A0A087WYL5_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession A0A087WYL5, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 923 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
1M34.5Very low34Very low256 Ų256146.2 Ų146.2100%1.26182%0.824SS**  0121.20-57.4166.4-173.400105.3
2G31.4Very low33.7Very low61 Ų61144.4 Ų144.463%0.62982%0.823SS**  cis134.872.813.500000108.5
3T30.1Very low33.5Very low136 Ų136147.7 Ų147.783%0.83483%0.827SS**  66.514690.961.60000115.4
4P49Very low33.1Very low110 Ų110149.5 Ų149.571%0.71483%0.833SS**  cis-144-176.2-39.441.5-23.9000114.5
5R31Very low33.1Very low233 Ų233150.1 Ų150.188%0.87983%0.833SS**  trans30130.1149-79.9-177.2168.8174.4-3.5122.9
6A29.9Very low32.6Very low91 Ų91152.6 Ų152.675%0.75283%0.833SS**  -158.7130.2126.700000107.6
7Q28.5Very low32.4Very low178 Ų178151.2 Ų151.283%0.83282%0.823SS**  77.3118.454.6-75.5-171.8-40.400115.4
8H37.1Very low32Very low195 Ų195150.1 Ų150.190%0.90382%0.815SS**  trans-75149.5170.4-76.8-80.9000112.5
9P31.6Very low31.6Very low113 Ų113150.2 Ų150.273%0.73481%0.814SS**  trans-110.4160.4151.74.717.1000113
10P34.9Very low31.2Very low118 Ų118149.9 Ų149.977%0.76681%0.811SS**  trans-90.1173.7-174.837.6-37.6000114.2
11P35.5Very low31.1Very low117 Ų117147 Ų14776%0.7680%0.802SS**  trans-81.8153.7-176.133.2-37.2000114.2
12P30.4Very low30.6Very low125 Ų125140.3 Ų140.381%0.81278%0.779SS**  trans-86.1114.5167.132.9-29.9000111.3
13Q31.2Very low31.4Very low187 Ų187142.7 Ų142.787%0.87478%0.784SS**  trans-72137.3153.3-72.5-174.5-9.400109
14L27.8Very low31.2Very low173 Ų173147.3 Ų147.391%0.90679%0.786SS**  trans-147.4118.1160.6-141.786.3000109.3
15L33.4Very low30.4Very low159 Ų159148 Ų14883%0.83278%0.783SS**  trans-142.892.4-175.6-165.6167.5000109.6
16F26Very low30.4Very low190 Ų190145.4 Ų145.483%0.83378%0.78SS**  trans-177.2146.9-179.6-93.4-32.1000107.6
17L27.7Very low30.3Very low128 Ų128144 Ų14467%0.6777%0.774SS**  cis-148.2138.4-3.5-92.3159.2000110.5
18I25.4Very low30.5Very low131 Ų131143.8 Ų143.867%0.67278%0.778SS**  trans25133.2131.8-46176.8000120.7
19L24.5Very low31.1Very low152 Ų152139.2 Ų139.280%0.79677%0.766SS**  trans149.6123.1135.1-79.1174.2000108.7
20L24.8Very low30.9Very low144 Ų144141.5 Ų141.575%0.75477%0.771SS**  63.5134.452.4-60.1174.2000114.2
21S27.5Very low30.5Very low91 Ų91142.9 Ų142.964%0.63677%0.765SS**  cis-172.1166.6-15.354.30000111.6
22C25.8Very low30.3Very low115 Ų115143.9 Ų143.978%0.77776%0.76SS**  trans66.3159.4157.4-65.50000118.8
23P46.6Very low30.3Very low111 Ų111145.5 Ų145.572%0.72176%0.756SS**  -133.6146.477.717.45.2000117.1
24W26.7Very low30.2Very low232 Ų232145.1 Ų145.188%0.87975%0.754SS**  trans71.6137.9147.5-62.915.2000117.5
25I31.6Very low30.1Very low126 Ų126144 Ų14465%0.64675%0.748SS**  cis-163.2155.21.9-116.7176000106
26Q30.9Very low30Very low177 Ų177143.6 Ų143.683%0.82775%0.746SS**  cis-149.2173.46.6-114.4165.28.900107.2
27G27.7Very low30.7Very low61 Ų61140.2 Ų140.263%0.62974%0.743SS**  cis145.7118.4-9.100000114.7
28L33.3Very low30.9Very low174 Ų174142 Ų14291%0.91175%0.747SS**  trans75.4153.4160.5-60.4170.7000119.7
29P48.9Very low32.2Very low100 Ų100141.5 Ų141.565%0.64975%0.753SS**  cis-140.1172.2-26.134.5-15000117.4
30L27.8Very low32.3Very low160 Ų160138.2 Ų138.284%0.83876%0.756SS**  trans105.9143.2150.5-58.1174.7000117.3
31K27.2Very low32.4Very low147 Ų147136.5 Ų136.564%0.63976%0.756SS**  cis-173.2124.5-22.8-173.4-178.5177.9-169.50109.8
32E31.4Very low32.4Very low139 Ų139141.3 Ų141.365%0.6577%0.768SS**  trans46.2177158.3-76.578.6-68.300119.2
33E29.4Very low32.4Very low159 Ų159142 Ų14274%0.74377%0.77SS**  cis-150120.6-11.2-115.9150.5-96.200103.8
34E29.1Very low32.7Very low179 Ų179142 Ų14284%0.83677%0.769SS**  78.5151.378.5-152.5178-127.500116.9
35I27.6Very low32.6Very low149 Ų149137.4 Ų137.476%0.76477%0.767SS**  trans111.3122.3157.3-57.9170.5000118.5
36L29.6Very low32.4Very low151 Ų151137.5 Ų137.579%0.79177%0.773SS**  trans-102.8172.9167.3-129.784.1000109
37P42Very low32.2Very low119 Ų119133.4 Ų133.477%0.77377%0.77SS**  cis-149.4-173.446.440.5-17.1000117.5
38E31.8Very low32.2Very low164 Ų164134.9 Ų134.977%0.76677%0.771SS**  trans-79.7-165.3167.7-32.8-17912700112.5
39P53Low31.9Very low121 Ų121135.4 Ų135.479%0.78677%0.768SS**  cis-130.6180-18.627-4.5000113.7
40G26Very low30.9Very low84 Ų84134 Ų13487%0.86677%0.765SS**  trans177.6142.9166.700000115.7
41S25.8Very low30.9Very low108 Ų108134.4 Ų134.476%0.75577%0.767SS**  trans-108.6143.8176.555.10000111.9
42E27.9Very low31Very low191 Ų191131.5 Ų131.589%0.89377%0.77SS**  trans175.2173.7132-98.6170.7-162.500112.7
43T25.8Very low31Very low131 Ų131132.4 Ų132.480%0.80478%0.775SS**  trans-122.7-172.6-174.253.80000110.5
44P53.7Low31.1Very low110 Ų110130.5 Ų130.571%0.71477%0.769SS**  -132.5153.4-61.336.7-21.1000114.3
45T25Very low31.1Very low135 Ų135128.1 Ų128.183%0.82876%0.761SS**  trans-152.5133.2157.438.80000108.7
46V26.3Very low31.2Very low128 Ų128129.2 Ų129.278%0.77676%0.763SS**  81105.650.2176.90000113.6
47A26.4Very low31.2Very low91 Ų91125.4 Ų125.475%0.75276%0.76SS**  trans62.9152.9156.200000118.9
48S28.1Very low30.7Very low93 Ų93124.4 Ų124.465%0.6576%0.762SS**  cis-170.7176.3-20.550.50000109.4
49E27.4Very low30.6Very low185 Ų185123.5 Ų123.586%0.86476%0.762SS**  trans70155.1159.6-66.3-177138.900118.5
50A28.6Very low29.6Very low70 Ų70123.4 Ų123.458%0.57975%0.754SS**  cis-171.3176.9-23.700000110.3
51L28.1Very low29.9Very low169 Ų169129.3 Ų129.389%0.88575%0.75SS**  trans67.8153.6165.6-65.3127.2000115.4
52A27.9Very low29.9Very low85 Ų85135 Ų13570%0.70276%0.755SS**  cis-170.5167.5-8.700000108
53E32.6Very low29.7Very low159 Ų159128.8 Ų128.874%0.74374%0.742SS**  cis-178.3-173.3-21-173.5-169.3-146.700105.8
54L29.9Very low31Very low119 Ų119127.5 Ų127.562%0.62374%0.736SS**  trans82.1138.6155.6-57.9175.1000117.5
55L29.1Very low30.1Very low128 Ų128130.7 Ų130.767%0.6774%0.742SS**  cis-149.2126.31.7-97.9136.7000112.4
56H29.4Very low30.2Very low172 Ų172132.6 Ų132.680%0.79674%0.743SS**  54.4153.6125.4-63.435.5000122
57G30.5Very low30.2Very low72 Ų72129.3 Ų129.374%0.74274%0.736SS**  cis157-179.7-4.700000114.3
58A31.7Very low30.2Very low97 Ų97136.1 Ų136.180%0.80274%0.743SS**  trans90.7146.5169.900000120.2
59L29.6Very low30.1Very low146 Ų146139.1 Ų139.176%0.76475%0.751SS**  cis-169.4138.4-15.7-103.4176.5000112.8
60L32.4Very low31.2Very low119 Ų119136.1 Ų136.162%0.62375%0.748SS**  trans68.2161.5149.8-55.5170.4000118.9
61R31Very low31.2Very low207 Ų207136.4 Ų136.478%0.78176%0.758SS**  cis-169.4174.2-0.7-118.3167.3-167.5157.16.2108.3
62R27.2Very low31.3Very low227 Ų227133.8 Ų133.886%0.85775%0.754SS**  cis-163.3169.9-8.5-160.3-171.4178176.8-0.7109
63G24.1Very low31.3Very low61 Ų61136.8 Ų136.863%0.62976%0.758SS**  trans-86-152.2166.700000115
64P52.1Low31.1Very low105 Ų105141 Ų14168%0.68277%0.767SS**  cis-149.2174.827.845.8-26.6000119.8
65E34.1Very low31.2Very low177 Ų177142.3 Ų142.383%0.82777%0.774SS**  trans49.2156.3139.9-70.4159.9-145.500122.2
66M27Very low31.7Very low174 Ų174141.1 Ų141.186%0.85777%0.774SS**  cis-164.1155.936.7-161.2179.1-62.900109.7
67G26.5Very low31.7Very low60 Ų60138.7 Ų138.762%0.61977%0.772SS**  cis150.9140.3-7.900000112
68Y26.4Very low31.7Very low234 Ų234143 Ų14392%0.91878%0.777SS**  trans-172.7146.2154-111.4-70.3000113.4
69L26.6Very low31.5Very low156 Ų156142 Ų14282%0.81777%0.769SS**  trans-162.1-178.4-175.1-79-179.5000108.7
70P51.1Low31.3Very low121 Ų121141.2 Ų141.279%0.78677%0.771SS**  cis-137.1-175.1-48.239.8-23.4000114.2
71G28.4Very low32Very low77 Ų77141.4 Ų141.479%0.79478%0.779SS**  trans102.3156.4155.200000117.3
72S28.9Very low33.2Very low114 Ų114137 Ų13780%0.79778%0.777SS**  cis-156.1167.4-4.465.90000113
73D28.1Very low33.4Very low148 Ų148131.4 Ų131.479%0.79178%0.779SS**  trans-20.9139.6174-47.1-43.2000120.4
74R29.3Very low33.6Very low247 Ų247132.4 Ų132.493%0.93279%0.789SS**  175.9132.5105.5-97.6173168.6-173.9-5.4115.4
75D30.9Very low32.7Very low146 Ų146136 Ų13678%0.78180%0.797SS**  trans-90.1163.2149.3-127.3-27000108.1
76P40.3Very low32.3Very low103 Ų103134 Ų13467%0.66980%0.797SS**  cis-152.3-174.449.440.4-17000118.6
77T28.7Very low32.6Very low121 Ų121132.8 Ų132.874%0.74279%0.793SS**  trans81.6115.4145.6380000124
78L30.6Very low32.7Very low163 Ų163133.8 Ų133.885%0.85380%0.796SS**  81.399.5121.1-144.579000123.2
79A28.2Very low32.8Very low77 Ų77128.8 Ų128.864%0.63679%0.79SS**  trans49.5116.1134.800000124.7
80T26.5Very low33.8Very low129 Ų129127 Ų12779%0.79179%0.788SS**  trans49.7156.1130.363.70000123.5
81P45.7Very low32.7Very low122 Ų122126.6 Ų126.679%0.79279%0.787SS**  cis-122.8-108.6-23.723.81.8000115.6
82P56.5Low32.8Very low114 Ų114130.5 Ų130.574%0.7479%0.789SS**  -130176.8-121.742.3-24.4000119.3
83A31.1Very low33.8Very low110 Ų110130.1 Ų130.191%0.90978%0.784SS**  trans77.8148.8156.500000121
84G29.6Very low33.9Very low82 Ų82134.9 Ų134.985%0.84579%0.791SS**  trans152.5126.9166.200000116
85Q31.6Very low34Very low180 Ų180127.4 Ų127.484%0.84178%0.782SS**  trans-107154.4-175.5-59164.8-21.200113.8
86T26.8Very low34Very low135 Ų135127.3 Ų127.383%0.82879%0.787SS**  trans179139141.814.10000108.7
87L32.2Very low33.5Very low149 Ų149130.9 Ų130.978%0.7880%0.795SS**  cis71.1135.834-63.6170.2000113.8
88A28.9Very low34.5Very low82 Ų82130.7 Ų130.768%0.67880%0.796SS**  cis-154.4157.918.800000112.1
89V28.3Very low34.3Very low128 Ų128126.1 Ų126.178%0.77679%0.788SS**  69.2150.687177.80000113.8
90P48.2Very low34.4Very low120 Ų120129.8 Ų129.878%0.77980%0.803SS**  cis-122.3-167.812.420.18.4000114.7
91S28.2Very low34.4Very low111 Ų111126.9 Ų126.978%0.77680%0.798SS**  cis-155.8179.929.462.70000117.2
92L30Very low34.6Very low160 Ų160126.5 Ų126.584%0.83880%0.796SS**  trans-132.4-170.2-173.4-108.179.9000109.2
93P50.8Low33.3Very low106 Ų106128.6 Ų128.669%0.68880%0.8SS**  cis-138.9-175.8-22.632.3-10.7000116
94R29.4Very low33.2Very low247 Ų247129.8 Ų129.893%0.93280%0.796SS**  133.5156.4121.5-155.6161-170.41505.1116.6
95A31.8Very low33.2Very low91 Ų91132.3 Ų132.375%0.75280%0.795SS**  trans-140173.7-167.600000113.8
96T29.9Very low33.2Very low143 Ų143128.5 Ų128.588%0.87780%0.795SS**  trans-153.5151.7172.9-12.10000113.6
97E31.3Very low33.3Very low178 Ų178128.8 Ų128.883%0.83280%0.796SS**  trans-113.9-151.6169.3-53.1-178.6116.400110.1
98P49.3Very low33.2Very low118 Ų118127.8 Ų127.877%0.76680%0.796SS**  -127170.7-61.926-6.9000115
99G26.5Very low34Very low67 Ų67129.5 Ų129.569%0.69180%0.8SS**  105.7144.2126.600000123.2
100T29.7Very low34.1Very low154 Ų154131.2 Ų131.295%0.94581%0.805SS**  trans79.2141.2153.3-3.40000121.5
101G27.4Very low33.1Very low68 Ų68128.7 Ų128.770%0.70180%0.801SS**  trans-98.4-142.9172.800000113.3
102P49.5Very low33.1Very low114 Ų114129.5 Ų129.574%0.7480%0.801SS**  cis-143.9-159.417.441.3-18.9000116.3
103L28.5Very low32.9Very low158 Ų158133.6 Ų133.683%0.82781%0.805SS**  trans79.4142.7168.6-62.9156.2000116.4
104T30.6Very low31.6Very low135 Ų135131.8 Ų131.883%0.82881%0.806SS**  cis-128-179.115.649.40000114.7
105T29.3Very low31.3Very low134 Ų134125.2 Ų125.282%0.82280%0.804SS**  trans-100.1139.1-170.3500000115.9
106A30Very low31.1Very low101 Ų101124 Ų12484%0.83580%0.801SS**  trans172.4159.6144.500000111.3
107V30Very low31.9Very low141 Ų141123 Ų12386%0.85580%0.797SS**  cis-157.1168.3-45.998.10000109.3
108T29.4Very low31.8Very low127 Ų127120.6 Ų120.678%0.77979%0.794SS**  trans-108.5-176.2-175.654.40000111.5
109P45.9Very low30.9Very low118 Ų118118.8 Ų118.877%0.76679%0.79SS**  cis-144.2-163.212.745.8-24.2000117.5
110N29.9Very low31.7Very low165 Ų165120.3 Ų120.388%0.88279%0.787SS**  trans-72.8154.8-176-50.9-34.8000116
111G27.2Very low31.7Very low66 Ų66121 Ų12168%0.6878%0.78SS**  120.5123.3113.200000121.9
112V28Very low31.8Very low128 Ų128124.2 Ų124.278%0.77678%0.78SS**  trans75.3133.2133.4178.30000120.9
113R25.8Very low30.9Very low246 Ų246126 Ų12693%0.92878%0.783SS**  trans66148.8173.4-67.6160.1-175.2-170.50.8115.6
114G23.8Very low30.8Very low69 Ų69124.8 Ų124.871%0.71178%0.782SS**  cis146.3129.8-2.500000111.6
115A24.7Very low31.5Very low108 Ų108123.6 Ų123.689%0.89378%0.777SS**  trans64.7153.1-17300000115.4
116G26Very low32.5Very low67 Ų67122.7 Ų122.769%0.69177%0.773SS**  cis95162.512.700000112.6
117P47.1Very low33.2Very low122 Ų122124 Ų12479%0.79277%0.773SS**  cis-95.6-133.3-2.3202.1000110.3
118T29.3Very low33.3Very low126 Ų126120.2 Ų120.277%0.77376%0.762SS**  cis-167166.75.3-11.50000106.6
119A29.7Very low33.4Very low81 Ų81120.7 Ų120.767%0.66977%0.765SS**  cis-160.3-179.6-3.200000108.3
120P44.7Very low32.6Very low99 Ų99122.1 Ų122.164%0.64377%0.772SS**  cis-131.1155.2-10.242-26.7000115
121E29.8Very low32.5Very low169 Ų169118.7 Ų118.779%0.7977%0.767SS**  60.9144.9126.4-66.3-172.299.100123.4
122L29.2Very low33Very low134 Ų134121.3 Ų121.370%0.70277%0.772SS**  cis-166.4164.8-15.1-161.369.5000110.8
123L29.4Very low33.6Very low151 Ų151120.7 Ų120.779%0.79177%0.77SS**  trans79.4165.1163.7-55.5-177.2000119.3
124T27.6Very low35.1Very low134 Ų134114.6 Ų114.682%0.82276%0.763SS**  trans-133.6-155.5-150.757.70000113.1
125P45.4Very low35.6Very low110 Ų110117.3 Ų117.371%0.71477%0.768SS**  -113.5-155.1-12940.6-19.7000112.8
126P49.7Very low35.8Very low115 Ų115117.6 Ų117.675%0.74776%0.763SS**  cis-104.7-141.6-40.642.6-29.1000108.1
127P45.1Very low37.3Very low128 Ų128120.1 Ų120.183%0.83177%0.767SS**  cis-122.7-133.3-2440.4-21.5000110.8
128G32.4Very low36.6Very low61 Ų61118.5 Ų118.563%0.62976%0.764SS**  trans-164.5162.2170.200000115.8
129T29.8Very low36.7Very low137 Ų137117.6 Ų117.684%0.8476%0.763SS**  trans-177.8151.2159.79.70000113.2
130T29.1Very low37.6Very low149 Ų149119.7 Ų119.791%0.91477%0.77SS**  trans68.1157.2163.239.80000122.5
131A28Very low36.8Very low93 Ų93118.6 Ų118.677%0.76978%0.776SS**  trans-109.7-163.5-168.800000112
132P37.7Very low37.4Very low121 Ų121116.2 Ų116.279%0.78678%0.776SS**  cis-120.7-140.8-5.140.6-19.3000110.6
133P41.1Very low38.3Very low114 Ų114115.1 Ų115.174%0.7478%0.777SS**  cis-131.3-176.3-12.941.9-23.1000115.8
134P57.9Low38.4Very low119 Ų119116.5 Ų116.577%0.77378%0.784SS**  trans-106.2167.5-175.240.5-35.2000116.3
135P33.2Very low38.4Very low125 Ų125113.3 Ų113.381%0.81278%0.778SS**  trans-141.2170.5151.540.2-25.7000116.3
136S30.3Very low38.4Very low114 Ų114113.4 Ų113.480%0.79778%0.778SS**  trans-118.4-158163.6-46.10000108.2
137P56.1Low37.7Very low120 Ų120117.2 Ų117.278%0.77979%0.786SS**  cis-137.9-152.2-13.739-16.6000113.4
138A32.3Very low37Very low88 Ų88114.9 Ų114.973%0.72779%0.786SS**  trans81.3150.8151.800000118.5
139S32.3Very low36.9Very low107 Ų107116 Ų11675%0.74880%0.797SS**  cis-176.5-166.1-4.5-1070000109.7
140P47.4Very low37.1Very low125 Ų125118.7 Ų118.781%0.81280%0.8SS**  cis-136-179.1-46.338.9-22.5000114.3
141G28.3Very low37.1Very low76 Ų76120.9 Ų120.978%0.78480%0.8SS**  trans162.690.4157.800000118.3
142P43.1Very low37.6Very low119 Ų119125.5 Ų125.577%0.77381%0.806SS**  trans-99.6162.9178.140.5-35.5000113.4
143P47.4Very low37.1Very low112 Ų112125.5 Ų125.573%0.72780%0.804SS**  -158.2156.590.940.2-20.4000119.4
144L32.2Very low37.1Very low179 Ų179126.7 Ų126.794%0.93781%0.809SS**  trans53.7139.1146.7-59.9164000121.2
145G28.2Very low35.8Very low68 Ų68125.9 Ų125.970%0.70180%0.802SS**  cis143.7159.51.800000110.8
146P45.5Very low36Very low111 Ų111125.8 Ų125.872%0.72180%0.799SS**  cis-129.5173.17.243.4-28000116.6
147E33.5Very low36.2Very low196 Ų196127 Ų12792%0.91680%0.795SS**  trans36.5137.3146.3-63.4170.5142.900122.4
148G31Very low35.4Very low79 Ų79128.1 Ų128.181%0.81479%0.793SS**  cis162-177.5-1.900000113
149G30.7Very low35.3Very low85 Ų85129.2 Ų129.288%0.87679%0.791SS**  trans104.3122.5168.200000115.9
150E33.5Very low35.2Very low193 Ų193129.1 Ų129.190%0.90279%0.786SS**  trans-100.9143.7169.7-62.2164.1125.600109.5
151E29.8Very low34.7Very low194 Ų194129.2 Ų129.291%0.90779%0.785SS**  trans169.2160.9130.8-94.8-176173.700111.6
152E36.9Very low34.8Very low191 Ų191130.9 Ų130.989%0.89378%0.78SS**  trans-80.7117.3-170.4-61-177.7123.100112.9
153T28.4Very low34.5Very low121 Ų121131.1 Ų131.174%0.74278%0.779SS**  trans-96.8106.3165.451.60000110.7T155T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact O-OG1 2.64Å
154T40.7Very low33.6Very low138 Ų138131 Ų13185%0.84778%0.776SS**  trans-6977.2170.4-46.40000110.6T156T154-T156 PolarHBondContact O-N 2.65Å
155T30.8Very low33.5Very low102 Ų102127.8 Ų127.863%0.62676%0.764SS**  trans-79.4107.7-178.8-530000109.9T153 I157T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 PolarHBondContact O-OG1 2.64Å; T155-I157 PolarHBondContact O-N 2.74Å
156T36.6Very low33.8Very low124 Ų124130.3 Ų130.376%0.76177%0.766SS**  trans-65.294.417048.50000110T154 I158T154-T156 PolarHBondContact O-N 2.65Å; T156-I158 PolarHBondContact O-N 2.92Å
157I34.7Very low33.1Very low138 Ų138131.7 Ų131.771%0.70877%0.772SS**  trans-67.6106.1171.1-61177.3000107.6T155 T159T155-I157 PolarHBondContact O-N 2.74Å; I157-T159 PolarHBondContact O-N 2.82Å
158I39.4Very low33.1Very low144 Ų144128 Ų12874%0.73876%0.763SS**  trans-70.590.7165.3-59.2175.6000106.4T156 T160T156-I158 PolarHBondContact O-N 2.92Å; I158-T160 HydrophobicContact CG2-CG2 4.46Å; I158-T160 PolarHBondContact O-N 3.44Å
159T31.6Very low33.2Very low112 Ų112128.7 Ų128.769%0.68776%0.756SS**  trans-68.887172.2-51.70000108.2I157 T161I157-T159 PolarHBondContact O-N 2.82Å; T159-T161 PolarHBondContact O-N 3.31Å
160T29.8Very low33.9Very low104 Ų104129.7 Ų129.764%0.63875%0.747SS**  trans-57.6109.7166.646.40000107.9I158 T162I158-T160 HydrophobicContact CG2-CG2 4.46Å; I158-T160 PolarHBondContact O-N 3.44Å; T160-T162 PolarHBondContact O-N 2.87Å
161T35.8Very low34.8Very low128 Ų128122.8 Ų122.879%0.78572%0.718SS**  trans-67.779.1169.1290000109T159 V163T159-T161 PolarHBondContact O-N 3.31Å; T161-V163 VanDerWaalsContact C-N 3.34Å; T161-V163 PolarHBondContact O-N 2.83Å
162T31.1Very low36.2Very low111 Ų111119.1 Ų119.168%0.68170%0.703SS**  trans-57.4104.5157.748.90000106.5T160 T164T160-T162 PolarHBondContact O-N 2.87Å; T162-T164 PolarHBondContact O-N 3.11Å; T162-T164 PolarHBondContact O-OG1 2.74Å
163V36.1Very low37.7Very low124 Ų124112.1 Ų112.175%0.75268%0.675SS**  trans-65.988.8167.1179.10000106T161 T165T161-V163 VanDerWaalsContact C-N 3.34Å; T161-V163 PolarHBondContact O-N 2.83Å; V163-T165 HydrophobicContact CG1-CG2 4.35Å; V163-T165 PolarHBondContact O-N 2.87Å
164T29.6Very low39.9Very low109 Ų109111.1 Ų111.167%0.66967%0.665SS**  trans-68.286.2171.6-50.30000106.3T162 T166T162-T164 PolarHBondContact O-N 3.11Å; T162-T164 PolarHBondContact O-OG1 2.74Å; T164-T166 VanDerWaalsContact C-N 3.35Å; T164-T166 PolarHBondContact O-N 2.9Å
165T29.6Very low41.7Very low112 Ų112108 Ų10869%0.68764%0.643SS**  trans-55.2104.516847.80000106.8V163 V167V163-T165 HydrophobicContact CG1-CG2 4.35Å; V163-T165 PolarHBondContact O-N 2.87Å; T165-V167 PolarHBondContact O-N 3.41Å
166T33.9Very low44.2Very low121 Ų121107.5 Ų107.574%0.74264%0.637SS**  trans-59.4110.1178.335.70000107.3T164 T168T164-T166 VanDerWaalsContact C-N 3.35Å; T164-T166 PolarHBondContact O-N 2.9Å; T166-T168 PolarHBondContact O-N 2.75Å
167V30.6Very low46.5Very low139 Ų139102.6 Ų102.684%0.84261%0.606SS**  trans-62.4108.2174.8177.80000106T165 S169T165-V167 PolarHBondContact O-N 3.41Å; V167-S169 PolarHBondContact O-N 2.7Å
168T33.4Very low48.9Very low119 Ų119100 Ų10073%0.7360%0.6SS**  trans-58.4109.9-172.15.70000109.4T166T166-T168 PolarHBondContact O-N 2.75Å
169S35.1Very low51Low94 Ų9499.4 Ų99.466%0.65759%0.594SS**  trans-57.7134168.251.60000108.4V167 V171V167-S169 PolarHBondContact O-N 2.7Å; S169-V171 PolarHBondContact O-N 3.04Å; S169-V171 VanDerWaalsContact O-N 3.14Å
170P44.6Very low53.2Low106 Ų10695.6 Ų95.669%0.68858%0.577SS**  trans-58.3123.5-178.724.4-33.8000109.7L172P170-L172 PolarHBondContact O-N 3.27Å
171V52.6Low56Low48 Ų4897.2 Ų97.229%0.29158%0.577SS.*  trans-61108.8-176.3174.80000109.7S169 C173 E185 P187S169-V171 PolarHBondContact O-N 3.04Å; S169-V171 VanDerWaalsContact O-N 3.14Å; V171-C173 PolarHBondContact O-N 2.9Å; V171-E185 WeakPolarHBondContact CG1-O 3.41Å; V171-E185 HydrophobicContact CG2-CB 4.49Å; V171-P187 HydrophobicContact CG1-CG 4.49Å
172L59.6Low58.6Low116 Ų11691.7 Ų91.761%0.60755%0.546SS*.  trans-80.9113.6-176.5-77.5161.3000110.6P170 N175 Y204P170-L172 PolarHBondContact O-N 3.27Å; L172-N175 HydrophobicContact CB-CB 4.47Å; L172-N175 WeakPolarHBondContact O-CB 3.32Å; L172-Y204 WeakPolarHBondContact O-CE1 3.48Å
173C68.6Low61.2Low44 Ų4491.8 Ų91.830%0.29754%0.535SS..SBendtrans-55.3135.2161.8-175.70000109.7V171 P187 D201 C202V171-C173 PolarHBondContact O-N 2.9Å; C173-P187 HydrophobicContact CB-CG 4.32Å; C173-D201 PolarHBondContact SG-O 2.83Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.41Å; C173-C202 WeakPolarHBondContact SG-CB 3.49Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.89Å
174N74.2Confident63.7Low100 Ų10086 Ų8654%0.53550%0.5SS..SBendtrans6356.7-173.2-60.3-37.8000114.6T203N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 3.01Å
175N78.2Confident66.2Low72 Ų7283.9 Ų83.939%0.38548%0.482SS..  trans-97.9152.4174-16313.4000112.8L172 Y204 S205L172-N175 HydrophobicContact CB-CB 4.47Å; L172-N175 WeakPolarHBondContact O-CB 3.32Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-S205 PolarHBondContact O-N 3.33Å
176N83.4Confident68.4Low93 Ų9380 Ų8050%0.49746%0.46SS..EExtended strand (participates in β ladder)trans-118.8114.2173.3-174.451.7000109.9S205N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.34Å; N176-S205 WeakPolarHBondContact OD1-CB 3.17Å; N176-S205 PolarHBondContact OD1-O 3.49Å; N176-S205 PolarHBondContact OD1-OG 2.92Å
177I84.6Confident70.2Confident20 Ų2075.3 Ų75.310%0.10343%0.431CS..EExtended strand (participates in β ladder)trans-108.9133-165.5-57.4171.2000108.5V184 S205 I206 H207 Y283I177-V184 HydrophobicContact CD1-CG2 3.81Å; I177-S205 PolarHBondContact N-O 2.62Å; I177-I206 HydrophobicContact CB-CG1 4.49Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.42Å; I177-H207 PolarHBondContact O-N 3.15Å; I177-Y283 HydrophobicContact CG2-CE1 4.14Å; I177-Y283 HydrophobicContact CG2-CE2 4.4Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.42Å
178S84.8Confident71.5Confident83 Ų8374.8 Ų74.858%0.5842%0.424SS*.  trans-133.417.5-174.460.80000114.6H207S178-H207 WeakPolarHBondContact CA-O 3.43Å
179E83.1Confident72.5Confident132 Ų13271.9 Ų71.962%0.61740%0.404SS*.  trans-83.1159.8176-64.9167.6158.200110.1
180G78.9Confident73.3Confident33 Ų3370.6 Ų70.634%0.3441%0.405SS..SBendtrans-76.9-22.1-177.700000114Q284 A285G180-Q284 CarbonylContact O-C 3.6Å; G180-A285 VanDerWaalsContact O-CB 3.31Å; G180-A285 WeakPolarHBondContact O-CB 3.5Å; G180-A285 PolarHBondContact O-N 3.44Å
181E88.8Confident73.4Confident137 Ų13768 Ų6864%0.6439%0.389SS*.EExtended strand (participates in β ladder)trans-153.4158.3-179.161.7-176.5-173.900109.5Y283 Q284E181-Y283 CarbonylContact C-O 3.5Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 2.85Å; E181-Q284 HydrophobicContact CB-CB 4.47Å
182G88.8Confident73.1Confident13 Ų1370.8 Ų70.813%0.13441%0.409CS..EExtended strand (participates in β ladder)trans157-158.117300000114.4H282 Y283G182-H282 CarbonylContact O-C 3.46Å; G182-H282 WeakPolarHBondContact O-CA 3.41Å; G182-H282 PolarHBondContact O-CD2 2.91Å; G182-Y283 VanDerWaalsContact C-CD1 3.4Å; G182-Y283 VanDerWaalsContact CA-CE1 3.49Å; G182-Y283 PolarHBondContact N-O 3.06Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.35Å; G182-Y283 PolarHBondContact O-N 3.25Å
183Y87.5Confident72.7Confident113 Ų11370.2 Ų70.244%0.44341%0.41SS..EExtended strand (participates in β ladder)trans-126.8138.8-175.1-59.4-82.8000111.9Q219 R280 I281 H282Y183-Q219 VanDerWaalsContact CE1-OE1 3.25Å; Y183-R280 HydrophobicContact CD1-CG 4.48Å; Y183-R280 VanDerWaalsContact CG-NH2 3.27Å; Y183-I281 CarbonylContact C-O 3.54Å; Y183-I281 WeakPolarHBondContact CA-O 3.42Å; Y183-H282 HydrophobicContact CD1-CB 4.01Å; Y183-H282 AromaticContact CD1-CD2 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.74Å; Y183-H282 AromaticContact CE1-CD2 3.37Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.31Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.52Å
184V87.3Confident71.7Confident3 Ų370.2 Ų70.22%0.01841%0.41CS..EExtended strand (participates in β ladder)trans-111.3126.9164.4-172.10000108.1I177 Y204 I206 L266 F279 I281 Y283I177-V184 HydrophobicContact CD1-CG2 3.81Å; V184-Y204 HydrophobicContact CG1-CD1 3.84Å; V184-Y204 HydrophobicContact CG1-CD2 3.81Å; V184-Y204 HydrophobicContact CG1-CE1 4.23Å; V184-Y204 HydrophobicContact CG1-CE2 4.2Å; V184-Y204 HydrophobicContact CG1-CG 3.61Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; V184-L266 HydrophobicContact CB-CD1 4.14Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.12Å; V184-F279 HydrophobicContact CG1-CE2 4.14Å; V184-I281 PolarHBondContact N-O 3.23Å; V184-I281 PolarHBondContact O-N 3.38Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å
185E82.9Confident70.5Confident63 Ų6375.2 Ų75.229%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-125.2153.6-174-60.8-176.5-141.500109.8V171 Y204 F279 R280V171-E185 WeakPolarHBondContact CG1-O 3.41Å; V171-E185 HydrophobicContact CG2-CB 4.49Å; E185-Y204 PolarHBondContact O-OH 3.36Å; E185-F279 WeakPolarHBondContact CA-O 3.41Å; E185-R280 HydrophobicContact CG-CG 4.24Å; E185-R280 IonicContact OE1-CZ 3.88Å; E185-R280 IonicContact OE1-NH1 3.39Å; E185-R280 PolarHBondContact OE1-NH1 2.78Å; E185-R280 IonicContact OE1-NH2 2.64Å; E185-R280 PolarHBondContact OE1-NH2 3.39Å; E185-R280 IonicContact OE2-CZ 3.88Å; E185-R280 IonicContact OE2-NH1 3.38Å; E185-R280 PolarHBondContact OE2-NH1 2.64Å
186S76Confident69Low30 Ų3077.8 Ų77.821%0.2144%0.44CS..  trans-67.2144.217147.20000111.6D188 G278 F279S186-D188 PolarHBondContact O-N 2.92Å; S186-G278 WeakPolarHBondContact OG-CA 3.35Å; S186-F279 PolarHBondContact N-O 3.32Å; S186-F279 VanDerWaalsContact N-O 3.07Å; S186-F279 PolarHBondContact OG-N 2.91Å; S186-F279 VanDerWaalsContact OG-N 3.14Å
187P70.4Confident67.5Low23 Ų2379.5 Ų79.515%0.14945%0.449CS..  trans-63.7130-175.4-23.834.8000114.7V171 C173 L189 Y204V171-P187 HydrophobicContact CG1-CG 4.49Å; C173-P187 HydrophobicContact CB-CG 4.32Å; P187-L189 PolarHBondContact O-N 2.92Å; P187-Y204 WeakPolarHBondContact CD-OH 3.24Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.37Å
188D59.5Low66.5Low128 Ų12881.3 Ų81.368%0.68447%0.472SS*.  trans-72.6105.1178.6-104-31.4000112.7S186 G190S186-D188 PolarHBondContact O-N 2.92Å; D188-G190 PolarHBondContact O-N 3.25Å; D188-G190 VanDerWaalsContact O-N 3.12Å
189L54.6Low65.4Low59 Ų5981.8 Ų81.831%0.30947%0.468SS..THydrogen-bonded Turntrans-81.718.3-176-68.2167.1000114.6P187 S191 P274P187-L189 PolarHBondContact O-N 2.92Å; L189-S191 VanDerWaalsContact C-N 3.27Å; L189-P274 VanDerWaalsContact CD1-CD 3.45Å; L189-P274 HydrophobicContact CD1-CG 4.13Å
190G51.3Low64.9Low67 Ų6777.3 Ų77.369%0.69145%0.448SS*.THydrogen-bonded Turntrans-69.4-23168.400000113.7D188D188-G190 PolarHBondContact O-N 3.25Å; D188-G190 VanDerWaalsContact O-N 3.12Å
191S47Very low64.8Low50 Ų5078.7 Ų78.735%0.3545%0.447SS..SBendtrans-67.5137.8-178.3-177.60000112.7L189 V193L189-S191 VanDerWaalsContact C-N 3.27Å; S191-V193 PolarHBondContact O-N 3.35Å; S191-V193 VanDerWaalsContact O-N 3.09Å
192P46.4Very low64.5Low108 Ų10872.2 Ų72.270%0.70142%0.417SS*.G310 helixtrans-66.9-11.3-177.327.1-35.7000114.7
193V49.7Very low64.2Low104 Ų10473.4 Ų73.463%0.6342%0.422SS*.G310 helixtrans-75.3-33.9-176.1-174.10000112.5S191 R195 T196S191-V193 PolarHBondContact O-N 3.35Å; S191-V193 VanDerWaalsContact O-N 3.09Å; V193-R195 VanDerWaalsContact C-N 3.25Å; V193-R195 PolarHBondContact O-N 2.8Å; V193-R195 VanDerWaalsContact O-N 3.15Å; V193-T196 PolarHBondContact O-OG1 2.71Å
194S47.9Very low64.2Low44 Ų4468.2 Ų68.231%0.30840%0.401SS..G310 helixtrans-81.69.3-168.7-50.50000115.4T196S194-T196 VanDerWaalsContact C-N 3.28Å; S194-T196 PolarHBondContact O-N 3.25Å
195R48.4Very low64.2Low205 Ų20569 Ų6977%0.77441%0.407SS*.G310 helixtrans-85.57.8-177.1-58.3-171.9-174.2-1642.3114.5V193V193-R195 VanDerWaalsContact C-N 3.25Å; V193-R195 PolarHBondContact O-N 2.8Å; V193-R195 VanDerWaalsContact O-N 3.15Å
196T48.2Very low64.5Low125 Ų12566 Ų6677%0.76739%0.393SS*.G310 helixtrans-123.6-3.8-17451.50000114.1V193 S194V193-T196 PolarHBondContact O-OG1 2.71Å; S194-T196 VanDerWaalsContact C-N 3.28Å; S194-T196 PolarHBondContact O-N 3.25Å
197L51.6Low65Low130 Ų13067.3 Ų67.368%0.68140%0.396SS*.  trans-104.2147.1178.5-75.9149.3000110.2
198G63.3Low65.8Low57 Ų5766.6 Ų66.659%0.58839%0.391SS*.  trans-91.8-108.3-179.600000111.6L200G198-L200 PolarHBondContact O-N 3.32Å
199L61.1Low67Low94 Ų9468.2 Ų68.249%0.49239%0.389SS..SBendtrans-59.1128.2173.4-179.4146.7000110.2D201 Q269 P271L199-D201 HydrophobicContact CD2-CB 3.99Å; L199-Q269 HydrophobicContact CD1-CG 4.37Å; L199-Q269 HydrophobicContact CD2-CG 4.17Å; L199-Q269 HydrophobicContact CG-CG 4.39Å; L199-P271 HydrophobicContact CD1-CB 4.3Å
200L72.4Confident68.2Low38 Ų3869 Ų6920%0.19940%0.398CS..EExtended strand (participates in β ladder)trans-96.9120.5176.8-173.472.8000108.4G198 F268 Q269 S270G198-L200 PolarHBondContact O-N 3.32Å; L200-F268 HydrophobicContact CD2-CE1 4.21Å; L200-Q269 WeakPolarHBondContact O-CA 3.39Å; L200-S270 PolarHBondContact N-O 3.03Å; L200-S270 PolarHBondContact O-N 2.85Å
201D78.1Confident69.3Low62 Ų6266 Ų6633%0.33237%0.366SS..EExtended strand (participates in β ladder)trans-126.1110.9177.2-169.7-52.9000108C173 L199 H267 Q269C173-D201 PolarHBondContact SG-O 2.83Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; L199-D201 HydrophobicContact CD2-CB 3.99Å; D201-H267 IonicContact OD1-CE1 2.75Å; D201-H267 PolarHBondContact OD1-CE1 2.89Å; D201-H267 IonicContact OD1-ND1 2.82Å; D201-H267 IonicContact OD2-CE1 3.45Å; D201-H267 PolarHBondContact OD2-CE1 2.92Å; D201-Q269 PolarHBondContact OD2-NE2 3.24Å
202C81.4Confident71.1Confident0 Ų068.2 Ų68.20%037%0.367CS..EExtended strand (participates in β ladder)trans-127.5121.4-174.3-60.30000110.8C173 Y204 F268C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.45Å; C173-C202 WeakPolarHBondContact SG-CA 3.41Å; C173-C202 WeakPolarHBondContact SG-CB 3.49Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.89Å; C202-Y204 HydrophobicContact CB-CE2 3.98Å; C202-F268 PolarHBondContact N-O 2.96Å; C202-F268 PolarHBondContact O-N 2.82Å
203T83.9Confident73Confident38 Ų3863.1 Ų63.123%0.23333%0.334CS..EExtended strand (participates in β ladder)trans-118.7104.2-178.1-610000109.5N174 L265 L266 H267N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 3.01Å; T203-L265 HydrophobicContact CG2-CD1 3.49Å; T203-L265 VanDerWaalsContact CG2-CD1 3.49Å; T203-L265 HydrophobicContact CG2-CD2 3.98Å; T203-L265 HydrophobicContact CG2-CG 3.69Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; T203-H267 PolarHBondContact OG1-ND1 2.04Å
204Y87.2Confident74.8Confident4 Ų458.1 Ų58.12%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-88.4125.1176.1-55.3-86.3000109.8L172 N175 V184 E185 P187 C202 L265 L266 F279L172-Y204 WeakPolarHBondContact O-CE1 3.48Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; V184-Y204 HydrophobicContact CG1-CD1 3.84Å; V184-Y204 HydrophobicContact CG1-CD2 3.81Å; V184-Y204 HydrophobicContact CG1-CE1 4.23Å; V184-Y204 HydrophobicContact CG1-CE2 4.2Å; V184-Y204 HydrophobicContact CG1-CG 3.61Å; E185-Y204 PolarHBondContact O-OH 3.36Å; P187-Y204 WeakPolarHBondContact CD-OH 3.24Å; P187-Y204 VanDerWaalsContact CG-OH 3.31Å; P187-Y204 WeakPolarHBondContact CG-OH 3.37Å; C202-Y204 HydrophobicContact CB-CE2 3.98Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 WeakPolarHBondContact O-CA 3.33Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 3.47Å; Y204-L266 PolarHBondContact O-N 2.75Å; Y204-F279 HydrophobicContact CD2-CZ 4.49Å; Y204-F279 AromaticContact CE2-CZ 3.97Å; Y204-F279 HydrophobicContact CE2-CZ 3.97Å
205S87.5Confident76.9Confident21 Ų2157 Ų5715%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-103.2127.2175.4173.30000108.9N175 N176 I177 H207N175-S205 PolarHBondContact O-N 3.33Å; N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.34Å; N176-S205 WeakPolarHBondContact OD1-CB 3.17Å; N176-S205 PolarHBondContact OD1-O 3.49Å; N176-S205 PolarHBondContact OD1-OG 2.92Å; I177-S205 PolarHBondContact N-O 2.62Å; S205-H207 PolarHBondContact OG-CE1 3.21Å; S205-H207 PolarHBondContact OG-ND1 2.78Å
206I88.4Confident78.9Confident0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-117129.2176.9-50.4174000107.6I177 V184 I214 R263 L264 L266 Y283I177-I206 HydrophobicContact CB-CG1 4.49Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.42Å; V184-I206 HydrophobicContact CG2-CD1 3.92Å; I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.21Å; I206-I214 HydrophobicContact CG2-CG2 4.26Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; I206-R263 WeakPolarHBondContact O-CA 3.48Å; I206-L264 HydrophobicContact CB-CB 4.38Å; I206-L264 PolarHBondContact N-O 3.25Å; I206-L264 PolarHBondContact O-N 2.75Å; I206-L266 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD1 4.22Å; I206-Y283 HydrophobicContact CD1-CD2 4.42Å; I206-Y283 HydrophobicContact CD1-CG 4.03Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 3.84Å; I206-Y283 HydrophobicContact CG2-CG 4.43Å
207H87.3Confident80.9Confident56 Ų5645.1 Ų45.126%0.25924%0.238SC..EExtended strand (participates in β ladder)trans-136.4106.7-172.8-76.211.2000111I177 S178 S205 R263I177-H207 PolarHBondContact O-N 3.15Å; S178-H207 WeakPolarHBondContact CA-O 3.43Å; S205-H207 PolarHBondContact OG-CE1 3.21Å; S205-H207 PolarHBondContact OG-ND1 2.78Å; H207-R263 PolarHBondContact NE2-NE 2.72Å
208V87Confident82.7Confident9 Ų939 Ų396%0.05521%0.206CC..PPolyproline II helixtrans-99.8170.7177.1-60.20000111.6I214 N262 A285V208-I214 HydrophobicContact CB-CG1 4.31Å; V208-I214 HydrophobicContact CG1-CD1 4.21Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.19Å; V208-I214 HydrophobicContact CG2-CG1 3.7Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.74Å; V208-N262 PolarHBondContact O-ND2 3.21Å; V208-A285 HydrophobicContact CB-CB 4.32Å; V208-A285 HydrophobicContact CG1-CB 4.01Å
209Y84.1Confident83.8Confident161 Ų16139.6 Ų39.663%0.63119%0.194SC*.PPolyproline II helixtrans-56.3144.8179.9-55.4-74.1000112.4Y212Y209-Y212 WeakPolarHBondContact O-CB 3.33Å; Y209-Y212 PolarHBondContact O-N 3.12Å
210P79.1Confident84.8Confident77 Ų7738.1 Ų38.150%0.519%0.189SC..THydrogen-bonded Turntrans-55.9141.2173.5-2434.4000111.6Y212P210-Y212 VanDerWaalsContact C-N 3.3Å
211G75.3Confident85.4Confident2 Ų237.9 Ų37.92%0.02119%0.188CC..THydrogen-bonded Turntrans85.1-7.6-169.400000114.9L288 G333G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 3.32Å; G211-G333 PolarHBondContact N-O 2.81Å
212Y83.9Confident85.4Confident98 Ų9839.6 Ų39.638%0.38420%0.197SC..EExtended strand (participates in β ladder)trans-111.3151.7170.6-65.8-101.4000110.8Y209 P210 N262 A285 Y286 L287 L288Y209-Y212 WeakPolarHBondContact O-CB 3.33Å; Y209-Y212 PolarHBondContact O-N 3.12Å; P210-Y212 VanDerWaalsContact C-N 3.3Å; Y212-N262 WeakPolarHBondContact O-CA 3.39Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.1Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; Y212-Y286 CarbonylContact C-O 3.5Å; Y212-Y286 VanDerWaalsContact CA-O 3.26Å; Y212-Y286 WeakPolarHBondContact CA-O 3.36Å; Y212-Y286 WeakPolarHBondContact CB-O 3.45Å; Y212-L287 HydrophobicContact CD1-CD1 4.09Å; Y212-L287 HydrophobicContact CD2-CD1 4.35Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 3.97Å; Y212-L287 HydrophobicContact CG-CD1 4.4Å; Y212-L288 VanDerWaalsContact O-CD1 3.28Å; Y212-L288 WeakPolarHBondContact O-CD1 3.21Å
213G86.1Confident85.2Confident0 Ų041.4 Ų41.40%021%0.206CC..EExtended strand (participates in β ladder)trans-116.3171.2174.100000109.4A285 Y286G213-A285 CarbonylContact O-C 3.6Å; G213-A285 WeakPolarHBondContact O-CA 3.11Å; G213-Y286 VanDerWaalsContact C-CD1 3.47Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.46Å; G213-Y286 PolarHBondContact O-N 2.95Å
214I89.5Confident84.6Confident0 Ų042.5 Ų42.50%022%0.215CC..EExtended strand (participates in β ladder)trans-111.8114.4-176.6-62.4152.2000108.5I206 V208 I216 S259 L264 Y283I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.21Å; I206-I214 HydrophobicContact CG2-CG2 4.26Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; V208-I214 HydrophobicContact CB-CG1 4.31Å; V208-I214 HydrophobicContact CG1-CD1 4.21Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.19Å; V208-I214 HydrophobicContact CG2-CG1 3.7Å; I214-I216 HydrophobicContact CG2-CG2 4.13Å; I214-S259 VanDerWaalsContact O-CB 3.31Å; I214-S259 WeakPolarHBondContact O-CB 3.21Å; I214-S259 PolarHBondContact O-N 2.97Å; I214-L264 HydrophobicContact CB-CB 4.1Å; I214-L264 HydrophobicContact CB-CD2 4.24Å; I214-L264 HydrophobicContact CD1-CB 3.67Å; I214-L264 HydrophobicContact CG2-CB 4.11Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å
215E90.3Very high83.7Confident20 Ų2052.3 Ų52.39%0.09326%0.261CS..EExtended strand (participates in β ladder)trans-87.4138.3165.2-176.2172.571.700108.2V256 L257 R258 Y283 Q284 Y286E215-V256 HydrophobicContact CG-CG1 3.56Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.44Å; E215-L257 CarbonylContact C-O 3.57Å; E215-L257 WeakPolarHBondContact CA-O 3.21Å; E215-R258 HydrophobicContact CB-CG 4.2Å; E215-R258 HydrophobicContact CG-CG 4.02Å; E215-R258 IonicContact OE2-CZ 3.84Å; E215-R258 IonicContact OE2-NE 3.17Å; E215-R258 PolarHBondContact OE2-NE 2.89Å; E215-R258 IonicContact OE2-NH2 2.74Å; E215-R258 PolarHBondContact OE2-NH2 2.94Å; E215-Y283 CarbonylContact O-C 3.57Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 2.99Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 2.91Å; E215-Q284 PolarHBondContact O-N 2.96Å; E215-Q284 PolarHBondContact OE1-NE2 3.45Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å
216I91.4Very high82.8Confident1 Ų155.9 Ų55.91%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-120.1144.1169.460.5168.1000110.4I214 V231 V256 L257 L264 L266 I281 H282I214-I216 HydrophobicContact CG2-CG2 4.13Å; I216-V231 HydrophobicContact CD1-CG1 3.76Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; I216-V256 CarbonylContact O-C 3.56Å; I216-V256 VanDerWaalsContact O-CA 3.3Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.25Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 3.36Å; I216-L257 PolarHBondContact O-N 3.01Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.42Å; I216-L264 HydrophobicContact CG2-CD2 3.39Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.37Å; I216-I281 HydrophobicContact CG2-CG2 3.9Å; I216-H282 CarbonylContact C-O 3.56Å; I216-H282 VanDerWaalsContact CA-O 3.3Å; I216-H282 WeakPolarHBondContact CA-O 3.46Å
217Q90.6Very high82.2Confident79 Ų7956.6 Ų56.637%0.36928%0.279SS..EExtended strand (participates in β ladder)trans-123.8120.6171.6-177.5-177.62300108.5Q219 Q255 V256 H282Q217-Q219 PolarHBondContact O-N 2.91Å; Q217-Q255 WeakPolarHBondContact CA-O 3.18Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.09Å; Q217-H282 HydrophobicContact CB-CB 4.41Å; Q217-H282 PolarHBondContact N-O 3.08Å; Q217-H282 PolarHBondContact O-N 2.83Å
218V89.4Confident81.9Confident1 Ų158.1 Ų58.11%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-72.2114.5174.9-178.40000108.3L221 L251 G252 G254 Q255V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CG 4.47Å; V218-L251 HydrophobicContact CG2-CD2 3.9Å; V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.36Å; V218-G252 WeakPolarHBondContact CG1-O 3.05Å; V218-G254 PolarHBondContact O-N 2.71Å; V218-Q255 HydrophobicContact CG2-CB 4.38Å; V218-Q255 PolarHBondContact N-O 2.86Å
219Q86.3Confident81.8Confident70 Ų7057.7 Ų57.733%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-90.7-46.9177.4-66.2-165.4-38.800111.6Y183 Q217 R280 H282Y183-Q219 VanDerWaalsContact CE1-OE1 3.25Å; Q217-Q219 PolarHBondContact O-N 2.91Å; Q219-R280 WeakPolarHBondContact CA-O 3.2Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.33Å; Q219-R280 PolarHBondContact N-O 3.47Å; Q219-H282 HydrophobicContact CG-CB 4.08Å
220T81.4Confident81.9Confident64 Ų6451.5 Ų51.539%0.39326%0.262SS..EExtended strand (participates in β ladder)trans-137.1145.7170.865.50000111.4E253 F279 R280T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; T220-F279 WeakPolarHBondContact O-CA 3.46Å; T220-R280 PolarHBondContact N-O 2.99Å; T220-R280 VanDerWaalsContact N-O 3.14Å; T220-R280 PolarHBondContact O-N 2.89Å; T220-R280 VanDerWaalsContact OG1-CB 3.25Å; T220-R280 WeakPolarHBondContact OG1-CB 3.28Å; T220-R280 PolarHBondContact OG1-N 2.88Å
221L84.4Confident82.3Confident32 Ų3247.9 Ų47.917%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-148.486.9-177.5-169.973.5000111.8V218 L223 L229 L251 E253 F279V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CG 4.47Å; L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.4Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L221-L229 HydrophobicContact CD1-CD2 3.89Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.55Å; L221-L251 VanDerWaalsContact CD2-O 3.28Å; L221-L251 WeakPolarHBondContact CD2-O 3.31Å; L221-E253 HydrophobicContact CB-CG 4.18Å; L221-E253 PolarHBondContact N-OE1 2.91Å; L221-F279 HydrophobicContact CD1-CB 4.05Å
222N79.6Confident82.7Confident98 Ų9849 Ų4952%0.52424%0.243SC..EExtended strand (participates in β ladder)trans-110.878.1177.8-174.720.1000110.1G276 G277 G278N222-G276 PolarHBondContact ND2-O 3.43Å; N222-G277 CarbonylContact O-C 3.58Å; N222-G277 WeakPolarHBondContact O-CA 3.25Å; N222-G278 PolarHBondContact N-O 2.89Å; N222-G278 PolarHBondContact O-N 2.6Å
223L76.8Confident82.6Confident39 Ų3944.4 Ų44.420%0.20423%0.225CC..  trans-100.3140.7179.2-58.9-176.5000111.3L221 E227 L229 F268 F279L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.4Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L223-E227 HydrophobicContact CB-CB 4.47Å; L223-L229 HydrophobicContact CD1-CB 3.72Å; L223-L229 HydrophobicContact CD1-CD2 4.34Å; L223-F268 HydrophobicContact CD2-CE2 3.86Å; L223-F279 HydrophobicContact CD2-CD1 4.46Å
224S71.9Confident81.8Confident60 Ų6045 Ų4542%0.4223%0.232SC..  trans-84.2165.9172.770.50000112.7E226 E227S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.02Å; S224-E227 PolarHBondContact N-OE2 2.99Å; S224-E227 PolarHBondContact O-N 2.88Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.08Å; S224-E227 PolarHBondContact OG-OE2 2.86Å
225Q66.6Low80.4Confident210 Ų21045.8 Ų45.898%0.98124%0.24SC*.THydrogen-bonded Turntrans-65.2-10.5-178.3-67.3-176.6-7.600114.9
226E68.6Low78.7Confident97 Ų9745.7 Ų45.745%0.45324%0.244SC..THydrogen-bonded Turntrans-100.22.6174.7-64.6-176.7167.700112.2S224 P271 R272S224-E226 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact O-N 3.08Å; E226-P271 HydrophobicContact CB-CG 3.81Å; E226-P271 WeakPolarHBondContact O-CD 3.46Å; E226-P271 WeakPolarHBondContact O-CG 3.11Å; E226-R272 IonicContact OE1-CZ 3.32Å; E226-R272 IonicContact OE1-NH1 3.54Å; E226-R272 PolarHBondContact OE1-NH1 2.93Å; E226-R272 IonicContact OE1-NH2 3.4Å; E226-R272 PolarHBondContact OE1-NH2 2.86Å; E226-R272 IonicContact OE2-CZ 3.61Å; E226-R272 IonicContact OE2-NE 3.89Å; E226-R272 IonicContact OE2-NH1 3.18Å; E226-R272 PolarHBondContact OE2-NH1 2.79Å; E226-R272 IonicContact OE2-NH2 2.68Å
227E76.7Confident76.9Confident15 Ų1549.1 Ų49.17%0.0727%0.268CS..  trans-113.4135.1-173.9-70.6173.6128.400112.6L223 S224 F268 Q269 S270 P274L223-E227 HydrophobicContact CB-CB 4.47Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.02Å; S224-E227 PolarHBondContact N-OE2 2.99Å; S224-E227 PolarHBondContact O-N 2.88Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 WeakPolarHBondContact OG-CG 3.08Å; S224-E227 PolarHBondContact OG-OE2 2.86Å; E227-F268 HydrophobicContact CB-CE2 4.3Å; E227-Q269 WeakPolarHBondContact CA-O 3.2Å; E227-S270 WeakPolarHBondContact CG-OG 3.48Å; E227-S270 WeakPolarHBondContact OE1-CB 3.35Å; E227-S270 PolarHBondContact OE1-OG 3.31Å; E227-P274 WeakPolarHBondContact OE1-CG 3.38Å
228E81.3Confident74.7Confident87 Ų8752.1 Ų52.141%0.40729%0.294SS..EExtended strand (participates in β ladder)trans-121.5138.9-178.9-170.9167.1-145.800111.5L230 F268 Q269E228-L230 HydrophobicContact CG-CD2 3.9Å; E228-L230 HydrophobicContact CG-CG 4.06Å; E228-F268 WeakPolarHBondContact O-CA 3.42Å; E228-F268 WeakPolarHBondContact O-CD2 3.28Å; E228-Q269 PolarHBondContact N-O 3.41Å; E228-Q269 PolarHBondContact O-N 2.98Å
229L85Confident73Confident0 Ų056.1 Ų56.10%034%0.336CS..EExtended strand (participates in β ladder)trans-131.3119.8175-179.462.7000108.8L221 L223 N247 S248 L251 H267 F268 F279 I281L221-L229 HydrophobicContact CD1-CD2 3.89Å; L223-L229 HydrophobicContact CD1-CB 3.72Å; L223-L229 HydrophobicContact CD1-CD2 4.34Å; L229-N247 CarbonylContact O-C 3.36Å; L229-S248 PolarHBondContact O-N 2.8Å; L229-L251 HydrophobicContact CB-CD1 4.45Å; L229-L251 HydrophobicContact CD2-CD1 4.01Å; L229-L251 HydrophobicContact CG-CD1 4.09Å; L229-H267 WeakPolarHBondContact CA-O 3.47Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.95Å; L229-F268 HydrophobicContact CD1-CD2 4.35Å; L229-F279 HydrophobicContact CD1-CE1 4.27Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.43Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.39Å; L229-F279 HydrophobicContact CD2-CG 4.12Å; L229-I281 HydrophobicContact CD2-CD1 4.15Å
230L86.3Confident71.7Confident32 Ų3258.3 Ų58.317%0.16835%0.35CS..EExtended strand (participates in β ladder)trans-116.3129.6-178-58.5-178.2000110.8E228 L232 L244 N247 L266 H267E228-L230 HydrophobicContact CG-CD2 3.9Å; E228-L230 HydrophobicContact CG-CG 4.06Å; L230-L232 HydrophobicContact CB-CD1 4.24Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L230-L244 HydrophobicContact CB-CD1 4.11Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L230-N247 HydrophobicContact CD2-CB 3.78Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; L230-H267 HydrophobicContact CB-CB 4.43Å; L230-H267 PolarHBondContact N-O 3.06Å; L230-H267 PolarHBondContact O-N 2.96Å
231V86.3Confident70.7Confident0 Ų059.1 Ų59.10%036%0.363CS..EExtended strand (participates in β ladder)trans-100.7117.1174.5-175.90000108.6I216 L245 A246 L251 L257 L264 L266I216-V231 HydrophobicContact CD1-CG1 3.76Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.12Å; V231-L245 HydrophobicContact CG1-CD1 4.18Å; V231-L245 PolarHBondContact O-N 2.89Å; V231-A246 HydrophobicContact CB-CB 4.32Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 3.19Å; V231-A246 PolarHBondContact O-N 3.16Å; V231-L251 HydrophobicContact CG2-CD1 4.06Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; V231-L257 HydrophobicContact CG2-CD1 4.4Å; V231-L264 HydrophobicContact CG1-CD1 3.69Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.46Å; V231-L266 HydrophobicContact CB-CD2 4.29Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å
232L85.4Confident70Confident26 Ų2660.8 Ų60.814%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-127.7115.8-166.7-77.1161.5000110.9L230 G234 P242 R243 L244 L265 H267L230-L232 HydrophobicContact CB-CD1 4.24Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L232-G234 PolarHBondContact O-N 3.15Å; L232-P242 HydrophobicContact CB-CB 4.19Å; L232-P242 HydrophobicContact CD2-CB 4.17Å; L232-P242 HydrophobicContact CD2-CG 4.34Å; L232-R243 CarbonylContact C-O 3.57Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; L232-L244 HydrophobicContact CD2-CB 4.22Å; L232-L244 HydrophobicContact CD2-CD1 4.07Å; L232-L244 HydrophobicContact CG-CD1 4.37Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 HydrophobicContact CB-CD2 4.5Å; L232-L265 WeakPolarHBondContact CB-O 3.39Å; L232-L265 HydrophobicContact CD1-CD2 4.33Å; L232-L265 PolarHBondContact N-O 3.18Å; L232-L265 WeakPolarHBondContact O-CB 3.45Å; L232-L265 PolarHBondContact O-N 2.74Å; L232-H267 HydrophobicContact CD1-CB 4.19Å
233A80.1Confident70Confident1 Ų164 Ų641%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-69.7124173.200000110.5P242 R243 L245 P260A233-P242 WeakPolarHBondContact O-CA 3.28Å; A233-R243 HydrophobicContact CB-CB 4.45Å; A233-R243 PolarHBondContact N-O 2.85Å; A233-R243 PolarHBondContact O-N 3.42Å; A233-L245 HydrophobicContact CB-CD1 4.04Å; A233-L245 HydrophobicContact CB-CD2 3.99Å; A233-L245 HydrophobicContact CB-CG 4.01Å; A233-P260 HydrophobicContact CB-CG 4.45Å
234G69.8Low70.3Confident14 Ų1466.4 Ų66.414%0.14439%0.393CS..PPolyproline II helixtrans-66.9132.6176.400000111.2L232 T261 R263L232-G234 PolarHBondContact O-N 3.15Å; G234-T261 WeakPolarHBondContact O-CG2 3.43Å; G234-T261 PolarHBondContact O-OG1 2.88Å; G234-R263 PolarHBondContact N-O 2.95Å
235G61.1Low70.8Confident15 Ų1565.5 Ų65.516%0.15538%0.383CS..PPolyproline II helixtrans-59.4135.1179.400000112.4S237G235-S237 PolarHBondContact O-N 3.47Å
236G53.8Low71.5Confident18 Ų1855.6 Ų55.619%0.18634%0.337CS..SBendtrans-70.3-12.9-177.400000115T334G236-T334 WeakPolarHBondContact CA-OG1 3.49Å; G236-T334 PolarHBondContact O-OG1 2.77Å
237S52.7Low72.2Confident74 Ų7453 Ų5352%0.51733%0.326SS..SBendtrans-131.1145.3-177.7-49.40000110G235 G239 L240G235-S237 PolarHBondContact O-N 3.47Å; S237-G239 PolarHBondContact O-N 2.84Å; S237-L240 PolarHBondContact O-N 2.9Å
238P45.6Very low72.2Confident141 Ų14154.2 Ų54.292%0.91634%0.336SS*.THydrogen-bonded Turntrans-63.3122.7179.526.6-34000111
239G53.9Low72Confident86 Ų8654.7 Ų54.789%0.88735%0.35SS*.THydrogen-bonded Turntrans104-7.9178.300000115.8S237S237-G239 PolarHBondContact O-N 2.84Å
240L57.6Low71.5Confident116 Ų11660.6 Ų60.661%0.60738%0.378SS*.PPolyproline II helixtrans-80132.8172.3-133.678.5000111S237S237-L240 PolarHBondContact O-N 2.9Å
241A60.4Low71.2Confident81 Ų8159.9 Ų59.967%0.66938%0.375SS*.PPolyproline II helixtrans-62145.8176.300000111.7
242P70.6Confident70.9Confident67 Ų6761.2 Ų61.244%0.43539%0.389SS..PPolyproline II helixtrans-66.6141.117828.4-34.5000111.3L232 A233L232-P242 HydrophobicContact CB-CB 4.19Å; L232-P242 HydrophobicContact CD2-CB 4.17Å; L232-P242 HydrophobicContact CD2-CG 4.34Å; A233-P242 WeakPolarHBondContact O-CA 3.28Å
243R79.9Confident70.8Confident166 Ų16666.2 Ų66.263%0.62641%0.411SS*.EExtended strand (participates in β ladder)trans-93.7124.7180171.2177.7170.8-179.3-2.1110.1L232 A233 L245L232-R243 CarbonylContact C-O 3.57Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; A233-R243 HydrophobicContact CB-CB 4.45Å; A233-R243 PolarHBondContact N-O 2.85Å; A233-R243 PolarHBondContact O-N 3.42Å; R243-L245 PolarHBondContact O-N 2.79Å
244L82.5Confident70.8Confident89 Ų8968.5 Ų68.547%0.46644%0.436SS..EExtended strand (participates in β ladder)trans-61.2130.5171.3-169.768.6000110.7L230 L232 A246L230-L244 HydrophobicContact CB-CD1 4.11Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L232-L244 HydrophobicContact CD2-CB 4.22Å; L232-L244 HydrophobicContact CD2-CD1 4.07Å; L232-L244 HydrophobicContact CG-CD1 4.37Å; L244-A246 WeakPolarHBondContact CD1-O 3.19Å
245L82.6Confident71.5Confident40 Ų4072 Ų7221%0.20945%0.448CS..EExtended strand (participates in β ladder)trans-104.1-42.9173.1-60.6-176.4000111.2V231 A233 R243 L264V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.12Å; V231-L245 HydrophobicContact CG1-CD1 4.18Å; V231-L245 PolarHBondContact O-N 2.89Å; A233-L245 HydrophobicContact CB-CD1 4.04Å; A233-L245 HydrophobicContact CB-CD2 3.99Å; A233-L245 HydrophobicContact CB-CG 4.01Å; R243-L245 PolarHBondContact O-N 2.79Å; L245-L264 HydrophobicContact CD1-CD1 3.98Å
246A81.8Confident72.8Confident2 Ų274 Ų742%0.01746%0.457CS..EExtended strand (participates in β ladder)trans-154.7153176.800000111.1V231 L244 M250 L251 L257V231-A246 HydrophobicContact CB-CB 4.32Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 3.19Å; V231-A246 PolarHBondContact O-N 3.16Å; L244-A246 WeakPolarHBondContact CD1-O 3.19Å; A246-M250 HydrophobicContact CB-CB 4.13Å; A246-L251 HydrophobicContact CB-CD2 4.1Å; A246-L251 HydrophobicContact CB-CG 4.24Å; A246-L257 HydrophobicContact CB-CD1 3.5Å; A246-L257 VanDerWaalsContact CB-CD1 3.5Å; A246-L257 HydrophobicContact CB-CD2 4.48Å
247N83.9Confident74.3Confident43 Ų4374.8 Ų74.823%0.2346%0.457CS..  trans-111.6178.4168.972.9-13.7000110.5L229 L230 S249 M250 L251L229-N247 CarbonylContact O-C 3.36Å; L230-N247 HydrophobicContact CD2-CB 3.78Å; N247-S249 PolarHBondContact ND2-OG 3.03Å; N247-S249 PolarHBondContact O-N 2.88Å; N247-S249 VanDerWaalsContact O-N 3.15Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.03Å; N247-M250 PolarHBondContact O-N 2.97Å; N247-M250 WeakPolarHBondContact OD1-CG 3.08Å; N247-M250 PolarHBondContact OD1-N 2.89Å; N247-L251 WeakPolarHBondContact O-CG 3.32Å; N247-L251 PolarHBondContact O-N 2.89Å
248S76.2Confident76Confident40 Ų4078.5 Ų78.528%0.2846%0.46SS..G310 helixtrans-55-33-18051.80000114.1L229 M250L229-S248 PolarHBondContact O-N 2.8Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.86Å
249S77Confident77.9Confident98 Ų9871.9 Ų71.969%0.68542%0.416SS*.G310 helixtrans-76.4-12.7176.6580000115.4N247N247-S249 PolarHBondContact ND2-OG 3.03Å; N247-S249 PolarHBondContact O-N 2.88Å; N247-S249 VanDerWaalsContact O-N 3.15Å; N247-S249 PolarHBondContact OD1-N 3.32Å; N247-S249 PolarHBondContact OD1-OG 3.03Å
250M74.8Confident79.2Confident123 Ų12370 Ų7061%0.60639%0.389SS*.G310 helixtrans-106.63.3177.7-68.9178.867.400112.8A246 N247 S248A246-M250 HydrophobicContact CB-CB 4.13Å; N247-M250 PolarHBondContact O-N 2.97Å; N247-M250 WeakPolarHBondContact OD1-CG 3.08Å; N247-M250 PolarHBondContact OD1-N 2.89Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.86Å
251L78.6Confident80.5Confident17 Ų1764.5 Ų64.59%0.08936%0.36CS..  trans-104.8138176.8-65.9165.7000109V218 L221 L229 V231 A246 N247 L257V218-L251 HydrophobicContact CG2-CD2 3.9Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.55Å; L221-L251 VanDerWaalsContact CD2-O 3.28Å; L221-L251 WeakPolarHBondContact CD2-O 3.31Å; L229-L251 HydrophobicContact CB-CD1 4.45Å; L229-L251 HydrophobicContact CD2-CD1 4.01Å; L229-L251 HydrophobicContact CG-CD1 4.09Å; V231-L251 HydrophobicContact CG2-CD1 4.06Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; A246-L251 HydrophobicContact CB-CD2 4.1Å; A246-L251 HydrophobicContact CB-CG 4.24Å; N247-L251 WeakPolarHBondContact O-CG 3.32Å; N247-L251 PolarHBondContact O-N 2.89Å; L251-L257 HydrophobicContact CD2-CD1 3.54Å
252G81.9Confident81.7Confident29 Ų2961.2 Ų61.230%0.29933%0.331SS..  trans-153.9161.2176.300000109.8V218 G254 Q255V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.36Å; V218-G252 WeakPolarHBondContact CG1-O 3.05Å; G252-G254 PolarHBondContact O-N 2.82Å; G252-Q255 WeakPolarHBondContact O-CB 3.36Å; G252-Q255 PolarHBondContact O-N 3.29Å
253E82.9Confident82.5Confident130 Ų13063 Ų6361%0.60733%0.329SS*.THydrogen-bonded Turntrans-64.3133.5-177.6-59-172.815500110.8T220 L221 Q255T220-E253 WeakPolarHBondContact CA-OE1 3.44Å; L221-E253 HydrophobicContact CB-CG 4.18Å; L221-E253 PolarHBondContact N-OE1 2.91Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 2.82Å
254G79.9Confident82.9Confident50 Ų5055.2 Ų55.252%0.51530%0.3SS..THydrogen-bonded Turntrans82.7-9.6-17000000115.4V218 G252 V256V218-G254 PolarHBondContact O-N 2.71Å; G252-G254 PolarHBondContact O-N 2.82Å; G254-V256 PolarHBondContact O-N 2.87Å
255Q84.6Confident83.2Confident87 Ų8753.2 Ų53.241%0.40729%0.289SS..  trans-64.7130.5179.2-175.86154.200111.3Q217 V218 G252 E253 L257Q217-Q255 WeakPolarHBondContact CA-O 3.18Å; V218-Q255 HydrophobicContact CG2-CB 4.38Å; V218-Q255 PolarHBondContact N-O 2.86Å; G252-Q255 WeakPolarHBondContact O-CB 3.36Å; G252-Q255 PolarHBondContact O-N 3.29Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 2.82Å; Q255-L257 HydrophobicContact CG-CG 4.41Å
256V87.5Confident83.5Confident57 Ų5751.3 Ų51.335%0.34528%0.279SS..EExtended strand (participates in β ladder)trans-106.3139174.4-178.70000110.1E215 I216 Q217 G254E215-V256 HydrophobicContact CG-CG1 3.56Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.44Å; I216-V256 CarbonylContact O-C 3.56Å; I216-V256 VanDerWaalsContact O-CA 3.3Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.09Å; G254-V256 PolarHBondContact O-N 2.87Å
257L86.2Confident83.8Confident34 Ų3453.2 Ų53.218%0.17829%0.288CS..EExtended strand (participates in β ladder)trans-138138.8176.1-65.9168000110.2E215 I216 V231 A246 L251 Q255E215-L257 CarbonylContact C-O 3.57Å; E215-L257 WeakPolarHBondContact CA-O 3.21Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.25Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 3.36Å; I216-L257 PolarHBondContact O-N 3.01Å; V231-L257 HydrophobicContact CG2-CD1 4.4Å; A246-L257 HydrophobicContact CB-CD1 3.5Å; A246-L257 VanDerWaalsContact CB-CD1 3.5Å; A246-L257 HydrophobicContact CB-CD2 4.48Å; L251-L257 HydrophobicContact CD2-CD1 3.54Å; Q255-L257 HydrophobicContact CG-CG 4.41Å
258R87.6Confident83.8Confident153 Ų15351.4 Ų51.458%0.57728%0.278SS*.EExtended strand (participates in β ladder)trans-111.4123.4179.1-70.6-177-179.6-166.6-8.9111.4E215 P260 Y286E215-R258 HydrophobicContact CB-CG 4.2Å; E215-R258 HydrophobicContact CG-CG 4.02Å; E215-R258 IonicContact OE2-CZ 3.84Å; E215-R258 IonicContact OE2-NE 3.17Å; E215-R258 PolarHBondContact OE2-NE 2.89Å; E215-R258 IonicContact OE2-NH2 2.74Å; E215-R258 PolarHBondContact OE2-NH2 2.94Å; R258-P260 WeakPolarHBondContact O-CD 3.28Å; R258-Y286 HydrophobicContact CB-CE1 3.83Å; R258-Y286 HydrophobicContact CG-CD1 4.44Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å
259S84.9Confident84.1Confident1 Ų152.9 Ų52.91%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-77.1120.9172.6-1710000110.5I214 T261 R263 Y286I214-S259 VanDerWaalsContact O-CB 3.31Å; I214-S259 WeakPolarHBondContact O-CB 3.21Å; I214-S259 PolarHBondContact O-N 2.97Å; S259-T261 PolarHBondContact O-N 3.16Å; S259-T261 PolarHBondContact OG-O 2.99Å; S259-R263 PolarHBondContact OG-O 2.86Å; S259-Y286 PolarHBondContact O-OH 3.05Å
260P81.8Confident84.1Confident48 Ų4848.3 Ų48.331%0.31225%0.248SC..SBendtrans-75.822.9177.635.6-38.4000112.6A233 R258 R335A233-P260 HydrophobicContact CB-CG 4.45Å; R258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-R335 WeakPolarHBondContact O-CG 3.04Å
261T86Confident83.7Confident0 Ų045 Ų450%024%0.236CC..SBendtrans-147.6158.8172.958.80000110.8G234 S259 R263 T334 R335G234-T261 WeakPolarHBondContact O-CG2 3.43Å; G234-T261 PolarHBondContact O-OG1 2.88Å; S259-T261 PolarHBondContact O-N 3.16Å; S259-T261 PolarHBondContact OG-O 2.99Å; T261-R263 PolarHBondContact O-N 2.91Å; T261-R263 PolarHBondContact OG1-O 3.3Å; T261-T334 WeakPolarHBondContact CA-O 3.41Å; T261-T334 WeakPolarHBondContact CB-O 3.47Å; T261-R335 HydrophobicContact CG2-CG 3.68Å
262N85.6Confident83Confident12 Ų1251.9 Ų51.96%0.06426%0.261CS..SBendtrans-67.910.1173.583.1-51000114.8V208 Y212 T334V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.74Å; V208-N262 PolarHBondContact O-ND2 3.21Å; Y212-N262 WeakPolarHBondContact O-CA 3.39Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.1Å; N262-T334 PolarHBondContact N-O 2.87Å; N262-T334 WeakPolarHBondContact OD1-CA 3.39Å; N262-T334 WeakPolarHBondContact OD1-CB 3.34Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.37Å
263R87.2Confident81.8Confident105 Ų10555.5 Ų55.540%0.39628%0.277SS..EExtended strand (participates in β ladder)trans-134.7123.5-177.8-66.7-173.2163.9164.4-2.9110.4I206 H207 G234 S259 T261I206-R263 WeakPolarHBondContact O-CA 3.48Å; H207-R263 PolarHBondContact NE2-NE 2.72Å; G234-R263 PolarHBondContact N-O 2.95Å; S259-R263 PolarHBondContact OG-O 2.86Å; T261-R263 PolarHBondContact O-N 2.91Å; T261-R263 PolarHBondContact OG1-O 3.3Å
264L88.2Confident80.3Confident2 Ų251 Ų511%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-123.1144174.1-17259.1000109.1I206 I214 I216 V231 L245 L266I206-L264 HydrophobicContact CB-CB 4.38Å; I206-L264 PolarHBondContact N-O 3.25Å; I206-L264 PolarHBondContact O-N 2.75Å; I214-L264 HydrophobicContact CB-CB 4.1Å; I214-L264 HydrophobicContact CB-CD2 4.24Å; I214-L264 HydrophobicContact CD1-CB 3.67Å; I214-L264 HydrophobicContact CG2-CB 4.11Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.42Å; I216-L264 HydrophobicContact CG2-CD2 3.39Å; V231-L264 HydrophobicContact CG1-CD1 3.69Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.46Å; L245-L264 HydrophobicContact CD1-CD1 3.98Å; L264-L266 HydrophobicContact CD2-CD2 4.38Å; L264-L266 HydrophobicContact CG-CD2 4.39Å
265L88.9Confident79.1Confident46 Ų4660.6 Ų60.624%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-126.4124.6179.2-164.377.1000107.7T203 Y204 L232T203-L265 HydrophobicContact CG2-CD1 3.49Å; T203-L265 VanDerWaalsContact CG2-CD1 3.49Å; T203-L265 HydrophobicContact CG2-CD2 3.98Å; T203-L265 HydrophobicContact CG2-CG 3.69Å; Y204-L265 CarbonylContact O-C 3.59Å; Y204-L265 WeakPolarHBondContact O-CA 3.33Å; L232-L265 HydrophobicContact CB-CB 3.98Å; L232-L265 HydrophobicContact CB-CD2 4.5Å; L232-L265 WeakPolarHBondContact CB-O 3.39Å; L232-L265 HydrophobicContact CD1-CD2 4.33Å; L232-L265 PolarHBondContact N-O 3.18Å; L232-L265 WeakPolarHBondContact O-CB 3.45Å; L232-L265 PolarHBondContact O-N 2.74Å
266L88.2Confident77.6Confident0 Ų059.8 Ų59.80%030%0.295CS..EExtended strand (participates in β ladder)trans-110.5109.3175.3-55.9174.8000107.5V184 T203 Y204 I206 I216 L230 V231 L264 I281V184-L266 HydrophobicContact CB-CD1 4.14Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.12Å; T203-L266 CarbonylContact C-O 3.6Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 3.47Å; Y204-L266 PolarHBondContact O-N 2.75Å; I206-L266 HydrophobicContact CD1-CD1 4.11Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; L230-L266 WeakPolarHBondContact O-CA 3.42Å; V231-L266 HydrophobicContact CB-CD2 4.29Å; V231-L266 HydrophobicContact CG1-CD2 4.04Å; V231-L266 HydrophobicContact CG2-CD2 3.87Å; L264-L266 HydrophobicContact CD2-CD2 4.38Å; L264-L266 HydrophobicContact CG-CD2 4.39Å; L266-I281 HydrophobicContact CD1-CD1 4.22Å
267H87.3Confident76.5Confident43 Ų4358.2 Ų58.220%0.19929%0.29CS..EExtended strand (participates in β ladder)trans-104.9120.4-179.3177.276.3000109.4D201 T203 L229 L230 L232D201-H267 IonicContact OD1-CE1 2.75Å; D201-H267 PolarHBondContact OD1-CE1 2.89Å; D201-H267 IonicContact OD1-ND1 2.82Å; D201-H267 IonicContact OD2-CE1 3.45Å; D201-H267 PolarHBondContact OD2-CE1 2.92Å; T203-H267 PolarHBondContact OG1-ND1 2.04Å; L229-H267 WeakPolarHBondContact CA-O 3.47Å; L230-H267 HydrophobicContact CB-CB 4.43Å; L230-H267 PolarHBondContact N-O 3.06Å; L230-H267 PolarHBondContact O-N 2.96Å; L232-H267 HydrophobicContact CD1-CB 4.19Å
268F85.8Confident75.9Confident5 Ų557.3 Ų57.32%0.02229%0.289CS..EExtended strand (participates in β ladder)trans-121.5126.7-176.8174.8-116.8000110.3L200 C202 L223 E227 E228 L229 F279L200-F268 HydrophobicContact CD2-CE1 4.21Å; C202-F268 PolarHBondContact N-O 2.96Å; C202-F268 PolarHBondContact O-N 2.82Å; L223-F268 HydrophobicContact CD2-CE2 3.86Å; E227-F268 HydrophobicContact CB-CE2 4.3Å; E228-F268 WeakPolarHBondContact O-CA 3.42Å; E228-F268 WeakPolarHBondContact O-CD2 3.28Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.95Å; L229-F268 HydrophobicContact CD1-CD2 4.35Å; F268-F279 HydrophobicContact CB-CE1 4.03Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 AromaticContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CE1-CE1 4.4Å; F268-F279 HydrophobicContact CE2-CD1 4.43Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.5Å; F268-F279 AromaticContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CZ 4.46Å
269Q82.4Confident75.8Confident70 Ų7050.2 Ų50.233%0.32726%0.262SS..EExtended strand (participates in β ladder)trans-126.7129.2179.2-168.1171.299.200110.9L199 L200 D201 E227 E228L199-Q269 HydrophobicContact CD1-CG 4.37Å; L199-Q269 HydrophobicContact CD2-CG 4.17Å; L199-Q269 HydrophobicContact CG-CG 4.39Å; L200-Q269 WeakPolarHBondContact O-CA 3.39Å; D201-Q269 PolarHBondContact OD2-NE2 3.24Å; E227-Q269 WeakPolarHBondContact CA-O 3.2Å; E228-Q269 PolarHBondContact N-O 3.41Å; E228-Q269 PolarHBondContact O-N 2.98Å
270S75.6Confident75.9Confident2 Ų253.6 Ų53.61%0.01428%0.275CS..EExtended strand (participates in β ladder)trans-136.6118.7177.8-176.40000110.8L200 E227 R272L200-S270 PolarHBondContact N-O 3.03Å; L200-S270 PolarHBondContact O-N 2.85Å; E227-S270 WeakPolarHBondContact CG-OG 3.48Å; E227-S270 WeakPolarHBondContact OE1-CB 3.35Å; E227-S270 PolarHBondContact OE1-OG 3.31Å; S270-R272 VanDerWaalsContact C-N 3.34Å; S270-R272 PolarHBondContact O-N 2.92Å; S270-R272 PolarHBondContact OG-O 3.08Å
271P67.7Low76.2Confident54 Ų5451.3 Ų51.335%0.35126%0.26SS..SBendtrans-83.5-3.4-171.132.1-35.9000114.6L199 E226L199-P271 HydrophobicContact CD1-CB 4.3Å; E226-P271 HydrophobicContact CB-CG 3.81Å; E226-P271 WeakPolarHBondContact O-CD 3.46Å; E226-P271 WeakPolarHBondContact O-CG 3.11Å
272R63.2Low76.5Confident162 Ų16252.6 Ų52.661%0.61127%0.266SS*.SBendtrans-146164-178.6-64.2-174.1-177133.77.1110.5E226 S270 P274E226-R272 IonicContact OE1-CZ 3.32Å; E226-R272 IonicContact OE1-NH1 3.54Å; E226-R272 PolarHBondContact OE1-NH1 2.93Å; E226-R272 IonicContact OE1-NH2 3.4Å; E226-R272 PolarHBondContact OE1-NH2 2.86Å; E226-R272 IonicContact OE2-CZ 3.61Å; E226-R272 IonicContact OE2-NE 3.89Å; E226-R272 IonicContact OE2-NH1 3.18Å; E226-R272 PolarHBondContact OE2-NH1 2.79Å; E226-R272 IonicContact OE2-NH2 2.68Å; S270-R272 VanDerWaalsContact C-N 3.34Å; S270-R272 PolarHBondContact O-N 2.92Å; S270-R272 PolarHBondContact OG-O 3.08Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å; R272-P274 VanDerWaalsContact O-N 3.14Å
273V55.8Low76.8Confident105 Ų10552.1 Ų52.164%0.63626%0.263SS*.  trans-59.5113.6172.3-177.70000109.7
274P53.1Low77Confident34 Ų3450.6 Ų50.622%0.22126%0.261CS..  trans-62.4145.3-178-23.334.5000112.6L189 E227 R272L189-P274 VanDerWaalsContact CD1-CD 3.45Å; L189-P274 HydrophobicContact CD1-CG 4.13Å; E227-P274 WeakPolarHBondContact OE1-CG 3.38Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å; R272-P274 VanDerWaalsContact O-N 3.14Å
275R52.8Low77.1Confident252 Ų25252.2 Ų52.295%0.95127%0.274SS*.SBendtrans-106.169.3175.6-71.7-174174.4-176-0.8111.1G277R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.67Å
276G54.9Low77Confident70 Ų7052.3 Ų52.372%0.72227%0.271SS*.SBendtrans74.711.6177.500000115.1N222N222-G276 PolarHBondContact ND2-O 3.43Å
277G63.7Low76.7Confident25 Ų2555.6 Ų55.626%0.25829%0.289SS..  trans-76.8152160.700000110.8N222 R275N222-G277 CarbonylContact O-C 3.58Å; N222-G277 WeakPolarHBondContact O-CA 3.25Å; R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.67Å
278G74.2Confident76.5Confident14 Ų1454.2 Ų54.214%0.14428%0.283CS..EExtended strand (participates in β ladder)trans175.3171.6-175.200000112.3S186 N222S186-G278 WeakPolarHBondContact OG-CA 3.35Å; N222-G278 PolarHBondContact N-O 2.89Å; N222-G278 PolarHBondContact O-N 2.6Å
279F84.1Confident76.4Confident4 Ų456.5 Ų56.52%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-138.3149.5178.666.9-94000111.5V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281V184-F279 HydrophobicContact CG1-CE2 4.14Å; E185-F279 WeakPolarHBondContact CA-O 3.41Å; S186-F279 PolarHBondContact N-O 3.32Å; S186-F279 VanDerWaalsContact N-O 3.07Å; S186-F279 PolarHBondContact OG-N 2.91Å; S186-F279 VanDerWaalsContact OG-N 3.14Å; Y204-F279 HydrophobicContact CD2-CZ 4.49Å; Y204-F279 AromaticContact CE2-CZ 3.97Å; Y204-F279 HydrophobicContact CE2-CZ 3.97Å; T220-F279 WeakPolarHBondContact O-CA 3.46Å; L221-F279 HydrophobicContact CD1-CB 4.05Å; L223-F279 HydrophobicContact CD2-CD1 4.46Å; L229-F279 HydrophobicContact CD1-CE1 4.27Å; L229-F279 HydrophobicContact CD1-CZ 4.27Å; L229-F279 HydrophobicContact CD2-CB 4.43Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.39Å; L229-F279 HydrophobicContact CD2-CG 4.12Å; F268-F279 HydrophobicContact CB-CE1 4.03Å; F268-F279 HydrophobicContact CB-CZ 4.38Å; F268-F279 AromaticContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD1-CE1 3.96Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CD2-CE1 3.86Å; F268-F279 HydrophobicContact CE1-CE1 4.4Å; F268-F279 HydrophobicContact CE2-CD1 4.43Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.5Å; F268-F279 AromaticContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CE1 3.66Å; F268-F279 HydrophobicContact CG-CZ 4.46Å; F279-I281 HydrophobicContact CD2-CD1 3.99Å; F279-I281 HydrophobicContact CD2-CG1 4.13Å; F279-I281 HydrophobicContact CE2-CD1 4.35Å
280R87.1Confident76.6Confident72 Ų7253.4 Ų53.427%0.27229%0.285SS..EExtended strand (participates in β ladder)trans-129.6116.6170.9-174.1-179-167.180.127.1108.6Y183 E185 Q219 T220Y183-R280 HydrophobicContact CD1-CG 4.48Å; Y183-R280 VanDerWaalsContact CG-NH2 3.27Å; E185-R280 HydrophobicContact CG-CG 4.24Å; E185-R280 IonicContact OE1-CZ 3.88Å; E185-R280 IonicContact OE1-NH1 3.39Å; E185-R280 PolarHBondContact OE1-NH1 2.78Å; E185-R280 IonicContact OE1-NH2 2.64Å; E185-R280 PolarHBondContact OE1-NH2 3.39Å; E185-R280 IonicContact OE2-CZ 3.88Å; E185-R280 IonicContact OE2-NH1 3.38Å; E185-R280 PolarHBondContact OE2-NH1 2.64Å; Q219-R280 WeakPolarHBondContact CA-O 3.2Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.33Å; Q219-R280 PolarHBondContact N-O 3.47Å; T220-R280 PolarHBondContact N-O 2.99Å; T220-R280 VanDerWaalsContact N-O 3.14Å; T220-R280 PolarHBondContact O-N 2.89Å; T220-R280 VanDerWaalsContact OG1-CB 3.25Å; T220-R280 WeakPolarHBondContact OG1-CB 3.28Å; T220-R280 PolarHBondContact OG1-N 2.88Å
281I89.3Confident76.9Confident0 Ų056 Ų560%031%0.313CS..EExtended strand (participates in β ladder)trans-117.3119.3177.9-68.7172.1000108.1Y183 V184 I216 L229 L266 F279Y183-I281 CarbonylContact C-O 3.54Å; Y183-I281 WeakPolarHBondContact CA-O 3.42Å; V184-I281 PolarHBondContact N-O 3.23Å; V184-I281 PolarHBondContact O-N 3.38Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.37Å; I216-I281 HydrophobicContact CG2-CG2 3.9Å; L229-I281 HydrophobicContact CD2-CD1 4.15Å; L266-I281 HydrophobicContact CD1-CD1 4.22Å; F279-I281 HydrophobicContact CD2-CD1 3.99Å; F279-I281 HydrophobicContact CD2-CG1 4.13Å; F279-I281 HydrophobicContact CE2-CD1 4.35Å
282H91.9Very high77.6Confident27 Ų2759.4 Ų59.413%0.12532%0.322CS..EExtended strand (participates in β ladder)trans-77.1141164.3-178.4-121.1000108.6G182 Y183 I216 Q217 Q219G182-H282 CarbonylContact O-C 3.46Å; G182-H282 WeakPolarHBondContact O-CA 3.41Å; G182-H282 PolarHBondContact O-CD2 2.91Å; Y183-H282 HydrophobicContact CD1-CB 4.01Å; Y183-H282 AromaticContact CD1-CD2 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.74Å; Y183-H282 AromaticContact CE1-CD2 3.37Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.31Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.52Å; I216-H282 CarbonylContact C-O 3.56Å; I216-H282 VanDerWaalsContact CA-O 3.3Å; I216-H282 WeakPolarHBondContact CA-O 3.46Å; Q217-H282 HydrophobicContact CB-CB 4.41Å; Q217-H282 PolarHBondContact N-O 3.08Å; Q217-H282 PolarHBondContact O-N 2.83Å; Q219-H282 HydrophobicContact CG-CB 4.08Å
283Y92.1Very high78.6Confident2 Ų251.8 Ų51.81%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-131.5145.6173.176.7-87.9000110.4I177 E181 G182 V184 I206 I214 E215I177-Y283 HydrophobicContact CG2-CE1 4.14Å; I177-Y283 HydrophobicContact CG2-CE2 4.4Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.42Å; E181-Y283 CarbonylContact C-O 3.5Å; E181-Y283 VanDerWaalsContact CA-O 3.29Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 2.85Å; G182-Y283 VanDerWaalsContact C-CD1 3.4Å; G182-Y283 VanDerWaalsContact CA-CE1 3.49Å; G182-Y283 PolarHBondContact N-O 3.06Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.35Å; G182-Y283 PolarHBondContact O-N 3.25Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å; I206-Y283 HydrophobicContact CD1-CD1 4.22Å; I206-Y283 HydrophobicContact CD1-CD2 4.42Å; I206-Y283 HydrophobicContact CD1-CG 4.03Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 3.84Å; I206-Y283 HydrophobicContact CG2-CG 4.43Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å; E215-Y283 CarbonylContact O-C 3.57Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 2.99Å
284Q91.5Very high79.8Confident74 Ų7450.8 Ų50.835%0.34629%0.29SS..EExtended strand (participates in β ladder)trans-145.3145.9176.763.4-175.54.400111.7G180 E181 E215G180-Q284 CarbonylContact O-C 3.6Å; E181-Q284 HydrophobicContact CB-CB 4.47Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 2.91Å; E215-Q284 PolarHBondContact O-N 2.96Å; E215-Q284 PolarHBondContact OE1-NE2 3.45Å
285A89.3Confident81.1Confident35 Ų3557.6 Ų57.629%0.28931%0.311SS..EExtended strand (participates in β ladder)trans-74.5125.2174.600000110.1G180 V208 Y212 G213G180-A285 VanDerWaalsContact O-CB 3.31Å; G180-A285 WeakPolarHBondContact O-CB 3.5Å; G180-A285 PolarHBondContact O-N 3.44Å; V208-A285 HydrophobicContact CB-CB 4.32Å; V208-A285 HydrophobicContact CG1-CB 4.01Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; G213-A285 CarbonylContact O-C 3.6Å; G213-A285 WeakPolarHBondContact O-CA 3.11Å
286Y86.5Confident82.6Confident48 Ų4846.4 Ų46.419%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-115151.8170.480.2-87.7000109.8Y212 G213 E215 R258 S259 L288Y212-Y286 CarbonylContact C-O 3.5Å; Y212-Y286 VanDerWaalsContact CA-O 3.26Å; Y212-Y286 WeakPolarHBondContact CA-O 3.36Å; Y212-Y286 WeakPolarHBondContact CB-O 3.45Å; G213-Y286 VanDerWaalsContact C-CD1 3.47Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.46Å; G213-Y286 PolarHBondContact O-N 2.95Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å; R258-Y286 HydrophobicContact CB-CE1 3.83Å; R258-Y286 HydrophobicContact CG-CD1 4.44Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å; S259-Y286 PolarHBondContact O-OH 3.05Å; Y286-L288 HydrophobicContact CE2-CD2 3.9Å; Y286-L288 PolarHBondContact O-N 3.08Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.06Å
287L83Confident83.7Confident70 Ų7046.5 Ų46.537%0.36627%0.265SS..EExtended strand (participates in β ladder)trans-72.5127.4-178.9-164.661.2000110.2Y212 H307Y212-L287 HydrophobicContact CD1-CD1 4.09Å; Y212-L287 HydrophobicContact CD2-CD1 4.35Å; Y212-L287 HydrophobicContact CE1-CB 4.4Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 3.97Å; Y212-L287 HydrophobicContact CG-CD1 4.4Å; L287-H307 HydrophobicContact CD2-CB 3.9Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.28Å; L287-H307 VanDerWaalsContact CD2-CG 3.4Å; L287-H307 HydrophobicContact CG-CB 4.36Å
288L83Confident84.5Confident13 Ų1347.6 Ų47.67%0.06826%0.263CS..  trans-82.8142.9171.7-72.2167.2000109.5G211 Y212 Y286 P308 P336G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 3.32Å; Y212-L288 VanDerWaalsContact O-CD1 3.28Å; Y212-L288 WeakPolarHBondContact O-CD1 3.21Å; Y286-L288 HydrophobicContact CE2-CD2 3.9Å; Y286-L288 PolarHBondContact O-N 3.08Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.06Å; L288-P308 WeakPolarHBondContact O-CD 3.46Å; L288-P336 HydrophobicContact CB-CG 3.61Å
289S84.4Confident85Confident54 Ų5447.6 Ų47.638%0.37826%0.263SS..  trans-112.2150.9174.3-32.50000109.9L306 H307S289-L306 CarbonylContact C-O 3.47Å; S289-L306 VanDerWaalsContact CA-O 3.31Å; S289-L306 WeakPolarHBondContact CA-O 3.47Å; S289-H307 PolarHBondContact OG-CD2 2.94Å; S289-H307 PolarHBondContact OG-NE2 2.04Å
290C84.6Confident85Confident4 Ų451.3 Ų51.33%0.02728%0.283CS..PPolyproline II helixtrans-60.5150.2160-74.90000110L306 C330 S337 W338C290-L306 PolarHBondContact N-O 2.85Å; C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.46Å; C290-C330 WeakPolarHBondContact SG-CA 3.05Å; C290-C330 WeakPolarHBondContact SG-CB 3.46Å; C290-C330 CovalentContact SG-SG 2.03Å; C290-C330 PolarHBondContact SG-SG 3.36Å; C290-S337 PolarHBondContact SG-N 3.45Å; C290-S337 VanDerWaalsContact SG-N 3.44Å; C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CZ2 3.77Å
291G82.3Confident85Confident57 Ų5748.2 Ų48.259%0.58827%0.272SS*.PPolyproline II helixtrans-63.1140.4168.400000110.3W338G291-W338 PolarHBondContact O-NE1 3.3Å
292F82.3Confident84.9Confident125 Ų12550.8 Ų50.855%0.54829%0.29SS..PPolyproline II helixtrans-56.1125.6176-167.3-83.5000109.2V301 V303 L306F292-V301 HydrophobicContact CE1-CG1 3.82Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; F292-V303 HydrophobicContact CD2-CG2 4.41Å; F292-V303 HydrophobicContact CE2-CB 4.28Å; F292-V303 HydrophobicContact CE2-CG2 3.78Å; F292-V303 HydrophobicContact CZ-CG2 3.95Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.06Å
293P84.9Confident84.6Confident2 Ų251.5 Ų51.51%0.01330%0.296CS..PPolyproline II helixtrans-64.9140.8-175.326.1-33.1000110.2R295 V301 V303 A312 F314 W338 T342P293-R295 PolarHBondContact O-N 3.43Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.87Å; P293-V303 HydrophobicContact CG-CG2 3.99Å; P293-A312 HydrophobicContact CG-CB 3.95Å; P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.84Å; P293-F314 HydrophobicContact CG-CZ 4.23Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; P293-T342 HydrophobicContact CB-CG2 4.32Å
294P81.8Confident84.4Confident85 Ų8556.3 Ų56.355%0.55233%0.326SS*.PPolyproline II helixtrans-60.2137.917326.6-33.7000109.6T342P294-T342 HydrophobicContact CG-CG2 3.93Å
295R80.1Confident83.9Confident176 Ų17656.1 Ų56.166%0.66433%0.327SS*.PPolyproline II helixtrans-64.5135.7169.9-74.9-178.3-67.7-1640.8109.1P293 D300 V301P293-R295 PolarHBondContact O-N 3.43Å; R295-D300 WeakPolarHBondContact CD-OD1 3.23Å; R295-V301 HydrophobicContact CG-CG1 3.9Å
296P84.6Confident83.6Confident18 Ų1856.8 Ų56.812%0.11733%0.326CS..PPolyproline II helixtrans-64156.7172.829-33.5000110F314P296-F314 HydrophobicContact CG-CD1 4.41Å
297A76.9Confident83.5Confident71 Ų7157.1 Ų57.159%0.58733%0.329SS*.THydrogen-bonded Turntrans-66.2135165.900000108.7C345A297-C345 WeakPolarHBondContact O-CB 3.47Å
298H80.8Confident83.5Confident49 Ų4955.8 Ų55.823%0.22733%0.325CS..THydrogen-bonded Turntrans57.544.8-178.1-42.1-61.6000113.8D317 Y320 C345 E365H298-D317 VanDerWaalsContact CA-OD2 3.26Å; H298-D317 WeakPolarHBondContact CA-OD2 3.37Å; H298-D317 PolarHBondContact O-N 3Å; H298-Y320 HydrophobicContact CB-CD1 3.71Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.6Å; H298-Y320 HydrophobicContact CB-CE2 3.65Å; H298-Y320 HydrophobicContact CB-CG 3.81Å; H298-Y320 AromaticContact CD2-CE1 3.3Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.43Å; H298-Y320 AromaticContact CD2-CZ 3.6Å; H298-Y320 AromaticContact CG-CE1 3.5Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.4Å; H298-Y320 VanDerWaalsContact CG-CZ 3.4Å; H298-Y320 AromaticContact ND1-CZ 3.91Å; H298-C345 WeakPolarHBondContact O-CB 3.28Å; H298-E365 IonicContact CD2-OE1 3.25Å; H298-E365 IonicContact CE1-OE1 2.91Å; H298-E365 IonicContact NE2-OE1 2.71Å; H298-E365 PolarHBondContact NE2-OE1 2.79Å
299G84.9Confident83.6Confident14 Ų1458 Ų5814%0.14435%0.35CS..EExtended strand (participates in β ladder)trans-174.5-179.1172.800000113.1H315 D317G299-H315 CarbonylContact C-O 3.59Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; G299-D317 PolarHBondContact N-OD2 2.91Å
300D83.1Confident83.7Confident82 Ų8255.7 Ų55.744%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-135166.7-178.8-164.825.9000112.2R295 H315R295-D300 WeakPolarHBondContact CD-OD1 3.23Å; D300-H315 PolarHBondContact N-O 2.93Å; D300-H315 PolarHBondContact O-N 2.84Å
301V88.1Confident84.1Confident6 Ų657.6 Ų57.64%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-129.6115178.767.50000111.5F292 P293 R295 V303 A312 F314F292-V301 HydrophobicContact CE1-CG1 3.82Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.87Å; R295-V301 HydrophobicContact CG-CG1 3.9Å; V301-V303 HydrophobicContact CG2-CG2 4.16Å; V301-A312 HydrophobicContact CG2-CB 3.95Å; V301-F314 HydrophobicContact CB-CD1 3.86Å; V301-F314 HydrophobicContact CB-CE1 3.85Å; V301-F314 HydrophobicContact CB-CZ 4.49Å; V301-F314 HydrophobicContact CG2-CD1 3.69Å; V301-F314 HydrophobicContact CG2-CD2 4.19Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.99Å; V301-F314 HydrophobicContact CG2-CG 4.04Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å
302S87Confident84.4Confident55 Ų5554.9 Ų54.939%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-86.5130.5169.436.10000109.2A312 T313 H315S302-A312 CarbonylContact O-C 3.5Å; S302-A312 WeakPolarHBondContact O-CA 3.5Å; S302-T313 PolarHBondContact N-O 2.7Å; S302-T313 PolarHBondContact O-N 3.07Å; S302-T313 PolarHBondContact O-OG1 2.83Å; S302-T313 PolarHBondContact OG-O 2.82Å; S302-T313 VanDerWaalsContact OG-O 3.13Å; S302-T313 PolarHBondContact OG-OG1 3.45Å; S302-H315 PolarHBondContact OG-CE1 2.83Å; S302-H315 PolarHBondContact OG-ND1 2.04Å
303V86.6Confident84.9Confident42 Ų4250.6 Ų50.626%0.25530%0.303SS..EExtended strand (participates in β ladder)trans-120.9126.7-178-176.80000109F292 P293 V301 D305 L306 T311 A312 W338F292-V303 HydrophobicContact CD2-CG2 4.41Å; F292-V303 HydrophobicContact CE2-CB 4.28Å; F292-V303 HydrophobicContact CE2-CG2 3.78Å; F292-V303 HydrophobicContact CZ-CG2 3.95Å; P293-V303 HydrophobicContact CG-CG2 3.99Å; V301-V303 HydrophobicContact CG2-CG2 4.16Å; V303-D305 WeakPolarHBondContact CG1-O 3.3Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.19Å; V303-T311 WeakPolarHBondContact CA-O 3.37Å; V303-A312 HydrophobicContact CG2-CB 4.04Å; V303-W338 HydrophobicContact CG1-CH2 4.46Å
304T86.5Confident85.2Confident102 Ų10250.6 Ų50.663%0.62630%0.303SS*.SBendtrans-80.3-45.8180570000111.7T311T304-T311 WeakPolarHBondContact CG2-OG1 3.49Å; T304-T311 PolarHBondContact N-O 3.19Å; T304-T311 PolarHBondContact OG1-N 2.89Å; T304-T311 PolarHBondContact OG1-O 3.19Å; T304-T311 VanDerWaalsContact OG1-O 3.09Å; T304-T311 PolarHBondContact OG1-OG1 3.08Å
305D80.4Confident85.6Confident71 Ų7151.2 Ų51.238%0.3830%0.298SS..  trans-153.5153169.6-164.1-4000109.4V303 H307 G310V303-D305 WeakPolarHBondContact CG1-O 3.3Å; D305-H307 VanDerWaalsContact CG-ND1 3.26Å; D305-H307 IonicContact OD1-CE1 3.64Å; D305-H307 PolarHBondContact OD1-CE1 2.98Å; D305-H307 IonicContact OD1-CG 2.81Å; D305-H307 PolarHBondContact OD1-N 2.78Å; D305-H307 VanDerWaalsContact OD1-N 3.16Å; D305-H307 IonicContact OD1-ND1 3.45Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.19Å; D305-H307 IonicContact OD2-ND1 3.85Å; D305-H307 PolarHBondContact OD2-ND1 3.07Å; D305-G310 WeakPolarHBondContact O-CA 3.44Å
306L83.8Confident86Confident49 Ų4944.6 Ų44.626%0.25728%0.278SS..SBendtrans-92.9-10.8172.3-65.8170.1000112.4S289 C290 F292 V303 C330 W338S289-L306 CarbonylContact C-O 3.47Å; S289-L306 VanDerWaalsContact CA-O 3.31Å; S289-L306 WeakPolarHBondContact CA-O 3.47Å; C290-L306 PolarHBondContact N-O 2.85Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.06Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.19Å; L306-C330 PolarHBondContact O-SG 2.86Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; L306-W338 HydrophobicContact CD2-CZ2 4.05Å
307H84.1Confident86Confident55 Ų5547.7 Ų47.726%0.25529%0.294SS..SBendtrans-74.7162.4176.6-56.1111.8000112.5L287 S289 D305 G309 G310L287-H307 HydrophobicContact CD2-CB 3.9Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.28Å; L287-H307 VanDerWaalsContact CD2-CG 3.4Å; L287-H307 HydrophobicContact CG-CB 4.36Å; S289-H307 PolarHBondContact OG-CD2 2.94Å; S289-H307 PolarHBondContact OG-NE2 2.04Å; D305-H307 VanDerWaalsContact CG-ND1 3.26Å; D305-H307 IonicContact OD1-CE1 3.64Å; D305-H307 PolarHBondContact OD1-CE1 2.98Å; D305-H307 IonicContact OD1-CG 2.81Å; D305-H307 PolarHBondContact OD1-N 2.78Å; D305-H307 VanDerWaalsContact OD1-N 3.16Å; D305-H307 IonicContact OD1-ND1 3.45Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.19Å; D305-H307 IonicContact OD2-ND1 3.85Å; D305-H307 PolarHBondContact OD2-ND1 3.07Å; H307-G309 PolarHBondContact O-N 2.97Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 2.91Å
308P84.4Confident86.3Confident42 Ų4247.2 Ų47.227%0.27329%0.286SS..THydrogen-bonded Turntrans-58.6127-179.3-25.535.3000112.7L288 C330 N332 P336L288-P308 WeakPolarHBondContact O-CD 3.46Å; P308-C330 CarbonylContact C-O 3.55Å; P308-C330 WeakPolarHBondContact CA-O 3.09Å; P308-N332 HydrophobicContact CB-CB 3.83Å; P308-N332 HydrophobicContact CG-CB 4.45Å; P308-P336 HydrophobicContact CG-CB 4.33Å; P308-P336 HydrophobicContact CG-CG 4.07Å
309G84.8Confident86.3Confident58 Ų5846.1 Ų46.160%0.59829%0.288SS*.THydrogen-bonded Turntrans97.1-15.2-169.600000114.4H307 C330H307-G309 PolarHBondContact O-N 2.97Å; G309-C330 PolarHBondContact N-O 2.96Å
310G86.4Confident86.3Confident7 Ų747.2 Ų47.27%0.07229%0.288CS..  trans-68154.9171.900000113D305 H307 C330D305-G310 WeakPolarHBondContact O-CA 3.44Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 2.91Å; G310-C330 PolarHBondContact O-N 3.33Å
311T91.5Very high86.4Confident43 Ų4349.7 Ų49.726%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-121.3144.9-174.562.80000112.6V303 T304 L328 I329V303-T311 WeakPolarHBondContact CA-O 3.37Å; T304-T311 WeakPolarHBondContact CG2-OG1 3.49Å; T304-T311 PolarHBondContact N-O 3.19Å; T304-T311 PolarHBondContact OG1-N 2.89Å; T304-T311 PolarHBondContact OG1-O 3.19Å; T304-T311 VanDerWaalsContact OG1-O 3.09Å; T304-T311 PolarHBondContact OG1-OG1 3.08Å; T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.07Å; T311-I329 HydrophobicContact CG2-CG1 4.33Å
312A90Very high86.4Confident0 Ų051.8 Ų51.80%031%0.308CS..EExtended strand (participates in β ladder)trans-117.8123.6170.800000109.1P293 V301 S302 V303 F314 T327 L328 W338P293-A312 HydrophobicContact CG-CB 3.95Å; V301-A312 HydrophobicContact CG2-CB 3.95Å; S302-A312 CarbonylContact O-C 3.5Å; S302-A312 WeakPolarHBondContact O-CA 3.5Å; V303-A312 HydrophobicContact CG2-CB 4.04Å; A312-F314 HydrophobicContact CB-CE2 3.96Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; A312-T327 CarbonylContact O-C 3.58Å; A312-T327 WeakPolarHBondContact O-CA 3.32Å; A312-L328 PolarHBondContact N-O 3.47Å; A312-L328 PolarHBondContact O-N 2.82Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.77Å; A312-W338 HydrophobicContact CB-CZ2 4.33Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å
313T91.9Very high86.5Confident35 Ų3554.4 Ų54.422%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-114.9118.2-175.948.20000110.4S302 H315 E326 T327S302-T313 PolarHBondContact N-O 2.7Å; S302-T313 PolarHBondContact O-N 3.07Å; S302-T313 PolarHBondContact O-OG1 2.83Å; S302-T313 PolarHBondContact OG-O 2.82Å; S302-T313 VanDerWaalsContact OG-O 3.13Å; S302-T313 PolarHBondContact OG-OG1 3.45Å; T313-H315 PolarHBondContact O-ND1 3.43Å; T313-H315 VanDerWaalsContact O-ND1 3.07Å; T313-E326 WeakPolarHBondContact CA-O 3.37Å; T313-T327 HydrophobicContact CG2-CG2 3.83Å
314F91.9Very high86.5Confident3 Ų355.2 Ų55.21%0.01333%0.331CS..EExtended strand (participates in β ladder)trans-97.2131.3-169.9-65.5-96.4000111P293 P296 V301 A312 L322 E326 L328 T342 P343P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.84Å; P293-F314 HydrophobicContact CG-CZ 4.23Å; P296-F314 HydrophobicContact CG-CD1 4.41Å; V301-F314 HydrophobicContact CB-CD1 3.86Å; V301-F314 HydrophobicContact CB-CE1 3.85Å; V301-F314 HydrophobicContact CB-CZ 4.49Å; V301-F314 HydrophobicContact CG2-CD1 3.69Å; V301-F314 HydrophobicContact CG2-CD2 4.19Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.99Å; V301-F314 HydrophobicContact CG2-CG 4.04Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å; A312-F314 HydrophobicContact CB-CE2 3.96Å; A312-F314 HydrophobicContact CB-CZ 4.3Å; F314-L322 HydrophobicContact CB-CD1 4.18Å; F314-L322 HydrophobicContact CB-CD2 4.44Å; F314-E326 PolarHBondContact N-O 3.13Å; F314-L328 HydrophobicContact CD2-CG 4.49Å; F314-L328 HydrophobicContact CE2-CB 4.09Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.72Å; F314-L328 HydrophobicContact CZ-CD1 3.93Å; F314-L328 HydrophobicContact CZ-CG 4.44Å; F314-T342 HydrophobicContact CE1-CG2 4.02Å; F314-T342 HydrophobicContact CZ-CG2 3.91Å; F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.83Å; F314-P343 HydrophobicContact CD2-CG 3.88Å; F314-P343 HydrophobicContact CE1-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.49Å; F314-P343 VanDerWaalsContact CG-CG 3.49Å
315H88.9Confident86.7Confident98 Ų9856.6 Ų56.645%0.45433%0.33SS..EExtended strand (participates in β ladder)trans-125.5136.4-176.7-60.971.2000108.7G299 D300 S302 T313G299-H315 CarbonylContact C-O 3.59Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; D300-H315 PolarHBondContact N-O 2.93Å; D300-H315 PolarHBondContact O-N 2.84Å; S302-H315 PolarHBondContact OG-CE1 2.83Å; S302-H315 PolarHBondContact OG-ND1 2.04Å; T313-H315 PolarHBondContact O-ND1 3.43Å; T313-H315 VanDerWaalsContact O-ND1 3.07Å
316C88.9Confident87.1Confident37 Ų3759 Ų5925%0.2534%0.339CS..EExtended strand (participates in β ladder)trans-95.2151.3174.9-63.10000111.8L322 C345C316-L322 WeakPolarHBondContact SG-CA 3.47Å; C316-L322 WeakPolarHBondContact SG-CD1 3.44Å; C316-L322 PolarHBondContact SG-N 2.92Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.78Å; C316-C345 WeakPolarHBondContact CB-SG 3.24Å; C316-C345 VanDerWaalsContact SG-CA 3.57Å; C316-C345 WeakPolarHBondContact SG-CB 3.15Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.09Å
317D85.2Confident87.5Confident83 Ų8359.7 Ų59.744%0.44435%0.345SS..PPolyproline II helixtrans-65153.9171.5-68.3-38.3000111H298 G299 G319 Y320H298-D317 VanDerWaalsContact CA-OD2 3.26Å; H298-D317 WeakPolarHBondContact CA-OD2 3.37Å; H298-D317 PolarHBondContact O-N 3Å; G299-D317 PolarHBondContact N-OD2 2.91Å; D317-G319 PolarHBondContact O-N 2.8Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 2.8Å
318S83.1Confident87.9Confident60 Ų6057 Ų5742%0.4233%0.333SS..THydrogen-bonded Turntrans-49.3127.4179.758.10000111.7R360S318-R360 WeakPolarHBondContact O-CB 3.04Å; S318-R360 VanDerWaalsContact O-CD 3.32Å; S318-R360 WeakPolarHBondContact O-CD 3.36Å; S318-R360 VanDerWaalsContact OG-CB 3.28Å; S318-R360 WeakPolarHBondContact OG-CB 3.43Å; S318-R360 PolarHBondContact OG-NE 3.21Å
319G80.2Confident88.2Confident26 Ų2658.4 Ų58.427%0.26834%0.337SS..THydrogen-bonded Turntrans91.7-12.5-178.900000115.1D317 R360 V362D317-G319 PolarHBondContact O-N 2.8Å; G319-R360 VanDerWaalsContact CA-O 3.3Å; G319-R360 WeakPolarHBondContact CA-O 3.06Å; G319-V362 VanDerWaalsContact O-CG2 3.3Å; G319-V362 WeakPolarHBondContact O-CG2 3.36Å
320Y85.4Confident88.4Confident37 Ų3755.7 Ų55.715%0.14531%0.309CS..EExtended strand (participates in β ladder)trans-98.7147.3169.3-63.4-99.1000110.7H298 D317 A347 V362H298-Y320 HydrophobicContact CB-CD1 3.71Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.6Å; H298-Y320 HydrophobicContact CB-CE2 3.65Å; H298-Y320 HydrophobicContact CB-CG 3.81Å; H298-Y320 AromaticContact CD2-CE1 3.3Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.43Å; H298-Y320 AromaticContact CD2-CZ 3.6Å; H298-Y320 AromaticContact CG-CE1 3.5Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.4Å; H298-Y320 VanDerWaalsContact CG-CZ 3.4Å; H298-Y320 AromaticContact ND1-CZ 3.91Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 2.8Å; Y320-A347 HydrophobicContact CD1-CB 4.11Å; Y320-A347 HydrophobicContact CE1-CB 4Å; Y320-V362 HydrophobicContact CD2-CG2 3.97Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.24Å; Y320-V362 HydrophobicContact CE2-CG1 3.91Å; Y320-V362 HydrophobicContact CE2-CG2 3.73Å; Y320-V362 HydrophobicContact CG-CG2 4.37Å
321Q85.3Confident88.5Confident135 Ų13559.1 Ų59.163%0.63133%0.325SS*.EExtended strand (participates in β ladder)trans-114.5138.3176.7-173172.311.200110.3M346Q321-M346 PolarHBondContact N-O 2.84Å; Q321-M346 PolarHBondContact O-N 3.13Å
322L87.7Confident88.2Confident49 Ų4963 Ų6326%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-72.9131.6179.5-162.976.6000111.3F314 C316 E326 P343F314-L322 HydrophobicContact CB-CD1 4.18Å; F314-L322 HydrophobicContact CB-CD2 4.44Å; C316-L322 WeakPolarHBondContact SG-CA 3.47Å; C316-L322 WeakPolarHBondContact SG-CD1 3.44Å; C316-L322 PolarHBondContact SG-N 2.92Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; L322-E326 HydrophobicContact CD2-CB 3.99Å; L322-E326 HydrophobicContact CD2-CG 4.25Å; L322-P343 HydrophobicContact CD1-CB 3.7Å; L322-P343 HydrophobicContact CD1-CG 3.78Å; L322-P343 HydrophobicContact CD2-CB 4.2Å; L322-P343 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CG-CB 3.88Å; L322-P343 HydrophobicContact CG-CG 4.28Å
323Q88.9Confident87.7Confident110 Ų11063.8 Ų63.851%0.51435%0.353SS..EExtended strand (participates in β ladder)trans-116.8106.8170.5179.1-178.157.900109.4P343 S344 M346Q323-P343 WeakPolarHBondContact O-CA 3.41Å; Q323-P343 WeakPolarHBondContact O-CB 3.46Å; Q323-S344 PolarHBondContact N-O 2.77Å; Q323-S344 PolarHBondContact O-N 3.18Å; Q323-S344 PolarHBondContact OE1-OG 3.07Å; Q323-M346 HydrophobicContact CB-CE 4.17Å; Q323-M346 VanDerWaalsContact CD-CE 3.44Å; Q323-M346 HydrophobicContact CG-CE 4.35Å; Q323-M346 VanDerWaalsContact OE1-CE 3.3Å
324G86.9Confident86.9Confident59 Ų5964.2 Ų64.261%0.60836%0.355SS*.SBendtrans136.3-161.9179.900000111.2
325E90.1Very high86.4Confident131 Ų13169.5 Ų69.561%0.61238%0.375SS*.  trans-79.5127.8173.9-67.3-66.9166.700110.4T327 L328 P343E325-T327 PolarHBondContact O-N 3.39Å; E325-L328 HydrophobicContact CB-CD2 4.1Å; E325-P343 WeakPolarHBondContact O-CG 3.38Å
326E90.6Very high86.1Confident122 Ų12265.7 Ų65.757%0.5736%0.359SS*.SBendtrans-65-29.8177.1-171.6-177.9163.100112.4T313 F314 L322T313-E326 WeakPolarHBondContact CA-O 3.37Å; F314-E326 PolarHBondContact N-O 3.13Å; L322-E326 HydrophobicContact CD2-CB 3.99Å; L322-E326 HydrophobicContact CD2-CG 4.25Å
327T91.6Very high86Confident63 Ų6367.2 Ų67.239%0.38737%0.37SS..EExtended strand (participates in β ladder)trans-131.2117.8-173.9750000111.6A312 T313 E325A312-T327 CarbonylContact O-C 3.58Å; A312-T327 WeakPolarHBondContact O-CA 3.32Å; T313-T327 HydrophobicContact CG2-CG2 3.83Å; E325-T327 PolarHBondContact O-N 3.39Å
328L91.8Very high86.2Confident0 Ų065.1 Ų65.10%036%0.356CS..EExtended strand (participates in β ladder)trans-100.1151.2170.2-60.1-177.8000110.9T311 A312 F314 E325 W338 N339 T342T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.07Å; A312-L328 PolarHBondContact N-O 3.47Å; A312-L328 PolarHBondContact O-N 2.82Å; F314-L328 HydrophobicContact CD2-CG 4.49Å; F314-L328 HydrophobicContact CE2-CB 4.09Å; F314-L328 HydrophobicContact CE2-CD1 3.71Å; F314-L328 HydrophobicContact CE2-CG 3.72Å; F314-L328 HydrophobicContact CZ-CD1 3.93Å; F314-L328 HydrophobicContact CZ-CG 4.44Å; E325-L328 HydrophobicContact CB-CD2 4.1Å; L328-W338 HydrophobicContact CB-CB 4.47Å; L328-W338 HydrophobicContact CB-CD2 4.43Å; L328-W338 HydrophobicContact CB-CE3 3.84Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; L328-N339 VanDerWaalsContact CA-OD1 3.24Å; L328-N339 WeakPolarHBondContact CA-OD1 3.28Å; L328-N339 WeakPolarHBondContact CB-OD1 3.4Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.3Å; L328-T342 HydrophobicContact CD1-CG2 4.32Å
329I91.6Very high86.6Confident70 Ų7066 Ų6636%0.35936%0.356SS..EExtended strand (participates in β ladder)trans-124132-176.6-50.4-179.2000109.1T311 L331 W338 N339T311-I329 HydrophobicContact CG2-CG1 4.33Å; I329-L331 PolarHBondContact O-N 3.37Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.28Å; I329-N339 PolarHBondContact O-N 2.86Å; I329-N339 PolarHBondContact O-OD1 2.04Å
330C89.4Confident86.9Confident1 Ų166.5 Ų66.51%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-74.7113.4176.1-178.20000110C290 L306 P308 G309 G310 W338C290-C330 HydrophobicContact CB-CB 3.92Å; C290-C330 WeakPolarHBondContact CB-SG 3.46Å; C290-C330 WeakPolarHBondContact SG-CA 3.05Å; C290-C330 WeakPolarHBondContact SG-CB 3.46Å; C290-C330 CovalentContact SG-SG 2.03Å; C290-C330 PolarHBondContact SG-SG 3.36Å; L306-C330 PolarHBondContact O-SG 2.86Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; P308-C330 CarbonylContact C-O 3.55Å; P308-C330 WeakPolarHBondContact CA-O 3.09Å; G309-C330 PolarHBondContact N-O 2.96Å; G310-C330 PolarHBondContact O-N 3.33Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.06Å; C330-W338 HydrophobicContact CB-CZ3 3.85Å
331L88.3Confident87.1Confident80 Ų8073.4 Ų73.442%0.41940%0.395SS..EExtended strand (participates in β ladder)trans-82.1145.8-178.5-59.7-178.1000111.9I329 P336 S337 N339I329-L331 PolarHBondContact O-N 3.37Å; L331-P336 WeakPolarHBondContact O-CA 3.15Å; L331-P336 WeakPolarHBondContact O-CB 3.01Å; L331-S337 WeakPolarHBondContact CB-O 3.38Å; L331-S337 PolarHBondContact N-O 3.02Å; L331-N339 HydrophobicContact CD1-CB 3.95Å; L331-N339 HydrophobicContact CD2-CB 4.08Å; L331-N339 HydrophobicContact CG-CB 3.97Å
332N84.8Confident87.1Confident123 Ų12370 Ų7066%0.65838%0.384SS*.  trans-76.3139.9172.759.8-9.5000111.2P308P308-N332 HydrophobicContact CB-CB 3.83Å; P308-N332 HydrophobicContact CG-CB 4.45Å
333G79.4Confident87.2Confident18 Ų1868.1 Ų68.119%0.18637%0.374CS..SBendtrans-174.1-175.8-174.400000114.3G211 R335G211-G333 PolarHBondContact N-O 2.81Å; G333-R335 VanDerWaalsContact C-N 3.26Å
334T76.1Confident87.2Confident43 Ų4365.1 Ų65.126%0.26437%0.365SS..SBendtrans-68.9-29.8171.8560000111.6G236 T261 N262G236-T334 WeakPolarHBondContact CA-OG1 3.49Å; G236-T334 PolarHBondContact O-OG1 2.77Å; T261-T334 WeakPolarHBondContact CA-O 3.41Å; T261-T334 WeakPolarHBondContact CB-O 3.47Å; N262-T334 PolarHBondContact N-O 2.87Å; N262-T334 WeakPolarHBondContact OD1-CA 3.39Å; N262-T334 WeakPolarHBondContact OD1-CB 3.34Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.37Å
335R80.6Confident87.2Confident115 Ų11563 Ų6343%0.43434%0.341SS..SBendtrans-130.6127155-63-172.5177.61469.1106.6P260 T261 G333P260-R335 WeakPolarHBondContact O-CG 3.04Å; T261-R335 HydrophobicContact CG2-CG 3.68Å; G333-R335 VanDerWaalsContact C-N 3.26Å
336P81.9Confident86.9Confident18 Ų1861 Ų6112%0.11733%0.332CS..  trans-61.4142.1170.3-24.335.4000111.4L288 P308 L331L288-P336 HydrophobicContact CB-CG 3.61Å; P308-P336 HydrophobicContact CG-CB 4.33Å; P308-P336 HydrophobicContact CG-CG 4.07Å; L331-P336 WeakPolarHBondContact O-CA 3.15Å; L331-P336 WeakPolarHBondContact O-CB 3.01Å
337S88.2Confident86.6Confident68 Ų6856 Ų5648%0.47631%0.312SS..EExtended strand (participates in β ladder)trans-146.5154.317664.40000110.4C290 L331C290-S337 PolarHBondContact SG-N 3.45Å; C290-S337 VanDerWaalsContact SG-N 3.44Å; L331-S337 WeakPolarHBondContact CB-O 3.38Å; L331-S337 PolarHBondContact N-O 3.02Å
338W89.3Confident86Confident40 Ų4055.5 Ų55.515%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-62.5151.9170.2-60.1105.9000110.9C290 G291 P293 V303 L306 A312 L328 I329 C330 G340C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CZ2 3.77Å; G291-W338 PolarHBondContact O-NE1 3.3Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; V303-W338 HydrophobicContact CG1-CH2 4.46Å; L306-W338 HydrophobicContact CD2-CZ2 4.05Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.77Å; A312-W338 HydrophobicContact CB-CZ2 4.33Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å; L328-W338 HydrophobicContact CB-CB 4.47Å; L328-W338 HydrophobicContact CB-CD2 4.43Å; L328-W338 HydrophobicContact CB-CE3 3.84Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.06Å; C330-W338 HydrophobicContact CB-CZ3 3.85Å; W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.89Å
339N91.2Very high85.5Confident77 Ų7758 Ų5841%0.41233%0.328SS..SBendtrans-73.9-11.9-178.465.3-40.5000114.7L328 I329 L331L328-N339 VanDerWaalsContact CA-OD1 3.24Å; L328-N339 WeakPolarHBondContact CA-OD1 3.28Å; L328-N339 WeakPolarHBondContact CB-OD1 3.4Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.3Å; I329-N339 PolarHBondContact N-OD1 3.28Å; I329-N339 PolarHBondContact O-N 2.86Å; I329-N339 PolarHBondContact O-OD1 2.04Å; L331-N339 HydrophobicContact CD1-CB 3.95Å; L331-N339 HydrophobicContact CD2-CB 4.08Å; L331-N339 HydrophobicContact CG-CB 3.97Å
340G86.9Confident85.1Confident37 Ų3755.6 Ų55.638%0.38132%0.321SS..SBendtrans-156-179.1-178.400000112.2W338W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.89Å
341E88.4Confident85Confident183 Ų18357.3 Ų57.386%0.85534%0.339SS*.PPolyproline II helixtrans-79.8153.6173.4-61.6-177.1165.100110.5
342T84.9Confident85.1Confident64 Ų6457.2 Ų57.239%0.39334%0.341SS..PPolyproline II helixtrans-70133.4179.546.80000111.5P293 P294 F314 L328P293-T342 HydrophobicContact CB-CG2 4.32Å; P294-T342 HydrophobicContact CG-CG2 3.93Å; F314-T342 HydrophobicContact CE1-CG2 4.02Å; F314-T342 HydrophobicContact CZ-CG2 3.91Å; L328-T342 HydrophobicContact CD1-CG2 4.32Å
343P90.4Very high85.4Confident8 Ų853.8 Ų53.85%0.05232%0.323CS..PPolyproline II helixtrans-66.7158.5178.731.2-38.4000112.1F314 L322 Q323 E325F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.83Å; F314-P343 HydrophobicContact CD2-CG 3.88Å; F314-P343 HydrophobicContact CE1-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.49Å; F314-P343 VanDerWaalsContact CG-CG 3.49Å; L322-P343 HydrophobicContact CD1-CB 3.7Å; L322-P343 HydrophobicContact CD1-CG 3.78Å; L322-P343 HydrophobicContact CD2-CB 4.2Å; L322-P343 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CG-CB 3.88Å; L322-P343 HydrophobicContact CG-CG 4.28Å; Q323-P343 WeakPolarHBondContact O-CA 3.41Å; Q323-P343 WeakPolarHBondContact O-CB 3.46Å; E325-P343 WeakPolarHBondContact O-CG 3.38Å
344S87.9Confident85.9Confident48 Ų4858.9 Ų58.934%0.33634%0.341SS..EExtended strand (participates in β ladder)trans-104.9147.617352.10000111Q323Q323-S344 PolarHBondContact N-O 2.77Å; Q323-S344 PolarHBondContact O-N 3.18Å; Q323-S344 PolarHBondContact OE1-OG 3.07Å
345C88.4Confident86.6Confident13 Ų1362.6 Ų62.69%0.08836%0.359CS..EExtended strand (participates in β ladder)trans-100125.6168.9-66.80000108.9A297 H298 C316A297-C345 WeakPolarHBondContact O-CB 3.47Å; H298-C345 WeakPolarHBondContact O-CB 3.28Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.78Å; C316-C345 WeakPolarHBondContact CB-SG 3.24Å; C316-C345 VanDerWaalsContact SG-CA 3.57Å; C316-C345 WeakPolarHBondContact SG-CB 3.15Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.09Å
346M83.2Confident87Confident89 Ų8957.4 Ų57.444%0.43834%0.341SS..EExtended strand (participates in β ladder)trans-126.4137.9-177.9-63.2-161.8-54.400111.7Q321 Q323Q321-M346 PolarHBondContact N-O 2.84Å; Q321-M346 PolarHBondContact O-N 3.13Å; Q323-M346 HydrophobicContact CB-CE 4.17Å; Q323-M346 VanDerWaalsContact CD-CE 3.44Å; Q323-M346 HydrophobicContact CG-CE 4.35Å; Q323-M346 VanDerWaalsContact OE1-CE 3.3Å
347A83.4Confident87.4Confident17 Ų1760.9 Ų60.914%0.1436%0.362CS..EExtended strand (participates in β ladder)trans-70.9137.7175.300000111.6Y320 V362 S363Y320-A347 HydrophobicContact CD1-CB 4.11Å; Y320-A347 HydrophobicContact CE1-CB 4Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.58Å; A347-S363 WeakPolarHBondContact CB-O 3.41Å
348S80.6Confident87.5Confident53 Ų5362.5 Ų62.537%0.37137%0.365SS..  trans-91.2115.7177.4490000111.8G350 W378S348-G350 PolarHBondContact O-N 3.01Å; S348-W378 PolarHBondContact O-NE1 3.05Å
349C80.3Confident87.5Confident53 Ų5361.4 Ų61.436%0.35837%0.366SS..SBendtrans-72.890.5176.2-177.10000111.2P364 L374 T375 C376C349-P364 HydrophobicContact CB-CG 3.81Å; C349-L374 HydrophobicContact CB-CD1 4.39Å; C349-L374 VanDerWaalsContact SG-CD1 3.56Å; C349-T375 PolarHBondContact SG-O 2.75Å; C349-C376 VanDerWaalsContact CA-SG 3.51Å; C349-C376 HydrophobicContact CB-CB 4.11Å; C349-C376 WeakPolarHBondContact CB-SG 3.32Å; C349-C376 WeakPolarHBondContact SG-CA 3.33Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.03Å
350G82.6Confident87.4Confident19 Ų1960.3 Ų60.320%0.19636%0.356CS..SBendtrans86168.4-178.800000115.2S348 R377 W378S348-G350 PolarHBondContact O-N 3.01Å; G350-R377 CarbonylContact C-O 3.48Å; G350-R377 WeakPolarHBondContact CA-O 3.43Å; G350-W378 VanDerWaalsContact CA-CD1 3.48Å; G350-W378 VanDerWaalsContact N-CE2 3.35Å; G350-W378 VanDerWaalsContact N-NE1 3.12Å
351G87.8Confident87.6Confident38 Ų3858.8 Ų58.839%0.39234%0.339SS..EExtended strand (participates in β ladder)trans151.2177.1-178.400000112.8R377 W378 V379G351-R377 PolarHBondContact N-O 3.36Å; G351-W378 CarbonylContact O-C 3.44Å; G351-W378 VanDerWaalsContact O-CA 3.31Å; G351-W378 WeakPolarHBondContact O-CA 3.38Å; G351-V379 PolarHBondContact O-N 3.07Å
352T90.8Very high87.5Confident77 Ų7750.2 Ų50.247%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-118.7130.4174.5-54.30000110.4H354 V379T352-H354 WeakPolarHBondContact CG2-CE1 3.14Å; T352-V379 CarbonylContact C-O 3.59Å; T352-V379 WeakPolarHBondContact CA-O 3.42Å; T352-V379 HydrophobicContact CG2-CB 4.09Å; T352-V379 HydrophobicContact CG2-CG1 4.32Å
353I90.4Very high87.4Confident52 Ų5247.3 Ų47.327%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-113.597.1-178.6-54.3177.9000107.8A356 I361 V379 E381 F456I353-A356 HydrophobicContact CG2-CB 4.2Å; I353-I361 HydrophobicContact CD1-CD1 4.33Å; I353-I361 HydrophobicContact CD1-CG1 4.2Å; I353-V379 PolarHBondContact N-O 3.22Å; I353-E381 PolarHBondContact O-N 2.99Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.29Å; I353-F456 HydrophobicContact CG2-CZ 3.94Å
354H91Very high86.8Confident125 Ų12548 Ų4858%0.57929%0.286SS*.EExtended strand (participates in β ladder)trans-86.1146.3177.6-56.1-72000111.6T352 A356 E381T352-H354 WeakPolarHBondContact CG2-CE1 3.14Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 2.88Å; H354-E381 CarbonylContact C-O 3.57Å; H354-E381 IonicContact CE1-OE2 3.79Å; H354-E381 PolarHBondContact CE1-OE2 2.87Å; H354-E381 IonicContact CG-OE2 3.4Å; H354-E381 IonicContact ND1-OE2 3.14Å; H354-E381 PolarHBondContact ND1-OE2 2.98Å
355N90.6Very high85.9Confident120 Ų12050.9 Ų50.964%0.64229%0.294SS*.EExtended strand (participates in β ladder)trans51.944.9-174.8-65.4-41.4000112.7T357 E381N355-T357 PolarHBondContact O-N 3.36Å; N355-E381 CarbonylContact C-O 3.58Å; N355-E381 WeakPolarHBondContact CA-O 3.01Å; N355-E381 PolarHBondContact N-O 3.31Å
356A88.4Confident84.3Confident6 Ų653.5 Ų53.55%0.0531%0.311CS..EExtended strand (participates in β ladder)trans-53.7135.8172.800000111I353 H354 I380 E381 L388 F456 A458I353-A356 HydrophobicContact CG2-CB 4.2Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 2.88Å; A356-I380 HydrophobicContact CB-CG2 3.52Å; A356-E381 PolarHBondContact N-O 2.8Å; A356-L388 HydrophobicContact CB-CD2 4.12Å; A356-F456 HydrophobicContact CB-CD2 4.17Å; A356-F456 HydrophobicContact CB-CE2 3.82Å; A356-A458 WeakPolarHBondContact O-CB 3.35Å
357T90.2Very high82.9Confident92 Ų9253 Ų5356%0.56433%0.329SS*.SBendtrans-129.6-57.3177.748.60000110.5N355 A458N355-T357 PolarHBondContact O-N 3.36Å; T357-A458 PolarHBondContact O-N 2.74Å
358L90.6Very high81.4Confident102 Ų10254.4 Ų54.453%0.53435%0.345SS..EExtended strand (participates in β ladder)trans-149142.4169.2178.967000108.6R455 F456 E457L358-R455 HydrophobicContact CD1-CG 4.47Å; L358-R455 VanDerWaalsContact CD1-NH2 3.32Å; L358-F456 CarbonylContact C-O 3.56Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; L358-E457 HydrophobicContact CD1-CB 4.14Å; L358-E457 HydrophobicContact CD1-CG 4.17Å
359G88.9Confident79.8Confident16 Ų1657.5 Ų57.517%0.16537%0.374CS..EExtended strand (participates in β ladder)trans-178.7-167172.900000113.8R455 F456G359-R455 WeakPolarHBondContact O-CA 3.43Å; G359-F456 VanDerWaalsContact C-CE1 3.43Å; G359-F456 VanDerWaalsContact CA-CZ 3.47Å; G359-F456 PolarHBondContact N-O 3.39Å; G359-F456 PolarHBondContact O-N 2.92Å
360R89.3Confident78.5Confident55 Ų5559 Ų5921%0.20838%0.382CS..EExtended strand (participates in β ladder)trans-141.3146.4-179-173.8-170.2-64.3-102.6-4.7110.6S318 G319 V362 E393 S453 L454S318-R360 WeakPolarHBondContact O-CB 3.04Å; S318-R360 VanDerWaalsContact O-CD 3.32Å; S318-R360 WeakPolarHBondContact O-CD 3.36Å; S318-R360 VanDerWaalsContact OG-CB 3.28Å; S318-R360 WeakPolarHBondContact OG-CB 3.43Å; S318-R360 PolarHBondContact OG-NE 3.21Å; G319-R360 VanDerWaalsContact CA-O 3.3Å; G319-R360 WeakPolarHBondContact CA-O 3.06Å; R360-V362 HydrophobicContact CG-CG1 4.28Å; R360-E393 IonicContact CZ-OE1 2.75Å; R360-E393 VanDerWaalsContact CZ-OE1 3.32Å; R360-E393 IonicContact CZ-OE2 2.75Å; R360-E393 IonicContact NH1-OE1 2.72Å; R360-E393 PolarHBondContact NH1-OE1 3.3Å; R360-E393 IonicContact NH1-OE2 2.81Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 IonicContact NH2-OE1 2.6Å; R360-E393 PolarHBondContact NH2-OE1 3.04Å; R360-E393 IonicContact NH2-OE2 2.84Å; R360-E393 PolarHBondContact NH2-OE2 3.37Å; R360-S453 WeakPolarHBondContact CD-OG 3.36Å; R360-S453 PolarHBondContact NH1-OG 3.2Å; R360-L454 CarbonylContact C-O 3.6Å; R360-L454 VanDerWaalsContact CA-O 3.23Å; R360-L454 WeakPolarHBondContact CA-O 3.5Å; R360-L454 WeakPolarHBondContact CG-O 3.26Å
361I90.6Very high77.2Confident4 Ų460.5 Ų60.52%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-116.4139.1169.5-72.9162.9000108.1I353 W378 I380 S453 L454 F456I353-I361 HydrophobicContact CD1-CD1 4.33Å; I353-I361 HydrophobicContact CD1-CG1 4.2Å; I361-W378 HydrophobicContact CD1-CB 3.76Å; I361-W378 HydrophobicContact CD1-CG 4Å; I361-W378 HydrophobicContact CG1-CB 4.49Å; I361-W378 HydrophobicContact CG1-CG 4.23Å; I361-W378 HydrophobicContact CG2-CD2 3.45Å; I361-W378 VanDerWaalsContact CG2-CD2 3.45Å; I361-W378 HydrophobicContact CG2-CE3 3.86Å; I361-W378 HydrophobicContact CG2-CG 3.82Å; I361-W378 HydrophobicContact CG2-CH2 4.04Å; I361-W378 HydrophobicContact CG2-CZ2 3.69Å; I361-W378 HydrophobicContact CG2-CZ3 4.13Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.87Å; I361-S453 WeakPolarHBondContact O-CA 3.4Å; I361-L454 HydrophobicContact CB-CB 4.5Å; I361-L454 PolarHBondContact N-O 2.77Å; I361-L454 PolarHBondContact O-N 2.92Å; I361-F456 HydrophobicContact CD1-CD1 4.14Å; I361-F456 HydrophobicContact CD1-CE1 4.35Å; I361-F456 HydrophobicContact CG1-CD1 4.19Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å
362V86.7Confident75.8Confident4 Ų463.3 Ų63.32%0.02441%0.408CS..EExtended strand (participates in β ladder)trans-137.4146.5-179.1-83.60000112G319 Y320 A347 R360 W378 L452 S453G319-V362 VanDerWaalsContact O-CG2 3.3Å; G319-V362 WeakPolarHBondContact O-CG2 3.36Å; Y320-V362 HydrophobicContact CD2-CG2 3.97Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.24Å; Y320-V362 HydrophobicContact CE2-CG1 3.91Å; Y320-V362 HydrophobicContact CE2-CG2 3.73Å; Y320-V362 HydrophobicContact CG-CG2 4.37Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.58Å; R360-V362 HydrophobicContact CG-CG1 4.28Å; V362-W378 WeakPolarHBondContact O-CZ2 3.41Å; V362-L452 VanDerWaalsContact CA-O 3.28Å; V362-L452 WeakPolarHBondContact CA-O 3.22Å; V362-S453 WeakPolarHBondContact CG1-OG 3.36Å
363S83.6Confident74.8Confident3 Ų363.5 Ų63.52%0.02141%0.406CS..PPolyproline II helixtrans-76.5147.4168.653.60000111.7A347 L450 L452A347-S363 WeakPolarHBondContact CB-O 3.41Å; S363-L450 PolarHBondContact OG-O 2.96Å; S363-L452 PolarHBondContact N-O 2.9Å; S363-L452 PolarHBondContact OG-N 2.99Å
364P78.1Confident74.1Confident23 Ų2362 Ų6215%0.14940%0.398CS..PPolyproline II helixtrans-64.2144.9163.9-1729.6000112.1C349 L374C349-P364 HydrophobicContact CB-CG 3.81Å; P364-L374 HydrophobicContact CG-CD1 4.33Å
365E68.4Low73.8Confident108 Ų10859.7 Ų59.751%0.50539%0.393SS..PPolyproline II helixtrans-73.4141172.8-64.1177.6-174.200111.4H298 G367 G368H298-E365 IonicContact CD2-OE1 3.25Å; H298-E365 IonicContact CE1-OE1 2.91Å; H298-E365 IonicContact NE2-OE1 2.71Å; H298-E365 PolarHBondContact NE2-OE1 2.79Å; E365-G367 PolarHBondContact O-N 3.01Å; E365-G368 PolarHBondContact O-N 3.07Å
366P55.5Low73.7Confident67 Ų6754 Ų5444%0.43536%0.363SS..THydrogen-bonded Turntrans-67.7107177.325.8-31.9000110.8P446P366-P446 HydrophobicContact CB-CB 3.77Å
367G53.1Low73.8Confident80 Ų8059.8 Ų59.883%0.82538%0.383SS*.THydrogen-bonded Turntrans148.5-22.1-172.600000113E365E365-G367 PolarHBondContact O-N 3.01Å
368G52.7Low73.9Confident46 Ų4655.7 Ų55.747%0.47436%0.358SS..SBendtrans-61.9166.4163.300000112.4E365 V370E365-G368 PolarHBondContact O-N 3.07Å; G368-V370 PolarHBondContact O-N 2.55Å
369A45Very low74.1Confident118 Ų11851.9 Ų51.998%0.97534%0.338SS*.SBendtrans-74.135.7-172.600000115.4
370V53.6Low74.3Confident85 Ų8551.1 Ų51.152%0.51533%0.33SS..  trans-98.2153178.6-172.50000109.7G368 L374G368-V370 PolarHBondContact O-N 2.55Å; V370-L374 HydrophobicContact CG1-CD1 3.86Å
371G55.4Low74.5Confident50 Ų5051.8 Ų51.852%0.51534%0.336SS..  trans-70.6178178.800000114N373G371-N373 PolarHBondContact O-N 3.13Å
372P58.9Low74.7Confident96 Ų9651.9 Ų51.962%0.62334%0.337SS*.SBendtrans-65.2-22.3-174.626.2-35.3000114.7
373N70.2Confident74.8Confident81 Ų8153.6 Ų53.643%0.43335%0.352SS..SBendtrans-110.5122.5175-57.571.2000108.9G371 S443 E444G371-N373 PolarHBondContact O-N 3.13Å; N373-S443 CarbonylContact C-O 3.47Å; N373-S443 VanDerWaalsContact CA-O 3.32Å; N373-S443 WeakPolarHBondContact CA-O 3.32Å; N373-E444 PolarHBondContact ND2-OE1 2.76Å
374L75.9Confident75Confident20 Ų2061.8 Ų61.811%0.10539%0.39CS..EExtended strand (participates in β ladder)trans-100.7128.7178.818072.9000109C349 P364 V370 L441 S443C349-L374 HydrophobicContact CB-CD1 4.39Å; C349-L374 VanDerWaalsContact SG-CD1 3.56Å; P364-L374 HydrophobicContact CG-CD1 4.33Å; V370-L374 HydrophobicContact CG1-CD1 3.86Å; L374-L441 HydrophobicContact CD2-CD2 4.49Å; L374-S443 PolarHBondContact N-O 3.27Å; L374-S443 PolarHBondContact O-N 3.1Å
375T84.6Confident75.3Confident78 Ų7863.2 Ų63.248%0.47941%0.409SS..EExtended strand (participates in β ladder)trans-134.5105174.658.90000109.9C349 L441 L442C349-T375 PolarHBondContact SG-O 2.75Å; T375-L441 CarbonylContact C-O 3.56Å; T375-L441 WeakPolarHBondContact CA-O 3.48Å; T375-L442 HydrophobicContact CG2-CD2 3.65Å
376C87.3Confident76.3Confident0 Ų061.7 Ų61.70%040%0.399CS..EExtended strand (participates in β ladder)trans-111137.1-176.8-53.20000110.4C349 W378 E440 L441C349-C376 VanDerWaalsContact CA-SG 3.51Å; C349-C376 HydrophobicContact CB-CB 4.11Å; C349-C376 WeakPolarHBondContact CB-SG 3.32Å; C349-C376 WeakPolarHBondContact SG-CA 3.33Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.03Å; C376-W378 HydrophobicContact CB-CD2 4.49Å; C376-W378 HydrophobicContact CB-CE3 4.14Å; C376-W378 HydrophobicContact CB-CH2 3.21Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; C376-E440 WeakPolarHBondContact O-CA 3.39Å; C376-L441 HydrophobicContact CB-CB 4.39Å; C376-L441 PolarHBondContact N-O 2.03Å; C376-L441 PolarHBondContact O-N 3.09Å
377R91.1Very high78Confident128 Ų12861.7 Ų61.748%0.48339%0.39SS..EExtended strand (participates in β ladder)trans-135.6110.9-175-71.4175.5170.6125.56.7110.2G350 G351 Y438 V439 E440G350-R377 CarbonylContact C-O 3.48Å; G350-R377 WeakPolarHBondContact CA-O 3.43Å; G351-R377 PolarHBondContact N-O 3.36Å; R377-Y438 VanDerWaalsContact CD-OH 3.32Å; R377-Y438 WeakPolarHBondContact CD-OH 3.3Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; R377-V439 WeakPolarHBondContact CA-O 3.37Å; R377-E440 HydrophobicContact CG-CG 4.21Å; R377-E440 IonicContact CZ-OE1 3.59Å; R377-E440 IonicContact NE-OE1 2.68Å; R377-E440 PolarHBondContact NE-OE1 3.03Å; R377-E440 IonicContact NH2-OE1 3.6Å; R377-E440 PolarHBondContact NH2-OE1 2.93Å
378W92.9Very high79.8Confident6 Ų657.9 Ų57.92%0.02335%0.351CS..EExtended strand (participates in β ladder)trans-111.5135178.9-57.2-91.8000110.5S348 G350 G351 I361 V362 C376 V439 L441 L452S348-W378 PolarHBondContact O-NE1 3.05Å; G350-W378 VanDerWaalsContact CA-CD1 3.48Å; G350-W378 VanDerWaalsContact N-CE2 3.35Å; G350-W378 VanDerWaalsContact N-NE1 3.12Å; G351-W378 CarbonylContact O-C 3.44Å; G351-W378 VanDerWaalsContact O-CA 3.31Å; G351-W378 WeakPolarHBondContact O-CA 3.38Å; I361-W378 HydrophobicContact CD1-CB 3.76Å; I361-W378 HydrophobicContact CD1-CG 4Å; I361-W378 HydrophobicContact CG1-CB 4.49Å; I361-W378 HydrophobicContact CG1-CG 4.23Å; I361-W378 HydrophobicContact CG2-CD2 3.45Å; I361-W378 VanDerWaalsContact CG2-CD2 3.45Å; I361-W378 HydrophobicContact CG2-CE3 3.86Å; I361-W378 HydrophobicContact CG2-CG 3.82Å; I361-W378 HydrophobicContact CG2-CH2 4.04Å; I361-W378 HydrophobicContact CG2-CZ2 3.69Å; I361-W378 HydrophobicContact CG2-CZ3 4.13Å; V362-W378 WeakPolarHBondContact O-CZ2 3.41Å; C376-W378 HydrophobicContact CB-CD2 4.49Å; C376-W378 HydrophobicContact CB-CE3 4.14Å; C376-W378 HydrophobicContact CB-CH2 3.21Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; W378-V439 HydrophobicContact CB-CB 4.48Å; W378-V439 HydrophobicContact CE3-CB 4.36Å; W378-V439 HydrophobicContact CE3-CG1 4.09Å; W378-V439 HydrophobicContact CZ3-CG1 4.49Å; W378-V439 PolarHBondContact N-O 3.41Å; W378-V439 PolarHBondContact O-N 2.79Å; W378-L441 HydrophobicContact CH2-CB 4.35Å; W378-L441 HydrophobicContact CH2-CD2 4.29Å; W378-L441 HydrophobicContact CZ3-CB 3.88Å; W378-L452 HydrophobicContact CH2-CD2 4.36Å; W378-L452 HydrophobicContact CZ3-CD2 4.22Å
379V93.7Very high81.6Confident21 Ų2155.8 Ų55.813%0.12733%0.328CS..EExtended strand (participates in β ladder)trans-115.9119172.8-175.50000108.2G351 T352 I353 E381 L437 Y438G351-V379 PolarHBondContact O-N 3.07Å; T352-V379 CarbonylContact C-O 3.59Å; T352-V379 WeakPolarHBondContact CA-O 3.42Å; T352-V379 HydrophobicContact CG2-CB 4.09Å; T352-V379 HydrophobicContact CG2-CG1 4.32Å; I353-V379 PolarHBondContact N-O 3.22Å; V379-E381 HydrophobicContact CG1-CG 4.16Å; V379-L437 WeakPolarHBondContact CA-O 3.35Å; V379-Y438 HydrophobicContact CG2-CD2 3.83Å; V379-Y438 HydrophobicContact CG2-CE2 4.36Å
380I94.1Very high83.8Confident0 Ų050.1 Ų50.10%028%0.282CS..EExtended strand (participates in β ladder)trans-106.5127.6179.4-43.6173.9000107A356 I361 L388 L390 S436 L437 F456A356-I380 HydrophobicContact CB-CG2 3.52Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.87Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.82Å; I380-L388 HydrophobicContact CG2-CG 4.45Å; I380-L390 HydrophobicContact CD1-CD2 4.06Å; I380-S436 CarbonylContact O-C 3.53Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.06Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.42Å; I380-L437 PolarHBondContact N-O 2.88Å; I380-L437 PolarHBondContact O-N 3.48Å; I380-F456 HydrophobicContact CD1-CB 4.01Å; I380-F456 HydrophobicContact CD1-CD1 4.13Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.97Å; I380-F456 HydrophobicContact CG2-CE2 4.25Å; I380-F456 HydrophobicContact CG2-CG 4.29Å
381E93.6Very high85.4Confident69 Ų6947.5 Ų47.532%0.32226%0.264SS..EExtended strand (participates in β ladder)trans-127.9114.3177.7-58.4-173.3146.200109.7I353 H354 N355 A356 V379I353-E381 PolarHBondContact O-N 2.99Å; H354-E381 CarbonylContact C-O 3.57Å; H354-E381 IonicContact CE1-OE2 3.79Å; H354-E381 PolarHBondContact CE1-OE2 2.87Å; H354-E381 IonicContact CG-OE2 3.4Å; H354-E381 IonicContact ND1-OE2 3.14Å; H354-E381 PolarHBondContact ND1-OE2 2.98Å; N355-E381 CarbonylContact C-O 3.58Å; N355-E381 WeakPolarHBondContact CA-O 3.01Å; N355-E381 PolarHBondContact N-O 3.31Å; A356-E381 PolarHBondContact N-O 2.8Å; V379-E381 HydrophobicContact CG1-CG 4.16Å
382A93.4Very high86.8Confident6 Ų646.2 Ų46.25%0.0524%0.244CC..EExtended strand (participates in β ladder)trans-76.9169.4171.200000111.4R386 L388 Q435 A458A382-R386 HydrophobicContact CB-CB 3.99Å; A382-L388 HydrophobicContact CB-CD2 4.09Å; A382-L388 HydrophobicContact CB-CG 4.09Å; A382-Q435 PolarHBondContact N-O 3.5Å; A382-A458 HydrophobicContact CB-CB 3.81Å
383A90.8Very high87.8Confident40 Ų4044 Ų4433%0.33123%0.225SC..PPolyproline II helixtrans-67.5157.6167.600000111.6G385 R386A383-G385 PolarHBondContact O-N 2.86Å; A383-R386 WeakPolarHBondContact O-CB 3.33Å; A383-R386 PolarHBondContact O-N 2.9Å
384E87.2Confident88Confident175 Ų17543.5 Ų43.582%0.81822%0.218SC*.THydrogen-bonded Turntrans-55.2136.9178.9-62-174.4160.400111.8
385G84.4Confident88.2Confident53 Ų5344.8 Ų44.855%0.54623%0.226SC..THydrogen-bonded Turntrans81.213.1-178.100000115.3A383A383-G385 PolarHBondContact O-N 2.86Å
386R89.7Confident87.8Confident77 Ų7743.6 Ų43.629%0.29122%0.221SC..EExtended strand (participates in β ladder)trans-119.8146.5175.8-65.5-173.1171.3-143.4-3.6112.7A382 A383 Q435 A458 F459 E460A382-R386 HydrophobicContact CB-CB 3.99Å; A383-R386 WeakPolarHBondContact O-CB 3.33Å; A383-R386 PolarHBondContact O-N 2.9Å; R386-Q435 WeakPolarHBondContact O-CA 2.96Å; R386-A458 PolarHBondContact NH1-O 2.81Å; R386-F459 CarbonylContact C-O 3.51Å; R386-F459 WeakPolarHBondContact CA-O 3.21Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 2.97Å; R386-E460 HydrophobicContact CG-CG 4.03Å; R386-E460 IonicContact CZ-OE1 2.67Å; R386-E460 IonicContact NE-OE1 2.73Å; R386-E460 IonicContact NH2-OE1 3.06Å; R386-E460 PolarHBondContact NH2-OE1 2.91Å
387R89.9Confident87.3Confident67 Ų6745.5 Ų45.525%0.25323%0.231SC..EExtended strand (participates in β ladder)trans-101.4161.2168.7-66.5-178.8-170.2-174.87.4109.8S432 A458 F459 E461R387-S432 WeakPolarHBondContact CD-O 3.44Å; R387-S432 WeakPolarHBondContact CG-O 3.26Å; R387-A458 CarbonylContact O-C 3.57Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.4Å; R387-F459 HydrophobicContact CB-CD1 4.46Å; R387-F459 HydrophobicContact CB-CE1 3.88Å; R387-F459 HydrophobicContact CB-CE2 4.48Å; R387-F459 HydrophobicContact CB-CZ 3.9Å; R387-F459 PolarHBondContact N-O 3.02Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 2.67Å; R387-E461 HydrophobicContact CG-CG 4.19Å; R387-E461 IonicContact CZ-OE1 3.18Å; R387-E461 IonicContact NE-OE1 3.91Å; R387-E461 PolarHBondContact NE-OE1 2.77Å; R387-E461 IonicContact NH2-OE1 2.74Å; R387-E461 PolarHBondContact NH2-OE1 2.86Å
388L91.9Very high86.5Confident0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-109.1129.7176.3-70.5161.8000109.8A356 I380 A382 I431 S432 L437 E457 A458A356-L388 HydrophobicContact CB-CD2 4.12Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.82Å; I380-L388 HydrophobicContact CG2-CG 4.45Å; A382-L388 HydrophobicContact CB-CD2 4.09Å; A382-L388 HydrophobicContact CB-CG 4.09Å; L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.3Å; L388-S432 PolarHBondContact N-OG 2.84Å; L388-S432 PolarHBondContact O-N 3.07Å; L388-S432 PolarHBondContact O-OG 3.44Å; L388-L437 HydrophobicContact CB-CD1 3.5Å; L388-L437 VanDerWaalsContact CB-CD1 3.5Å; L388-L437 HydrophobicContact CB-CG 4.13Å; L388-L437 HydrophobicContact CD1-CB 4.16Å; L388-L437 HydrophobicContact CD1-CD1 4.03Å; L388-L437 HydrophobicContact CD1-CG 3.97Å; L388-L437 HydrophobicContact CG-CD1 4.4Å; L388-E457 CarbonylContact C-O 3.6Å; L388-E457 WeakPolarHBondContact CA-O 3.4Å; L388-A458 HydrophobicContact CD2-CB 3.8Å
389H90.8Very high85.6Confident1 Ų149.9 Ų49.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-95.6137.2162.4-178.6-117.9000109.2R428 L430 F456 E457 F459 F465H389-R428 PolarHBondContact NE2-O 2.78Å; H389-L430 CarbonylContact C-O 3.46Å; H389-L430 WeakPolarHBondContact CA-O 3.32Å; H389-L430 PolarHBondContact CD2-O 3.33Å; H389-L430 VanDerWaalsContact CD2-O 3.29Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.33Å; H389-E457 PolarHBondContact N-O 3.07Å; H389-E457 PolarHBondContact O-N 3.48Å; H389-F459 HydrophobicContact CB-CD1 4.27Å; H389-F459 HydrophobicContact CB-CE1 3.97Å; H389-F465 HydrophobicContact CB-CB 4.14Å; H389-F465 HydrophobicContact CB-CD1 4.39Å; H389-F465 HydrophobicContact CB-CD2 4.49Å; H389-F465 HydrophobicContact CB-CG 4.1Å; H389-F465 AromaticContact CD2-CD1 3.98Å; H389-F465 AromaticContact CD2-CE1 3.81Å; H389-F465 AromaticContact CD2-CZ 3.85Å; H389-F465 AromaticContact CE1-CD2 3.66Å; H389-F465 AromaticContact CE1-CE2 3.28Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.08Å; H389-F465 AromaticContact CE1-CZ 3.66Å; H389-F465 AromaticContact CG-CD2 3.89Å; H389-F465 AromaticContact CG-CG 3.88Å; H389-F465 AromaticContact ND1-CD2 3.56Å; H389-F465 AromaticContact ND1-CE2 3.71Å; H389-F465 AromaticContact NE2-CE1 3.84Å; H389-F465 AromaticContact NE2-CE2 3.55Å; H389-F465 AromaticContact NE2-CZ 3.39Å; H389-F465 WeakPolarHBondContact NE2-CZ 3.5Å
390L90.4Very high84.7Confident0 Ų056.3 Ų56.30%029%0.291CS..EExtended strand (participates in β ladder)trans-114.1119169.2-84.7174.4000109I380 V406 G429 L430 L437 V439 L454 R455 F456I380-L390 HydrophobicContact CD1-CD2 4.06Å; L390-V406 HydrophobicContact CD1-CG1 3.73Å; L390-V406 HydrophobicContact CD1-CG2 4.43Å; L390-G429 CarbonylContact O-C 3.53Å; L390-G429 WeakPolarHBondContact O-CA 3.36Å; L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 PolarHBondContact N-O 3.44Å; L390-L430 PolarHBondContact O-N 3.17Å; L390-L437 HydrophobicContact CD1-CD1 3.66Å; L390-L437 HydrophobicContact CG-CD1 3.73Å; L390-V439 HydrophobicContact CD1-CG2 4.02Å; L390-L454 HydrophobicContact CD2-CB 4.19Å; L390-R455 WeakPolarHBondContact CA-O 3.39Å; L390-F456 HydrophobicContact CD2-CB 3.84Å
391H87.4Confident83.9Confident29 Ų2959.1 Ų59.113%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-108.4130.5175.2178.988000110.3E393 R455 F468H391-E393 PolarHBondContact O-N 3.06Å; H391-R455 HydrophobicContact CB-CB 4.3Å; H391-R455 PolarHBondContact N-O 2.91Å; H391-R455 PolarHBondContact O-N 2.91Å; H391-F468 AromaticContact CD2-CD1 3.74Å; H391-F468 AromaticContact NE2-CD1 3.58Å
392F84.9Confident83.4Confident23 Ų2356.4 Ų56.410%0.10129%0.294CS..EExtended strand (participates in β ladder)trans-8890.5-176.6-64.4-89000110.7V395 L404 Y418 V425 P426 L430 L454F392-V395 HydrophobicContact CB-CG2 3.96Å; F392-V395 HydrophobicContact CD1-CG2 3.6Å; F392-V395 HydrophobicContact CG-CG2 4.21Å; F392-L404 HydrophobicContact CE1-CD2 4.07Å; F392-Y418 HydrophobicContact CE1-CE1 4.47Å; F392-Y418 HydrophobicContact CZ-CD1 4.31Å; F392-Y418 HydrophobicContact CZ-CE1 4.42Å; F392-V425 HydrophobicContact CB-CG1 3.75Å; F392-V425 HydrophobicContact CD1-CG1 3.86Å; F392-V425 HydrophobicContact CD2-CG1 3.91Å; F392-V425 HydrophobicContact CE1-CG1 4.41Å; F392-V425 HydrophobicContact CE2-CG1 4.46Å; F392-V425 HydrophobicContact CG-CG1 3.59Å; F392-P426 HydrophobicContact CE2-CG 4.28Å; F392-L430 HydrophobicContact CE2-CD1 3.97Å; F392-L430 HydrophobicContact CE2-CG 3.99Å; F392-L430 HydrophobicContact CZ-CD1 3.68Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; F392-L454 HydrophobicContact CB-CD2 4.46Å; F392-L454 HydrophobicContact CD1-CD2 3.22Å; F392-L454 HydrophobicContact CE1-CD2 3.66Å; F392-L454 HydrophobicContact CG-CD2 4.02Å
393E78.6Confident83.1Confident50 Ų5059.7 Ų59.723%0.23431%0.305CS..EExtended strand (participates in β ladder)trans-74.6-38.6179.3-71.1-167.1-143.500112.8R360 H391 S453 R455 F468R360-E393 IonicContact CZ-OE1 2.75Å; R360-E393 VanDerWaalsContact CZ-OE1 3.32Å; R360-E393 IonicContact CZ-OE2 2.75Å; R360-E393 IonicContact NH1-OE1 2.72Å; R360-E393 PolarHBondContact NH1-OE1 3.3Å; R360-E393 IonicContact NH1-OE2 2.81Å; R360-E393 PolarHBondContact NH1-OE2 2.91Å; R360-E393 IonicContact NH2-OE1 2.6Å; R360-E393 PolarHBondContact NH2-OE1 3.04Å; R360-E393 IonicContact NH2-OE2 2.84Å; R360-E393 PolarHBondContact NH2-OE2 3.37Å; H391-E393 PolarHBondContact O-N 3.06Å; E393-S453 PolarHBondContact N-O 3.17Å; E393-S453 VanDerWaalsContact N-O 3.08Å; E393-R455 HydrophobicContact CG-CB 4.26Å; E393-R455 WeakPolarHBondContact OE1-CB 3.44Å; E393-F468 VanDerWaalsContact CD-CE1 3.47Å; E393-F468 HydrophobicContact CG-CD1 4.34Å; E393-F468 HydrophobicContact CG-CE1 3.74Å; E393-F468 HydrophobicContact CG-CZ 4.42Å
394R76.3Confident83Confident71 Ų7157.8 Ų57.827%0.26829%0.289SS..EExtended strand (participates in β ladder)trans-145.5126.5177.9-55175.668.7101.93.4108.8L451 L452 S453R394-L451 CarbonylContact C-O 3.59Å; R394-L451 VanDerWaalsContact NE-CD2 3.28Å; R394-L452 CarbonylContact O-C 3.54Å; R394-S453 PolarHBondContact N-O 2.81Å; R394-S453 PolarHBondContact O-N 2.96Å
395V78.7Confident83.2Confident47 Ų4750.1 Ų50.129%0.28525%0.254SS..  trans-135.4121.1171.5-174.50000107.5F392 L397 V425 L451 L452F392-V395 HydrophobicContact CB-CG2 3.96Å; F392-V395 HydrophobicContact CD1-CG2 3.6Å; F392-V395 HydrophobicContact CG-CG2 4.21Å; V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.78Å; V395-V425 HydrophobicContact CB-CG2 4.21Å; V395-V425 HydrophobicContact CG1-CG2 3.97Å; V395-V425 HydrophobicContact CG2-CG1 4.09Å; V395-V425 HydrophobicContact CG2-CG2 4.35Å; V395-L451 CarbonylContact C-O 3.59Å; V395-L451 WeakPolarHBondContact CA-O 3.33Å; V395-L452 HydrophobicContact CG2-CD1 4.3Å
396S76.1Confident83.6Confident53 Ų5347.6 Ų47.637%0.37123%0.228SC..  trans-138.1103.8168.3-176.20000106.5L451S396-L451 PolarHBondContact N-O 3.29Å; S396-L451 PolarHBondContact O-N 2.64Å; S396-L451 VanDerWaalsContact O-N 3.13Å
397L76.6Confident83.8Confident40 Ų4045.3 Ų45.321%0.20922%0.219CC..  trans-121.4144.8179.8-59.2174.4000107.8V395 D402 L404 L441 L450V395-L397 HydrophobicContact CG1-CD1 3.83Å; V395-L397 HydrophobicContact CG1-CG 3.78Å; L397-D402 HydrophobicContact CB-CB 3.96Å; L397-D402 HydrophobicContact CD2-CB 4.12Å; L397-L404 HydrophobicContact CD1-CB 3.75Å; L397-L404 HydrophobicContact CD1-CD2 4.44Å; L397-L441 HydrophobicContact CD2-CD1 3.76Å; L397-L450 HydrophobicContact CD2-CD1 4.42Å; L397-L450 HydrophobicContact CD2-CD2 3.89Å; L397-L450 HydrophobicContact CD2-CG 4.06Å
398D75.8Confident83.9Confident25 Ų2542.5 Ų42.513%0.13421%0.21CC..  trans-80.7113.4170.2-168.9-57000110.4D400 N401 D402 N448D398-D400 PolarHBondContact O-N 2.91Å; D398-D400 PolarHBondContact OD1-N 3.23Å; D398-N401 HydrophobicContact CB-CB 4.09Å; D398-N401 PolarHBondContact O-N 3.12Å; D398-N401 PolarHBondContact OD1-N 3.43Å; D398-N401 PolarHBondContact OD1-ND2 2.98Å; D398-D402 HydrophobicContact CB-CB 4.33Å; D398-D402 WeakPolarHBondContact CB-OD2 3.46Å; D398-D402 PolarHBondContact N-OD2 3.41Å; D398-D402 PolarHBondContact O-N 2.81Å; D398-N448 PolarHBondContact OD2-ND2 3.08Å; D398-N448 VanDerWaalsContact OD2-ND2 3.12Å
399E73.6Confident83.9Confident201 Ų20142.9 Ų42.994%0.93921%0.214SC*.THydrogen-bonded Turntrans-55.4-26.1-175.2-65.2175.5-171.500114.4
400D74.9Confident83.7Confident155 Ų15544.2 Ų44.283%0.82923%0.228SC*.THydrogen-bonded Turntrans-95.2-17.1179.3-83.7-43.2000113.2D398D398-D400 PolarHBondContact O-N 2.91Å; D398-D400 PolarHBondContact OD1-N 3.23Å
401N76.4Confident83.6Confident60 Ų6046.3 Ų46.332%0.32124%0.243SC..THydrogen-bonded Turntrans-133.8-15.5-164.3-60.7-86.5000116.3D398 E444D398-N401 HydrophobicContact CB-CB 4.09Å; D398-N401 PolarHBondContact O-N 3.12Å; D398-N401 PolarHBondContact OD1-N 3.43Å; D398-N401 PolarHBondContact OD1-ND2 2.98Å; N401-E444 PolarHBondContact O-N 3.16Å; N401-E444 VanDerWaalsContact O-N 3.13Å
402D83.4Confident83.6Confident11 Ų1148.4 Ų48.46%0.05926%0.259CS..EExtended strand (participates in β ladder)trans-122140.5-177.2-63.4-25.4000111.3L397 D398 L442 S443 L450L397-D402 HydrophobicContact CB-CB 3.96Å; L397-D402 HydrophobicContact CD2-CB 4.12Å; D398-D402 HydrophobicContact CB-CB 4.33Å; D398-D402 WeakPolarHBondContact CB-OD2 3.46Å; D398-D402 PolarHBondContact N-OD2 3.41Å; D398-D402 PolarHBondContact O-N 2.81Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.44Å; D402-S443 WeakPolarHBondContact OD1-CA 3.42Å; D402-S443 WeakPolarHBondContact OD1-CB 3.45Å; D402-S443 PolarHBondContact OD1-OG 3.45Å; D402-L450 HydrophobicContact CB-CD1 4.28Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.33Å
403R87.4Confident83.8Confident75 Ų7555.3 Ų55.328%0.28330%0.296SS..EExtended strand (participates in β ladder)trans-138131.1178.8-178.3173.2-177165.9-4.8113M405 D419 S420 D421 L441 L442R403-M405 HydrophobicContact CG-CE 4.12Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-D419 IonicContact CZ-OD1 3.62Å; R403-D419 VanDerWaalsContact CZ-OD1 3.24Å; R403-D419 IonicContact CZ-OD2 3.98Å; R403-D419 IonicContact NE-OD1 3.79Å; R403-D419 PolarHBondContact NE-OD1 2.73Å; R403-D419 IonicContact NE-OD2 2.81Å; R403-D419 IonicContact NH2-OD1 3.11Å; R403-D419 PolarHBondContact NH2-OD1 3.34Å; R403-D419 IonicContact NH2-OD2 3.26Å; R403-D419 PolarHBondContact NH2-OD2 3.49Å; R403-S420 WeakPolarHBondContact CA-OG 3.45Å; R403-D421 WeakPolarHBondContact CD-OD1 3.44Å; R403-D421 WeakPolarHBondContact CD-OD2 3.37Å; R403-D421 WeakPolarHBondContact CG-OD1 3.24Å; R403-D421 IonicContact CZ-OD1 2.7Å; R403-D421 IonicContact CZ-OD2 2.75Å; R403-D421 IonicContact NE-OD1 3.35Å; R403-D421 PolarHBondContact NE-OD1 2.77Å; R403-D421 IonicContact NE-OD2 3.9Å; R403-D421 PolarHBondContact NE-OD2 3.25Å; R403-D421 IonicContact NH1-OD2 3.63Å; R403-D421 PolarHBondContact NH1-OD2 3.36Å; R403-D421 IonicContact NH2-OD2 3.5Å; R403-L441 WeakPolarHBondContact O-CA 3.4Å; R403-L442 PolarHBondContact N-O 2.86Å; R403-L442 PolarHBondContact O-N 3.46Å
404L89.3Confident84.4Confident0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-115120.6175.2179.162.9000110.4F392 L397 Y418 S420 V439 L441 L452F392-L404 HydrophobicContact CE1-CD2 4.07Å; L397-L404 HydrophobicContact CD1-CB 3.75Å; L397-L404 HydrophobicContact CD1-CD2 4.44Å; L404-Y418 HydrophobicContact CD2-CE1 4.23Å; L404-Y418 HydrophobicContact CG-CE1 4.36Å; L404-S420 PolarHBondContact N-OG 2.85Å; L404-S420 PolarHBondContact O-N 2.87Å; L404-V439 HydrophobicContact CD1-CG1 3.84Å; L404-L441 HydrophobicContact CB-CD1 4.46Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L404-L452 HydrophobicContact CD1-CD2 3.88Å; L404-L452 HydrophobicContact CD2-CD1 3.67Å; L404-L452 HydrophobicContact CD2-CD2 4.45Å
405M91Very high85.1Confident15 Ų1554.6 Ų54.67%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-117.9133.7175.5-75.2173.6-83.900110.8R403 R407 D419 E440 L442R403-M405 HydrophobicContact CG-CE 4.12Å; R403-M405 HydrophobicContact CG-CG 4.33Å; M405-R407 PolarHBondContact SD-NH2 2.03Å; M405-D419 WeakPolarHBondContact CG-OD1 3.34Å; M405-E440 PolarHBondContact N-O 3.29Å; M405-E440 PolarHBondContact O-N 2.77Å; M405-L442 HydrophobicContact CE-CD1 3.72Å; M405-L442 HydrophobicContact CE-CG 4.43Å
406V93.4Very high85.7Confident0 Ų055.8 Ų55.80%031%0.313CS..EExtended strand (participates in β ladder)trans-121.4133.6174.7-175.70000109.8L390 I417 Y418 L430 L437 V439L390-V406 HydrophobicContact CD1-CG1 3.73Å; L390-V406 HydrophobicContact CD1-CG2 4.43Å; V406-I417 HydrophobicContact CB-CG1 4.19Å; V406-I417 HydrophobicContact CG1-CD1 3.92Å; V406-I417 HydrophobicContact CG1-CG1 3.85Å; V406-I417 PolarHBondContact O-N 3.24Å; V406-Y418 HydrophobicContact CG2-CD1 4.23Å; V406-Y418 PolarHBondContact N-O 2.8Å; V406-Y418 PolarHBondContact O-N 3.22Å; V406-L430 HydrophobicContact CB-CD1 4.02Å; V406-L430 HydrophobicContact CG1-CD1 4.07Å; V406-L430 HydrophobicContact CG2-CD1 4.04Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; V406-V439 HydrophobicContact CG1-CG2 4.34Å; V406-V439 HydrophobicContact CG2-CG1 4.45Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å
407R93.4Very high86.4Confident28 Ų2855.6 Ų55.611%0.10631%0.307CS..EExtended strand (participates in β ladder)trans-127.4137.8-177.1-62.2176.5178.898.64.1112.2M405 G409 S414 P415 V416 L437 Y438 E440M405-R407 PolarHBondContact SD-NH2 2.03Å; R407-G409 PolarHBondContact O-N 2.93Å; R407-S414 WeakPolarHBondContact CD-O 3.42Å; R407-P415 CarbonylContact C-O 3.59Å; R407-P415 WeakPolarHBondContact CA-O 3.48Å; R407-P415 WeakPolarHBondContact CB-O 3.36Å; R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; R407-L437 WeakPolarHBondContact O-CA 3.5Å; R407-L437 WeakPolarHBondContact O-CD2 3.41Å; R407-Y438 PolarHBondContact N-O 3.34Å; R407-Y438 PolarHBondContact O-N 3.44Å; R407-E440 IonicContact CZ-OE2 2.87Å; R407-E440 IonicContact NH1-OE2 2.78Å; R407-E440 PolarHBondContact NH1-OE2 2.99Å; R407-E440 IonicContact NH2-OE2 3.41Å
408S92.5Very high87.1Confident8 Ų854 Ų546%0.05630%0.298CS..EExtended strand (participates in β ladder)trans-80.999.5178.5-174.10000110.5S414 P415 D433S408-S414 WeakPolarHBondContact O-CB 3.43Å; S408-P415 PolarHBondContact N-O 2.84Å; S408-P415 WeakPolarHBondContact O-CD 3.06Å; S408-D433 WeakPolarHBondContact CB-OD2 3.03Å; S408-D433 PolarHBondContact OG-N 3.14Å; S408-D433 VanDerWaalsContact OG-N 3.08Å; S408-D433 PolarHBondContact OG-OD2 3.39Å
409G90.2Very high87.8Confident8 Ų853.9 Ų53.98%0.08230%0.298CS..SBendtrans114.4141.4-172.900000112.8R407 S411 S414 S436 Y438R407-G409 PolarHBondContact O-N 2.93Å; G409-S411 PolarHBondContact O-N 2.85Å; G409-S414 VanDerWaalsContact C-OG 3.32Å; G409-S414 VanDerWaalsContact O-CB 3.28Å; G409-S414 WeakPolarHBondContact O-CB 3.24Å; G409-S414 PolarHBondContact O-OG 3.24Å; G409-S436 WeakPolarHBondContact CA-O 3.33Å; G409-S436 WeakPolarHBondContact CA-OG 3.43Å; G409-S436 PolarHBondContact N-O 3.42Å; G409-Y438 WeakPolarHBondContact O-CB 3.36Å
410G88.4Confident88.4Confident30 Ų3045.8 Ų45.831%0.30926%0.263SS..SBendtrans-69.134.9-172.200000118.2S436G410-S436 PolarHBondContact N-OG 3.12Å
411S88.1Confident88.9Confident43 Ų4342.4 Ų42.430%0.30125%0.245SC..SBendtrans-136.5152.2179.392.30000112.7G409 L413 S414G409-S411 PolarHBondContact O-N 2.85Å; S411-L413 PolarHBondContact O-N 3.22Å; S411-L413 PolarHBondContact OG-N 2.8Å; S411-S414 PolarHBondContact N-OG 2.97Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.26Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 PolarHBondContact O-OG 2.96Å; S411-S414 PolarHBondContact OG-N 3.08Å; S411-S414 VanDerWaalsContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 2.82Å
412P86.8Confident89.2Confident74 Ų7446 Ų4648%0.48126%0.262SS..THydrogen-bonded Turntrans-69.4-9.1174.429.2-35.9000113.8Y438P412-Y438 HydrophobicContact CB-CE1 4.11Å; P412-Y438 HydrophobicContact CB-CE2 4.21Å
413L88.8Confident89Confident168 Ų16850 Ų5088%0.8828%0.283SS*.THydrogen-bonded Turntrans-98.3-1175.9-63.1176.2000112.9S411S411-L413 PolarHBondContact O-N 3.22Å; S411-L413 PolarHBondContact OG-N 2.8Å
414S91.6Very high88.6Confident20 Ų2053.9 Ų53.914%0.1431%0.309CS..SBendtrans-69.8153.7177.8-64.90000111.6R407 S408 G409 S411 V416R407-S414 WeakPolarHBondContact CD-O 3.42Å; S408-S414 WeakPolarHBondContact O-CB 3.43Å; G409-S414 VanDerWaalsContact C-OG 3.32Å; G409-S414 VanDerWaalsContact O-CB 3.28Å; G409-S414 WeakPolarHBondContact O-CB 3.24Å; G409-S414 PolarHBondContact O-OG 3.24Å; S411-S414 PolarHBondContact N-OG 2.97Å; S411-S414 WeakPolarHBondContact O-CB 3.41Å; S411-S414 PolarHBondContact O-N 3.26Å; S411-S414 VanDerWaalsContact O-N 3.16Å; S411-S414 PolarHBondContact O-OG 2.96Å; S411-S414 PolarHBondContact OG-N 3.08Å; S411-S414 VanDerWaalsContact OG-N 3.15Å; S411-S414 PolarHBondContact OG-OG 2.82Å; S414-V416 PolarHBondContact O-N 2.98Å
415P91.8Very high88.1Confident86 Ų8656.9 Ų56.956%0.55833%0.327SS*.PPolyproline II helixtrans-57.6134.9178.723-33.7000111.9R407 S408R407-P415 CarbonylContact C-O 3.59Å; R407-P415 WeakPolarHBondContact CA-O 3.48Å; R407-P415 WeakPolarHBondContact CB-O 3.36Å; S408-P415 PolarHBondContact N-O 2.84Å; S408-P415 WeakPolarHBondContact O-CD 3.06Å
416V90.5Very high87.5Confident72 Ų7257.9 Ų57.944%0.43634%0.335SS..EExtended strand (participates in β ladder)trans-73.4133.4174179.90000109R407 S414 Y418 D419R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; S414-V416 PolarHBondContact O-N 2.98Å; V416-Y418 WeakPolarHBondContact CG1-O 3.22Å; V416-D419 HydrophobicContact CG1-CB 4.08Å
417I90.7Very high86.2Confident49 Ų4965.8 Ų65.825%0.25137%0.372SS..EExtended strand (participates in β ladder)trans-115.1-10.9174.360.3171.5000112.9V406 L430 L437V406-I417 HydrophobicContact CB-CG1 4.19Å; V406-I417 HydrophobicContact CG1-CD1 3.92Å; V406-I417 HydrophobicContact CG1-CG1 3.85Å; V406-I417 PolarHBondContact O-N 3.24Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; I417-L437 HydrophobicContact CD1-CD2 3.81Å
418Y91.3Very high85Confident7 Ų770.2 Ų70.23%0.02739%0.389CS..EExtended strand (participates in β ladder)trans-160142.7171.4174.8-102.5000110.9F392 L404 V406 V416 D423 D424 P426 L430F392-Y418 HydrophobicContact CE1-CE1 4.47Å; F392-Y418 HydrophobicContact CZ-CD1 4.31Å; F392-Y418 HydrophobicContact CZ-CE1 4.42Å; L404-Y418 HydrophobicContact CD2-CE1 4.23Å; L404-Y418 HydrophobicContact CG-CE1 4.36Å; V406-Y418 HydrophobicContact CG2-CD1 4.23Å; V406-Y418 PolarHBondContact N-O 2.8Å; V406-Y418 PolarHBondContact O-N 3.22Å; V416-Y418 WeakPolarHBondContact CG1-O 3.22Å; Y418-D423 HydrophobicContact CD2-CB 4.06Å; Y418-D423 HydrophobicContact CE2-CB 3.96Å; Y418-D423 VanDerWaalsContact CE2-O 3.28Å; Y418-D423 WeakPolarHBondContact CE2-O 3.27Å; Y418-D423 PolarHBondContact OH-O 2.95Å; Y418-D424 WeakPolarHBondContact CE2-O 3.11Å; Y418-P426 HydrophobicContact CD2-CG 3.99Å; Y418-P426 HydrophobicContact CE2-CG 4.22Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CD1-CD1 4.48Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å
419D90.1Very high84.4Confident22 Ų2270.3 Ų70.312%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-149.4112.6-178.8-161.8-3.8000109.2R403 M405 V416 D421 M422 D423R403-D419 IonicContact CZ-OD1 3.62Å; R403-D419 VanDerWaalsContact CZ-OD1 3.24Å; R403-D419 IonicContact CZ-OD2 3.98Å; R403-D419 IonicContact NE-OD1 3.79Å; R403-D419 PolarHBondContact NE-OD1 2.73Å; R403-D419 IonicContact NE-OD2 2.81Å; R403-D419 IonicContact NH2-OD1 3.11Å; R403-D419 PolarHBondContact NH2-OD1 3.34Å; R403-D419 IonicContact NH2-OD2 3.26Å; R403-D419 PolarHBondContact NH2-OD2 3.49Å; M405-D419 WeakPolarHBondContact CG-OD1 3.34Å; V416-D419 HydrophobicContact CG1-CB 4.08Å; D419-D421 PolarHBondContact O-N 3.22Å; D419-D421 VanDerWaalsContact O-N 3.08Å; D419-M422 HydrophobicContact CB-CB 4.43Å; D419-M422 HydrophobicContact CB-CG 4.23Å; D419-M422 PolarHBondContact O-N 2.67Å; D419-D423 PolarHBondContact O-N 2.75Å; D419-D423 VanDerWaalsContact O-N 3.08Å
420S87.3Confident84.3Confident31 Ų3170.9 Ų70.922%0.21739%0.392CS..THydrogen-bonded Turntrans-63.8-17.4-171.6600000115R403 L404 M422R403-S420 WeakPolarHBondContact CA-OG 3.45Å; L404-S420 PolarHBondContact N-OG 2.85Å; L404-S420 PolarHBondContact O-N 2.87Å; S420-M422 PolarHBondContact O-N 3.45Å
421D84.2Confident84.3Confident83 Ų8373 Ų7344%0.44440%0.396SS..THydrogen-bonded Turntrans-71-17.8173.1-66.923.7000112.3R403 D419R403-D421 WeakPolarHBondContact CD-OD1 3.44Å; R403-D421 WeakPolarHBondContact CD-OD2 3.37Å; R403-D421 WeakPolarHBondContact CG-OD1 3.24Å; R403-D421 IonicContact CZ-OD1 2.7Å; R403-D421 IonicContact CZ-OD2 2.75Å; R403-D421 IonicContact NE-OD1 3.35Å; R403-D421 PolarHBondContact NE-OD1 2.77Å; R403-D421 IonicContact NE-OD2 3.9Å; R403-D421 PolarHBondContact NE-OD2 3.25Å; R403-D421 IonicContact NH1-OD2 3.63Å; R403-D421 PolarHBondContact NH1-OD2 3.36Å; R403-D421 IonicContact NH2-OD2 3.5Å; D419-D421 PolarHBondContact O-N 3.22Å; D419-D421 VanDerWaalsContact O-N 3.08Å
422M82.8Confident84.4Confident137 Ų13771 Ų7168%0.67538%0.382SS*.THydrogen-bonded Turntrans-121.2-36.9-166-56.4-73.5118.500113.1D419 S420D419-M422 HydrophobicContact CB-CB 4.43Å; D419-M422 HydrophobicContact CB-CG 4.23Å; D419-M422 PolarHBondContact O-N 2.67Å; S420-M422 PolarHBondContact O-N 3.45Å
423D80.4Confident84.4Confident95 Ų9573.2 Ų73.251%0.50839%0.389SS..SBendtrans-130138.8-170.3-60.6-66.3000111.7Y418 D419Y418-D423 HydrophobicContact CD2-CB 4.06Å; Y418-D423 HydrophobicContact CE2-CB 3.96Å; Y418-D423 VanDerWaalsContact CE2-O 3.28Å; Y418-D423 WeakPolarHBondContact CE2-O 3.27Å; Y418-D423 PolarHBondContact OH-O 2.95Å; D419-D423 PolarHBondContact O-N 2.75Å; D419-D423 VanDerWaalsContact O-N 3.08Å
424D78.6Confident84.1Confident156 Ų15666.8 Ų66.883%0.83436%0.36SS*.PPolyproline II helixtrans-65.9154.1170.5-68.2-60.1000111.8Y418 P426Y418-D424 WeakPolarHBondContact CE2-O 3.11Å; D424-P426 VanDerWaalsContact O-CD 3.24Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å
425V78.5Confident84.1Confident62 Ų6270.2 Ų70.238%0.37637%0.374SS..PPolyproline II helixtrans-58118-178.5-178.60000111.3F392 V395 E427F392-V425 HydrophobicContact CB-CG1 3.75Å; F392-V425 HydrophobicContact CD1-CG1 3.86Å; F392-V425 HydrophobicContact CD2-CG1 3.91Å; F392-V425 HydrophobicContact CE1-CG1 4.41Å; F392-V425 HydrophobicContact CE2-CG1 4.46Å; F392-V425 HydrophobicContact CG-CG1 3.59Å; V395-V425 HydrophobicContact CB-CG2 4.21Å; V395-V425 HydrophobicContact CG1-CG2 3.97Å; V395-V425 HydrophobicContact CG2-CG1 4.09Å; V395-V425 HydrophobicContact CG2-CG2 4.35Å; V425-E427 PolarHBondContact O-N 3.02Å
426P79.3Confident84.1Confident37 Ų3766.9 Ų66.924%0.2435%0.353CS..PPolyproline II helixtrans-69121.1-174.6-23.734.5000114F392 Y418 D424 R428 G429 L430F392-P426 HydrophobicContact CE2-CG 4.28Å; Y418-P426 HydrophobicContact CD2-CG 3.99Å; Y418-P426 HydrophobicContact CE2-CG 4.22Å; D424-P426 VanDerWaalsContact O-CD 3.24Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å; P426-R428 VanDerWaalsContact C-N 3.25Å; P426-R428 PolarHBondContact O-N 2.99Å; P426-G429 PolarHBondContact O-N 2.94Å; P426-L430 HydrophobicContact CG-CD2 4.12Å; P426-L430 HydrophobicContact CG-CG 4.43Å
427E65.9Low84.3Confident166 Ų16663.4 Ų63.478%0.77633%0.332SS*.THydrogen-bonded Turntrans-56.8-35.8177.3-61.8-178.8156.200113.2V425 G429V425-E427 PolarHBondContact O-N 3.02Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 3.16Å
428R67.8Low84.4Confident120 Ų12061.9 Ų61.945%0.45332%0.323SS..THydrogen-bonded Turntrans-80.2-1.5178.1-69.5179.6179.7-138.2-7.7113.8H389 P426 D518 T519H389-R428 PolarHBondContact NE2-O 2.78Å; P426-R428 VanDerWaalsContact C-N 3.25Å; P426-R428 PolarHBondContact O-N 2.99Å; R428-D518 IonicContact NH2-OD1 3.77Å; R428-T519 HydrophobicContact CG-CG2 3.58Å
429G80.4Confident84.5Confident10 Ų1061.5 Ų61.510%0.10332%0.322CS..  trans68.1-161.8-16500000112.9L390 P426 E427L390-G429 CarbonylContact O-C 3.53Å; L390-G429 WeakPolarHBondContact O-CA 3.36Å; P426-G429 PolarHBondContact O-N 2.94Å; E427-G429 VanDerWaalsContact C-N 3.26Å; E427-G429 PolarHBondContact O-N 3.16Å
430L87.9Confident84.5Confident20 Ų2061.1 Ų61.111%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-124.3147.3178.7-67.2164.7000110.6H389 L390 F392 V406 I417 Y418 P426H389-L430 CarbonylContact C-O 3.46Å; H389-L430 WeakPolarHBondContact CA-O 3.32Å; H389-L430 PolarHBondContact CD2-O 3.33Å; H389-L430 VanDerWaalsContact CD2-O 3.29Å; L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 PolarHBondContact N-O 3.44Å; L390-L430 PolarHBondContact O-N 3.17Å; F392-L430 HydrophobicContact CE2-CD1 3.97Å; F392-L430 HydrophobicContact CE2-CG 3.99Å; F392-L430 HydrophobicContact CZ-CD1 3.68Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; V406-L430 HydrophobicContact CB-CD1 4.02Å; V406-L430 HydrophobicContact CG1-CD1 4.07Å; V406-L430 HydrophobicContact CG2-CD1 4.04Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; Y418-L430 VanDerWaalsContact CB-CD1 3.43Å; Y418-L430 HydrophobicContact CD1-CD1 4.48Å; Y418-L430 HydrophobicContact CG-CD1 4.02Å; P426-L430 HydrophobicContact CG-CD2 4.12Å; P426-L430 HydrophobicContact CG-CG 4.43Å
431I88.6Confident84.6Confident76 Ų7659.7 Ų59.739%0.3931%0.309SS..EExtended strand (participates in β ladder)trans-115.9141.7173.3-61.1171.9000108.4L388 F459 F465L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.3Å; I431-F459 HydrophobicContact CG2-CE1 4.34Å; I431-F459 HydrophobicContact CG2-CZ 3.91Å; I431-F465 HydrophobicContact CD1-CD1 4.35Å; I431-F465 HydrophobicContact CD1-CE1 4.1Å
432S90.2Very high84.7Confident1 Ų158.1 Ų58.11%0.00730%0.3CS..  trans-90.4136.2174.671.90000112.7R387 L388 A434R387-S432 WeakPolarHBondContact CD-O 3.44Å; R387-S432 WeakPolarHBondContact CG-O 3.26Å; L388-S432 PolarHBondContact N-OG 2.84Å; L388-S432 PolarHBondContact O-N 3.07Å; L388-S432 PolarHBondContact O-OG 3.44Å; S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.31Å; S432-A434 PolarHBondContact OG-O 2.81Å
433D85.9Confident84.6Confident120 Ų12052 Ų5264%0.64227%0.271SS*.SBendtrans-76.5-15.3168.9-29.4-92000112.2S408S408-D433 WeakPolarHBondContact CB-OD2 3.03Å; S408-D433 PolarHBondContact OG-N 3.14Å; S408-D433 VanDerWaalsContact OG-N 3.08Å; S408-D433 PolarHBondContact OG-OD2 3.39Å
434A83.4Confident84.4Confident32 Ų3253.5 Ų53.526%0.26428%0.275SS..SBendtrans-116.3160-179.500000111.4S432 S436S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.31Å; S432-A434 PolarHBondContact OG-O 2.81Å; A434-S436 PolarHBondContact O-N 3.47Å
435Q90.1Very high83.7Confident92 Ų9248.8 Ų48.843%0.4325%0.252SS..SBendtrans-65.77173.673.7-174.723.800114.9A382 R386A382-Q435 PolarHBondContact N-O 3.5Å; R386-Q435 WeakPolarHBondContact O-CA 2.96Å
436S92.6Very high82.6Confident16 Ų1650.1 Ų50.111%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-148.2155.8-176.650.70000112.2I380 G409 G410 A434I380-S436 CarbonylContact O-C 3.53Å; I380-S436 WeakPolarHBondContact O-CA 3.47Å; I380-S436 WeakPolarHBondContact O-CB 3.06Å; G409-S436 WeakPolarHBondContact CA-O 3.33Å; G409-S436 WeakPolarHBondContact CA-OG 3.43Å; G409-S436 PolarHBondContact N-O 3.42Å; G410-S436 PolarHBondContact N-OG 3.12Å; A434-S436 PolarHBondContact O-N 3.47Å
437L94.2Very high81.3Confident0 Ų052.1 Ų52.10%028%0.281CS..EExtended strand (participates in β ladder)trans-132.3141.2177.2-76.9170.3000109.9V379 I380 L388 L390 V406 R407 I417V379-L437 WeakPolarHBondContact CA-O 3.35Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.42Å; I380-L437 PolarHBondContact N-O 2.88Å; I380-L437 PolarHBondContact O-N 3.48Å; L388-L437 HydrophobicContact CB-CD1 3.5Å; L388-L437 VanDerWaalsContact CB-CD1 3.5Å; L388-L437 HydrophobicContact CB-CG 4.13Å; L388-L437 HydrophobicContact CD1-CB 4.16Å; L388-L437 HydrophobicContact CD1-CD1 4.03Å; L388-L437 HydrophobicContact CD1-CG 3.97Å; L388-L437 HydrophobicContact CG-CD1 4.4Å; L390-L437 HydrophobicContact CD1-CD1 3.66Å; L390-L437 HydrophobicContact CG-CD1 3.73Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; R407-L437 WeakPolarHBondContact O-CA 3.5Å; R407-L437 WeakPolarHBondContact O-CD2 3.41Å; I417-L437 HydrophobicContact CD1-CD2 3.81Å
438Y93.5Very high80.8Confident16 Ų1648.1 Ų48.16%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-114.2116.3171.1177.2-79000108.5R377 V379 R407 G409 P412 E440R377-Y438 VanDerWaalsContact CD-OH 3.32Å; R377-Y438 WeakPolarHBondContact CD-OH 3.3Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; V379-Y438 HydrophobicContact CG2-CD2 3.83Å; V379-Y438 HydrophobicContact CG2-CE2 4.36Å; R407-Y438 PolarHBondContact N-O 3.34Å; R407-Y438 PolarHBondContact O-N 3.44Å; G409-Y438 WeakPolarHBondContact O-CB 3.36Å; P412-Y438 HydrophobicContact CB-CE1 4.11Å; P412-Y438 HydrophobicContact CB-CE2 4.21Å; Y438-E440 HydrophobicContact CD1-CB 4.41Å; Y438-E440 HydrophobicContact CE1-CB 3.72Å; Y438-E440 HydrophobicContact CE1-CG 4.43Å; Y438-E440 PolarHBondContact OH-OE1 2.88Å
439V92.8Very high80.4Confident0 Ų045.7 Ų45.70%027%0.265CS..EExtended strand (participates in β ladder)trans-111.5128.4-179.6-177.60000108.9R377 W378 L390 L404 V406 L454R377-V439 WeakPolarHBondContact CA-O 3.37Å; W378-V439 HydrophobicContact CB-CB 4.48Å; W378-V439 HydrophobicContact CE3-CB 4.36Å; W378-V439 HydrophobicContact CE3-CG1 4.09Å; W378-V439 HydrophobicContact CZ3-CG1 4.49Å; W378-V439 PolarHBondContact N-O 3.41Å; W378-V439 PolarHBondContact O-N 2.79Å; L390-V439 HydrophobicContact CD1-CG2 4.02Å; L404-V439 HydrophobicContact CD1-CG1 3.84Å; V406-V439 HydrophobicContact CG1-CG2 4.34Å; V406-V439 HydrophobicContact CG2-CG1 4.45Å; V406-V439 HydrophobicContact CG2-CG2 4.42Å; V439-L454 HydrophobicContact CG1-CD1 4.02Å
440E91.3Very high79.6Confident14 Ų1445.6 Ų45.67%0.06526%0.262CS..EExtended strand (participates in β ladder)trans-131.2119.8-177.8179.6164.4-13100110.5C376 R377 M405 R407 Y438 L442C376-E440 WeakPolarHBondContact O-CA 3.39Å; R377-E440 HydrophobicContact CG-CG 4.21Å; R377-E440 IonicContact CZ-OE1 3.59Å; R377-E440 IonicContact NE-OE1 2.68Å; R377-E440 PolarHBondContact NE-OE1 3.03Å; R377-E440 IonicContact NH2-OE1 3.6Å; R377-E440 PolarHBondContact NH2-OE1 2.93Å; M405-E440 PolarHBondContact N-O 3.29Å; M405-E440 PolarHBondContact O-N 2.77Å; R407-E440 IonicContact CZ-OE2 2.87Å; R407-E440 IonicContact NH1-OE2 2.78Å; R407-E440 PolarHBondContact NH1-OE2 2.99Å; R407-E440 IonicContact NH2-OE2 3.41Å; Y438-E440 HydrophobicContact CD1-CB 4.41Å; Y438-E440 HydrophobicContact CE1-CB 3.72Å; Y438-E440 HydrophobicContact CE1-CG 4.43Å; Y438-E440 PolarHBondContact OH-OE1 2.88Å; E440-L442 HydrophobicContact CG-CD2 4.2Å; E440-L442 HydrophobicContact CG-CG 4.42Å
441L88.6Confident78.8Confident0 Ų046.8 Ų46.80%027%0.268CS..EExtended strand (participates in β ladder)trans-109.6128.5174.9175.969000108.9L374 T375 C376 W378 L397 R403 L404 L450 L452L374-L441 HydrophobicContact CD2-CD2 4.49Å; T375-L441 CarbonylContact C-O 3.56Å; T375-L441 WeakPolarHBondContact CA-O 3.48Å; C376-L441 HydrophobicContact CB-CB 4.39Å; C376-L441 PolarHBondContact N-O 2.03Å; C376-L441 PolarHBondContact O-N 3.09Å; W378-L441 HydrophobicContact CH2-CB 4.35Å; W378-L441 HydrophobicContact CH2-CD2 4.29Å; W378-L441 HydrophobicContact CZ3-CB 3.88Å; L397-L441 HydrophobicContact CD2-CD1 3.76Å; R403-L441 WeakPolarHBondContact O-CA 3.4Å; L404-L441 HydrophobicContact CB-CD1 4.46Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L441-L450 HydrophobicContact CD1-CD1 4.24Å; L441-L450 HydrophobicContact CD1-CD2 4.27Å; L441-L450 HydrophobicContact CD2-CD1 4.23Å; L441-L450 HydrophobicContact CD2-CD2 3.8Å; L441-L450 HydrophobicContact CG-CD1 4.5Å; L441-L452 HydrophobicContact CB-CD2 4.36Å; L441-L452 HydrophobicContact CD1-CD2 4.38Å; L441-L452 HydrophobicContact CD2-CD2 3.98Å; L441-L452 HydrophobicContact CG-CD2 4.48Å
442L86.6Confident78.5Confident51 Ų5143.2 Ų43.227%0.26725%0.25SS..EExtended strand (participates in β ladder)trans-119140.4173.2-52.9175.9000108.2T375 D402 R403 M405 E440T375-L442 HydrophobicContact CG2-CD2 3.65Å; D402-L442 CarbonylContact C-O 3.55Å; D402-L442 WeakPolarHBondContact CA-O 3.44Å; R403-L442 PolarHBondContact N-O 2.86Å; R403-L442 PolarHBondContact O-N 3.46Å; M405-L442 HydrophobicContact CE-CD1 3.72Å; M405-L442 HydrophobicContact CE-CG 4.43Å; E440-L442 HydrophobicContact CG-CD2 4.2Å; E440-L442 HydrophobicContact CG-CG 4.42Å
443S80.7Confident78.3Confident9 Ų943.5 Ų43.56%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-152.8132177.2172.10000110.2N373 L374 D402 L450N373-S443 CarbonylContact C-O 3.47Å; N373-S443 VanDerWaalsContact CA-O 3.32Å; N373-S443 WeakPolarHBondContact CA-O 3.32Å; L374-S443 PolarHBondContact N-O 3.27Å; L374-S443 PolarHBondContact O-N 3.1Å; D402-S443 WeakPolarHBondContact OD1-CA 3.42Å; D402-S443 WeakPolarHBondContact OD1-CB 3.45Å; D402-S443 PolarHBondContact OD1-OG 3.45Å; S443-L450 WeakPolarHBondContact OG-CD1 3.47Å
444E74.7Confident78.4Confident126 Ų12637.8 Ų37.859%0.58922%0.221SC*.  trans-109.4-13.9-172.5-58.2-139.1132.100115.5N373 N401N373-E444 PolarHBondContact ND2-OE1 2.76Å; N401-E444 PolarHBondContact O-N 3.16Å; N401-E444 VanDerWaalsContact O-N 3.13Å
445T65.3Low78.7Confident56 Ų5637.7 Ų37.734%0.34421%0.214SC..  trans-146.4148.1171.678.70000114.2A447T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 2.9Å
446P54.7Low78.8Confident91 Ų9133.6 Ų33.659%0.59120%0.195SC*.  trans-88.933.2-179.738.3-38.5000113.3P366P366-P446 HydrophobicContact CB-CB 3.77Å
447A51.4Low78.7Confident78 Ų7834 Ų3465%0.64520%0.195SC*.SBendtrans-70.7-35-174.200000112.9T445T445-A447 VanDerWaalsContact C-N 3.27Å; T445-A447 PolarHBondContact O-N 2.9Å
448N55.4Low78.6Confident82 Ų8234.2 Ų34.244%0.43920%0.197SC..SBendtrans-110.6153170.7-74.3-53.1000110.1D398 L450D398-N448 PolarHBondContact OD2-ND2 3.08Å; D398-N448 VanDerWaalsContact OD2-ND2 3.12Å; N448-L450 PolarHBondContact O-N 2.9Å
449P60Low78.4Confident69 Ų6934.4 Ų34.445%0.44820%0.198SC..  trans-72.191.317030.3-33000109.9L451P449-L451 PolarHBondContact O-N 3.37Å; P449-L451 VanDerWaalsContact O-N 3.07Å
450L63.4Low78.3Confident9 Ų937.5 Ų37.55%0.04721%0.213CC..  trans-59.4113.1177.7-165.7173.9000110S363 L397 D402 L441 S443 N448 L452S363-L450 PolarHBondContact OG-O 2.96Å; L397-L450 HydrophobicContact CD2-CD1 4.42Å; L397-L450 HydrophobicContact CD2-CD2 3.89Å; L397-L450 HydrophobicContact CD2-CG 4.06Å; D402-L450 HydrophobicContact CB-CD1 4.28Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.33Å; L441-L450 HydrophobicContact CD1-CD1 4.24Å; L441-L450 HydrophobicContact CD1-CD2 4.27Å; L441-L450 HydrophobicContact CD2-CD1 4.23Å; L441-L450 HydrophobicContact CD2-CD2 3.8Å; L441-L450 HydrophobicContact CG-CD1 4.5Å; S443-L450 WeakPolarHBondContact OG-CD1 3.47Å; N448-L450 PolarHBondContact O-N 2.9Å; L450-L452 HydrophobicContact CD2-CB 4.14Å
451L71.3Confident78Confident44 Ų4441.8 Ų41.823%0.2323%0.233CC..  trans-127.284.9-170.2-163.864.6000110.9R394 V395 S396 P449R394-L451 CarbonylContact C-O 3.59Å; R394-L451 VanDerWaalsContact NE-CD2 3.28Å; V395-L451 CarbonylContact C-O 3.59Å; V395-L451 WeakPolarHBondContact CA-O 3.33Å; S396-L451 PolarHBondContact N-O 3.29Å; S396-L451 PolarHBondContact O-N 2.64Å; S396-L451 VanDerWaalsContact O-N 3.13Å; P449-L451 PolarHBondContact O-N 3.37Å; P449-L451 VanDerWaalsContact O-N 3.07Å
452L82.9Confident78Confident1 Ų145.2 Ų45.21%0.00525%0.251CS..  trans-94.2127.2172-176.363.4000109.6V362 S363 W378 R394 V395 L404 L441 L450 L454V362-L452 VanDerWaalsContact CA-O 3.28Å; V362-L452 WeakPolarHBondContact CA-O 3.22Å; S363-L452 PolarHBondContact N-O 2.9Å; S363-L452 PolarHBondContact OG-N 2.99Å; W378-L452 HydrophobicContact CH2-CD2 4.36Å; W378-L452 HydrophobicContact CZ3-CD2 4.22Å; R394-L452 CarbonylContact O-C 3.54Å; V395-L452 HydrophobicContact CG2-CD1 4.3Å; L404-L452 HydrophobicContact CD1-CD2 3.88Å; L404-L452 HydrophobicContact CD2-CD1 3.67Å; L404-L452 HydrophobicContact CD2-CD2 4.45Å; L441-L452 HydrophobicContact CB-CD2 4.36Å; L441-L452 HydrophobicContact CD1-CD2 4.38Å; L441-L452 HydrophobicContact CD2-CD2 3.98Å; L441-L452 HydrophobicContact CG-CD2 4.48Å; L450-L452 HydrophobicContact CD2-CB 4.14Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.72Å; L452-L454 HydrophobicContact CD1-CG 3.78Å; L452-L454 HydrophobicContact CD2-CD1 4.29Å; L452-L454 HydrophobicContact CD2-CG 4.49Å; L452-L454 HydrophobicContact CG-CD1 4.37Å; L452-L454 HydrophobicContact CG-CG 4.04Å
453S85.4Confident78.1Confident7 Ų744.1 Ų44.15%0.04924%0.243CC..EExtended strand (participates in β ladder)trans-140.5108.8170.6-156.70000109.6R360 I361 V362 E393 R394R360-S453 WeakPolarHBondContact CD-OG 3.36Å; R360-S453 PolarHBondContact NH1-OG 3.2Å; I361-S453 WeakPolarHBondContact O-CA 3.4Å; V362-S453 WeakPolarHBondContact CG1-OG 3.36Å; E393-S453 PolarHBondContact N-O 3.17Å; E393-S453 VanDerWaalsContact N-O 3.08Å; R394-S453 PolarHBondContact N-O 2.81Å; R394-S453 PolarHBondContact O-N 2.96Å
454L88.5Confident78.6Confident0 Ų043.8 Ų43.80%024%0.241CC..EExtended strand (participates in β ladder)trans-114120.7-177.9-57.2-179.6000109.6R360 I361 L390 F392 V439 L452R360-L454 CarbonylContact C-O 3.6Å; R360-L454 VanDerWaalsContact CA-O 3.23Å; R360-L454 WeakPolarHBondContact CA-O 3.5Å; R360-L454 WeakPolarHBondContact CG-O 3.26Å; I361-L454 HydrophobicContact CB-CB 4.5Å; I361-L454 PolarHBondContact N-O 2.77Å; I361-L454 PolarHBondContact O-N 2.92Å; L390-L454 HydrophobicContact CD2-CB 4.19Å; F392-L454 HydrophobicContact CB-CD2 4.46Å; F392-L454 HydrophobicContact CD1-CD2 3.22Å; F392-L454 HydrophobicContact CE1-CD2 3.66Å; F392-L454 HydrophobicContact CG-CD2 4.02Å; V439-L454 HydrophobicContact CG1-CD1 4.02Å; L452-L454 HydrophobicContact CD1-CD1 4.16Å; L452-L454 HydrophobicContact CD1-CD2 3.72Å; L452-L454 HydrophobicContact CD1-CG 3.78Å; L452-L454 HydrophobicContact CD2-CD1 4.29Å; L452-L454 HydrophobicContact CD2-CG 4.49Å; L452-L454 HydrophobicContact CG-CD1 4.37Å; L452-L454 HydrophobicContact CG-CG 4.04Å
455R89.5Confident79.3Confident30 Ų3038.6 Ų38.611%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-83.1135.5167.7178.7-177.1-178.4-84.3-2.4108.3L358 G359 L390 H391 E393 E457L358-R455 HydrophobicContact CD1-CG 4.47Å; L358-R455 VanDerWaalsContact CD1-NH2 3.32Å; G359-R455 WeakPolarHBondContact O-CA 3.43Å; L390-R455 WeakPolarHBondContact CA-O 3.39Å; H391-R455 HydrophobicContact CB-CB 4.3Å; H391-R455 PolarHBondContact N-O 2.91Å; H391-R455 PolarHBondContact O-N 2.91Å; E393-R455 HydrophobicContact CG-CB 4.26Å; E393-R455 WeakPolarHBondContact OE1-CB 3.44Å; R455-E457 IonicContact CZ-OE2 2.67Å; R455-E457 VanDerWaalsContact CZ-OE2 3.25Å; R455-E457 IonicContact NH1-OE2 2.74Å; R455-E457 PolarHBondContact NH1-OE2 2.96Å; R455-E457 IonicContact NH2-OE2 3.7Å; R455-E457 PolarHBondContact NH2-OE2 2.74Å
456F91.4Very high80.4Confident7 Ų736.9 Ų36.93%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-123142.3173.566.3-98.2000111.4I353 A356 L358 G359 I361 I380 H389 L390I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.29Å; I353-F456 HydrophobicContact CG2-CZ 3.94Å; A356-F456 HydrophobicContact CB-CD2 4.17Å; A356-F456 HydrophobicContact CB-CE2 3.82Å; L358-F456 CarbonylContact C-O 3.56Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; G359-F456 VanDerWaalsContact C-CE1 3.43Å; G359-F456 VanDerWaalsContact CA-CZ 3.47Å; G359-F456 PolarHBondContact N-O 3.39Å; G359-F456 PolarHBondContact O-N 2.92Å; I361-F456 HydrophobicContact CD1-CD1 4.14Å; I361-F456 HydrophobicContact CD1-CE1 4.35Å; I361-F456 HydrophobicContact CG1-CD1 4.19Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å; I380-F456 HydrophobicContact CD1-CB 4.01Å; I380-F456 HydrophobicContact CD1-CD1 4.13Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.97Å; I380-F456 HydrophobicContact CG2-CE2 4.25Å; I380-F456 HydrophobicContact CG2-CG 4.29Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.33Å; L390-F456 HydrophobicContact CD2-CB 3.84Å
457E91.4Very high81.9Confident24 Ų2432.9 Ų32.911%0.11218%0.182CC..EExtended strand (participates in β ladder)trans-139138.3-179.8-170177.5121.800110.7L358 L388 H389 R455 A466L358-E457 HydrophobicContact CD1-CB 4.14Å; L358-E457 HydrophobicContact CD1-CG 4.17Å; L388-E457 CarbonylContact C-O 3.6Å; L388-E457 WeakPolarHBondContact CA-O 3.4Å; H389-E457 PolarHBondContact N-O 3.07Å; H389-E457 PolarHBondContact O-N 3.48Å; R455-E457 IonicContact CZ-OE2 2.67Å; R455-E457 VanDerWaalsContact CZ-OE2 3.25Å; R455-E457 IonicContact NH1-OE2 2.74Å; R455-E457 PolarHBondContact NH1-OE2 2.96Å; R455-E457 IonicContact NH2-OE2 3.7Å; R455-E457 PolarHBondContact NH2-OE2 2.74Å; E457-A466 WeakPolarHBondContact OE1-CB 3.17Å; E457-A466 PolarHBondContact OE1-N 3Å
458A91.8Very high83.3Confident5 Ų531.6 Ų31.64%0.04116%0.162CC..EExtended strand (participates in β ladder)trans-110.1103.2-178.800000112.2A356 T357 A382 R386 R387 L388A356-A458 WeakPolarHBondContact O-CB 3.35Å; T357-A458 PolarHBondContact O-N 2.74Å; A382-A458 HydrophobicContact CB-CB 3.81Å; R386-A458 PolarHBondContact NH1-O 2.81Å; R387-A458 CarbonylContact O-C 3.57Å; R387-A458 VanDerWaalsContact O-CA 3.31Å; R387-A458 WeakPolarHBondContact O-CA 3.4Å; L388-A458 HydrophobicContact CD2-CB 3.8Å
459F90.4Very high84.7Confident19 Ų1928.2 Ų28.28%0.08314%0.144CC..EExtended strand (participates in β ladder)trans-109.3161.1-174.469.9-76.8000111.9R386 R387 H389 I431 F465R386-F459 CarbonylContact C-O 3.51Å; R386-F459 WeakPolarHBondContact CA-O 3.21Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 2.97Å; R387-F459 HydrophobicContact CB-CD1 4.46Å; R387-F459 HydrophobicContact CB-CE1 3.88Å; R387-F459 HydrophobicContact CB-CE2 4.48Å; R387-F459 HydrophobicContact CB-CZ 3.9Å; R387-F459 PolarHBondContact N-O 3.02Å; R387-F459 WeakPolarHBondContact O-CD1 3.45Å; R387-F459 PolarHBondContact O-N 2.67Å; H389-F459 HydrophobicContact CB-CD1 4.27Å; H389-F459 HydrophobicContact CB-CE1 3.97Å; I431-F459 HydrophobicContact CG2-CE1 4.34Å; I431-F459 HydrophobicContact CG2-CZ 3.91Å; F459-F465 HydrophobicContact CB-CB 4.33Å; F459-F465 HydrophobicContact CD1-CB 3.79Å; F459-F465 HydrophobicContact CD2-CB 4.25Å; F459-F465 HydrophobicContact CE1-CB 4.1Å; F459-F465 HydrophobicContact CG-CB 3.87Å; F459-F465 HydrophobicContact CZ-CB 4.46Å; F459-F465 HydrophobicContact CZ-CD1 4.46Å
460E88.9Confident85.6Confident65 Ų6527 Ų2730%0.30414%0.14SC..EExtended strand (participates in β ladder)trans-87.5152.3180-65.4170.9177.800110.6R386 D462 R463R386-E460 HydrophobicContact CG-CG 4.03Å; R386-E460 IonicContact CZ-OE1 2.67Å; R386-E460 IonicContact NE-OE1 2.73Å; R386-E460 IonicContact NH2-OE1 3.06Å; R386-E460 PolarHBondContact NH2-OE1 2.91Å; E460-D462 WeakPolarHBondContact CB-OD1 3.38Å; E460-D462 PolarHBondContact O-N 2.88Å; E460-D462 VanDerWaalsContact O-N 3.11Å; E460-R463 HydrophobicContact CB-CG 4.47Å; E460-R463 WeakPolarHBondContact O-CG 3.43Å; E460-R463 IonicContact OE2-CZ 3.77Å; E460-R463 IonicContact OE2-NE 2.83Å; E460-R463 PolarHBondContact OE2-NE 2.93Å; E460-R463 IonicContact OE2-NH2 3.83Å; E460-R463 PolarHBondContact OE2-NH2 2.93Å
461E85.7Confident86.6Confident105 Ų10530.1 Ų30.149%0.49115%0.154SC..THydrogen-bonded Turntrans-69.5-7.8-173.7-54.9-167.811900114.8R387R387-E461 HydrophobicContact CG-CG 4.19Å; R387-E461 IonicContact CZ-OE1 3.18Å; R387-E461 IonicContact NE-OE1 3.91Å; R387-E461 PolarHBondContact NE-OE1 2.77Å; R387-E461 IonicContact NH2-OE1 2.74Å; R387-E461 PolarHBondContact NH2-OE1 2.86Å
462D87.9Confident87.2Confident71 Ų7128.8 Ų28.838%0.3815%0.151SC..THydrogen-bonded Turntrans-95.26.6-176.374.3-40000114.5E460 R482 P483E460-D462 WeakPolarHBondContact CB-OD1 3.38Å; E460-D462 PolarHBondContact O-N 2.88Å; E460-D462 VanDerWaalsContact O-N 3.11Å; D462-R482 IonicContact OD2-NH1 3.95Å; D462-P483 WeakPolarHBondContact O-CD 3.36Å
463R89.9Confident87.5Confident28 Ų2833.2 Ų33.211%0.10618%0.175CC..SBendtrans-152163.7-172.366.9-162.969.3-129.510.4112.2E460 E480 Y481E460-R463 HydrophobicContact CB-CG 4.47Å; E460-R463 WeakPolarHBondContact O-CG 3.43Å; E460-R463 IonicContact OE2-CZ 3.77Å; E460-R463 IonicContact OE2-NE 2.83Å; E460-R463 PolarHBondContact OE2-NE 2.93Å; E460-R463 IonicContact OE2-NH2 3.83Å; E460-R463 PolarHBondContact OE2-NH2 2.93Å; R463-E480 WeakPolarHBondContact CD-O 3.26Å; R463-E480 IonicContact CZ-OE2 3.45Å; R463-E480 PolarHBondContact NH1-O 3.26Å; R463-E480 IonicContact NH1-OE2 3.22Å; R463-E480 PolarHBondContact NH1-OE2 3.01Å; R463-E480 IonicContact NH2-OE2 2.77Å; R463-Y481 WeakPolarHBondContact CB-O 3.48Å
464C90.5Very high87.7Confident3 Ų335 Ų352%0.0219%0.185CC..PPolyproline II helixtrans-76.5154169.7-62.40000111.3Y481 C508 H515 W516C464-Y481 PolarHBondContact N-O 3.38Å; C464-Y481 WeakPolarHBondContact O-CB 3.48Å; C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.5Å; C464-C508 PolarHBondContact N-SG 2.89Å; C464-C508 WeakPolarHBondContact SG-CA 3.49Å; C464-C508 WeakPolarHBondContact SG-CB 3.44Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.85Å; C464-H515 PolarHBondContact SG-N 3.19Å; C464-W516 HydrophobicContact CB-CD2 4Å; C464-W516 VanDerWaalsContact CB-CE2 3.44Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.3Å; C464-W516 HydrophobicContact CB-CZ2 3.59Å
465F89.4Confident87.8Confident16 Ų1638.7 Ų38.77%0.0721%0.208CC..PPolyproline II helixtrans-68.9155.4171.461.6-95.2000111.1H389 I431 F459 P467 W516 E520H389-F465 HydrophobicContact CB-CB 4.14Å; H389-F465 HydrophobicContact CB-CD1 4.39Å; H389-F465 HydrophobicContact CB-CD2 4.49Å; H389-F465 HydrophobicContact CB-CG 4.1Å; H389-F465 AromaticContact CD2-CD1 3.98Å; H389-F465 AromaticContact CD2-CE1 3.81Å; H389-F465 AromaticContact CD2-CZ 3.85Å; H389-F465 AromaticContact CE1-CD2 3.66Å; H389-F465 AromaticContact CE1-CE2 3.28Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.08Å; H389-F465 AromaticContact CE1-CZ 3.66Å; H389-F465 AromaticContact CG-CD2 3.89Å; H389-F465 AromaticContact CG-CG 3.88Å; H389-F465 AromaticContact ND1-CD2 3.56Å; H389-F465 AromaticContact ND1-CE2 3.71Å; H389-F465 AromaticContact NE2-CE1 3.84Å; H389-F465 AromaticContact NE2-CE2 3.55Å; H389-F465 AromaticContact NE2-CZ 3.39Å; H389-F465 WeakPolarHBondContact NE2-CZ 3.5Å; I431-F465 HydrophobicContact CD1-CD1 4.35Å; I431-F465 HydrophobicContact CD1-CE1 4.1Å; F459-F465 HydrophobicContact CB-CB 4.33Å; F459-F465 HydrophobicContact CD1-CB 3.79Å; F459-F465 HydrophobicContact CD2-CB 4.25Å; F459-F465 HydrophobicContact CE1-CB 4.1Å; F459-F465 HydrophobicContact CG-CB 3.87Å; F459-F465 HydrophobicContact CZ-CB 4.46Å; F459-F465 HydrophobicContact CZ-CD1 4.46Å; F465-P467 WeakPolarHBondContact O-CD 3.43Å; F465-W516 AromaticContact CD2-NE1 4Å; F465-W516 AromaticContact CE1-CD1 3.76Å; F465-W516 AromaticContact CE2-CD1 3.82Å; F465-W516 AromaticContact CE2-NE1 3.9Å; F465-W516 AromaticContact CZ-CD1 3.52Å; F465-W516 WeakPolarHBondContact O-CZ2 3.34Å; F465-W516 PolarHBondContact O-NE1 2.82Å; F465-E520 WeakPolarHBondContact CE2-OE1 3.05Å
466A88.1Confident87.9Confident20 Ų2039.5 Ų39.517%0.16522%0.216CC..PPolyproline II helixtrans-73.2120.2-179.800000110.7E457 Y481E457-A466 WeakPolarHBondContact OE1-CB 3.17Å; E457-A466 PolarHBondContact OE1-N 3Å; A466-Y481 HydrophobicContact CB-CD2 3.95Å; A466-Y481 HydrophobicContact CB-CE2 3.38Å
467P86.8Confident87.9Confident8 Ų843.9 Ų43.95%0.05224%0.243CC..PPolyproline II helixtrans-70.7144.4-176.627.3-31.9000110.9F465 V474 A487 F489 I506 W516 E520F465-P467 WeakPolarHBondContact O-CD 3.43Å; P467-V474 HydrophobicContact CG-CG1 4.21Å; P467-A487 HydrophobicContact CG-CB 3.85Å; P467-F489 HydrophobicContact CB-CE1 4.09Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.35Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; P467-I506 HydrophobicContact CB-CD1 4.02Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; P467-E520 WeakPolarHBondContact CA-OE1 3.31Å; P467-E520 HydrophobicContact CB-CG 3.48Å; P467-E520 VanDerWaalsContact CB-CG 3.48Å
468F81.4Confident87.8Confident50 Ų5044.7 Ų44.722%0.21925%0.249CC..  trans-109.5137.7-175.9177.1-106.1000111.8H391 E393 A470H391-F468 AromaticContact CD2-CD1 3.74Å; H391-F468 AromaticContact NE2-CD1 3.58Å; E393-F468 VanDerWaalsContact CD-CE1 3.47Å; E393-F468 HydrophobicContact CG-CD1 4.34Å; E393-F468 HydrophobicContact CG-CE1 3.74Å; E393-F468 HydrophobicContact CG-CZ 4.42Å; F468-A470 HydrophobicContact CE1-CB 3.92Å; F468-A470 HydrophobicContact CZ-CB 4.25Å
469L83.4Confident87.7Confident12 Ų1249.6 Ų49.66%0.06328%0.28CS..  trans-130.699.5177.2-173.766.3000109.9H471 G472 V474 F489 S490 P521 C523L469-H471 PolarHBondContact O-N 3.47Å; L469-G472 PolarHBondContact O-N 2.85Å; L469-V474 HydrophobicContact CB-CG2 3.79Å; L469-F489 HydrophobicContact CB-CD1 4.27Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.07Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.48Å; L469-S490 VanDerWaalsContact CD2-O 3.29Å; L469-S490 WeakPolarHBondContact CD2-O 3.36Å; L469-P521 WeakPolarHBondContact CD1-O 3.32Å; L469-C523 HydrophobicContact CD1-CB 4.44Å
470A79.5Confident87.6Confident43 Ų4353 Ų5336%0.35530%0.296SS..THydrogen-bonded Turntrans-58136.2170.400000109.9F468 G472 C523F468-A470 HydrophobicContact CE1-CB 3.92Å; F468-A470 HydrophobicContact CZ-CB 4.25Å; A470-G472 PolarHBondContact O-N 2.95Å; A470-C523 WeakPolarHBondContact O-CB 3.26Å
471H83.9Confident87.7Confident74 Ų7451.8 Ų51.834%0.34329%0.289SS..THydrogen-bonded Turntrans53.931.6-179.3-51.3-61.2000115.4L469 L492 Y495 C523 P544L469-H471 PolarHBondContact O-N 3.47Å; H471-L492 WeakPolarHBondContact O-CB 3.08Å; H471-L492 WeakPolarHBondContact O-CG 3.39Å; H471-L492 PolarHBondContact O-N 2.88Å; H471-Y495 HydrophobicContact CB-CD1 3.74Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.59Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 3.96Å; H471-Y495 AromaticContact CG-CE1 3.53Å; H471-Y495 AromaticContact CG-CZ 3.53Å; H471-Y495 AromaticContact ND1-CZ 3.85Å; H471-C523 HydrophobicContact CB-CB 4.48Å; H471-P544 VanDerWaalsContact NE2-CD 3.32Å; H471-P544 WeakPolarHBondContact NE2-CD 3.48Å
472G85.4Confident88Confident16 Ų1652 Ų5217%0.16529%0.285CS..EExtended strand (participates in β ladder)trans-150.1-179.5174.400000113.8L469 A470 S490L469-G472 PolarHBondContact O-N 2.85Å; A470-G472 PolarHBondContact O-N 2.95Å; G472-S490 CarbonylContact C-O 3.53Å; G472-S490 WeakPolarHBondContact CA-O 3.19Å
473N88.6Confident88.3Confident95 Ų9551 Ų5151%0.50828%0.283SS..EExtended strand (participates in β ladder)trans-117.4132.8174.9-61-48.3000109.9S490N473-S490 PolarHBondContact N-O 2.78Å; N473-S490 PolarHBondContact O-N 3Å; N473-S490 PolarHBondContact O-OG 3.38Å
474V89.4Confident88.3Confident45 Ų4552.1 Ų52.127%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-96.1141.5169.5-172.70000109.2P467 L469 A487 F489P467-V474 HydrophobicContact CG-CG1 4.21Å; L469-V474 HydrophobicContact CB-CG2 3.79Å; V474-A487 HydrophobicContact CG1-CB 4.22Å; V474-F489 HydrophobicContact CG1-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CE1 4.27Å; V474-F489 HydrophobicContact CG2-CD1 3.92Å; V474-F489 HydrophobicContact CG2-CE1 3.96Å
475T90.7Very high88.4Confident77 Ų7752.1 Ų52.147%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-128.5146.5172.143.10000108.6A487 T488T475-A487 CarbonylContact O-C 3.55Å; T475-A487 WeakPolarHBondContact O-CA 3.35Å; T475-T488 PolarHBondContact N-O 3.42Å; T475-T488 PolarHBondContact O-N 2.96Å; T475-T488 PolarHBondContact O-OG1 2.99Å; T475-T488 PolarHBondContact OG1-O 3.32Å; T475-T488 VanDerWaalsContact OG1-O 3.06Å; T475-T488 PolarHBondContact OG1-OG1 3.41Å
476T91.2Very high88.5Confident46 Ų4654.5 Ų54.528%0.28232%0.316SS..EExtended strand (participates in β ladder)trans-138.7149.7-174.81770000112D478 Y481 L486T476-D478 VanDerWaalsContact C-N 3.3Å; T476-D478 WeakPolarHBondContact CG2-O 3.3Å; T476-D478 PolarHBondContact OG1-N 3.32Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.81Å; T476-Y481 HydrophobicContact CG2-CE1 3.84Å; T476-L486 WeakPolarHBondContact CA-O 3.31Å
477T91.8Very high88.7Confident99 Ų9953.5 Ų53.561%0.60731%0.308SS*.SBendtrans-72.2-24.1170.658.30000113L486T477-L486 HydrophobicContact CG2-CB 3.95Å; T477-L486 PolarHBondContact N-O 2.98Å; T477-L486 PolarHBondContact OG1-N 3.34Å
478D90.2Very high88.9Confident41 Ų4155.4 Ų55.422%0.21932%0.32CS..  trans-139.6116.1177.3-177.61.1000109.6T476 E480 Y481 R482 A485T476-D478 VanDerWaalsContact C-N 3.3Å; T476-D478 WeakPolarHBondContact CG2-O 3.3Å; T476-D478 PolarHBondContact OG1-N 3.32Å; T476-D478 VanDerWaalsContact OG1-N 3.12Å; T476-D478 PolarHBondContact OG1-O 2.81Å; D478-E480 PolarHBondContact O-N 3.43Å; D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.4Å; D478-Y481 PolarHBondContact O-N 2.79Å; D478-R482 WeakPolarHBondContact OD2-CB 3.39Å; D478-R482 WeakPolarHBondContact OD2-CD 3.36Å; D478-R482 WeakPolarHBondContact OD2-CG 3.48Å; D478-A485 HydrophobicContact CB-CB 3.93Å
479P88.3Confident89.3Confident108 Ų10853.5 Ų53.570%0.70131%0.311SS*.THydrogen-bonded Turntrans-67.3-11.9177.930.9-37.5000113.6
480E88.3Confident89.5Confident92 Ų9255.3 Ų55.343%0.4333%0.325SS..THydrogen-bonded Turntrans-951.7176.7-94.4-169.7-132.500114R463 D478 R482R463-E480 WeakPolarHBondContact CD-O 3.26Å; R463-E480 IonicContact CZ-OE2 3.45Å; R463-E480 PolarHBondContact NH1-O 3.26Å; R463-E480 IonicContact NH1-OE2 3.22Å; R463-E480 PolarHBondContact NH1-OE2 3.01Å; R463-E480 IonicContact NH2-OE2 2.77Å; D478-E480 PolarHBondContact O-N 3.43Å; D478-E480 WeakPolarHBondContact OD1-CB 3.17Å; D478-E480 PolarHBondContact OD1-N 3.4Å; E480-R482 HydrophobicContact CB-CG 4.2Å; E480-R482 PolarHBondContact O-N 3.06Å; E480-R482 VanDerWaalsContact O-N 3.1Å; E480-R482 IonicContact OE2-CZ 3.11Å; E480-R482 IonicContact OE2-NE 2.87Å; E480-R482 PolarHBondContact OE2-NE 3.4Å; E480-R482 IonicContact OE2-NH2 2.65Å; E480-R482 PolarHBondContact OE2-NH2 3.04Å
481Y91.4Very high90Very high39 Ų3954.8 Ų54.815%0.15332%0.319CS..  trans5034.2173.8-58.1-67.4000115.6R463 C464 A466 T476 D478 A487 C508 W516R463-Y481 WeakPolarHBondContact CB-O 3.48Å; C464-Y481 PolarHBondContact N-O 3.38Å; C464-Y481 WeakPolarHBondContact O-CB 3.48Å; A466-Y481 HydrophobicContact CB-CD2 3.95Å; A466-Y481 HydrophobicContact CB-CE2 3.38Å; T476-Y481 HydrophobicContact CG2-CE1 3.84Å; D478-Y481 PolarHBondContact O-N 2.79Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; Y481-C508 PolarHBondContact O-SG 2.89Å; Y481-C508 VanDerWaalsContact O-SG 3.33Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CE1-CH2 4.46Å; Y481-W516 HydrophobicContact CE1-CZ2 4.49Å; Y481-W516 HydrophobicContact CG-CZ2 4.3Å
482R92.2Very high90.3Very high108 Ų10854.5 Ų54.541%0.40832%0.319SS..  trans-66.3159.4177.7-63169.5171.8-87.2-1.2111.1D462 D478 E480 G484 A485D462-R482 IonicContact OD2-NH1 3.95Å; D478-R482 WeakPolarHBondContact OD2-CB 3.39Å; D478-R482 WeakPolarHBondContact OD2-CD 3.36Å; D478-R482 WeakPolarHBondContact OD2-CG 3.48Å; E480-R482 HydrophobicContact CB-CG 4.2Å; E480-R482 PolarHBondContact O-N 3.06Å; E480-R482 VanDerWaalsContact O-N 3.1Å; E480-R482 IonicContact OE2-CZ 3.11Å; E480-R482 IonicContact OE2-NE 2.87Å; E480-R482 PolarHBondContact OE2-NE 3.4Å; E480-R482 IonicContact OE2-NH2 2.65Å; E480-R482 PolarHBondContact OE2-NH2 3.04Å; R482-G484 PolarHBondContact O-N 3.3Å; R482-A485 WeakPolarHBondContact O-CB 3.43Å; R482-A485 PolarHBondContact O-N 2.97Å
483P92.9Very high90.4Very high52 Ų5258 Ų5834%0.33834%0.339SS..THydrogen-bonded Turntrans-51.6126.3173.9-2936000112.6D462 C508 P511 P514D462-P483 WeakPolarHBondContact O-CD 3.36Å; P483-C508 CarbonylContact C-O 3.59Å; P483-C508 WeakPolarHBondContact CA-O 3.3Å; P483-P511 HydrophobicContact CB-CB 4.4Å; P483-P514 HydrophobicContact CG-CB 4.14Å; P483-P514 HydrophobicContact CG-CG 3.9Å
484G90.4Very high90.3Very high51 Ų5155 Ų5553%0.52633%0.33SS..THydrogen-bonded Turntrans94.30.8-169.300000115.2R482 C508R482-G484 PolarHBondContact O-N 3.3Å; G484-C508 PolarHBondContact N-O 2.89Å
485A92.5Very high90.2Very high2 Ų254.6 Ų54.62%0.01732%0.324CS..  trans-74.1135.7171.400000111.6D478 R482 E507 C508D478-A485 HydrophobicContact CB-CB 3.93Å; R482-A485 WeakPolarHBondContact O-CB 3.43Å; R482-A485 PolarHBondContact O-N 2.97Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; A485-C508 HydrophobicContact CB-CB 4.37Å; A485-C508 PolarHBondContact O-N 2.98Å
486L93.1Very high90Very high66 Ų6652.9 Ų52.935%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-110.2122.2175.2-174.379.2000109.7T476 T477 A505 I506 E507T476-L486 WeakPolarHBondContact CA-O 3.31Å; T477-L486 HydrophobicContact CG2-CB 3.95Å; T477-L486 PolarHBondContact N-O 2.98Å; T477-L486 PolarHBondContact OG1-N 3.34Å; L486-A505 HydrophobicContact CD1-CB 3.89Å; L486-A505 HydrophobicContact CD2-CB 4.38Å; L486-A505 HydrophobicContact CG-CB 4.07Å; L486-I506 CarbonylContact C-O 3.54Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; L486-E507 HydrophobicContact CD1-CB 4.24Å
487A91.4Very high89.8Confident0 Ų052.7 Ų52.70%031%0.314CS..EExtended strand (participates in β ladder)trans-105.8114.3176.100000110.6P467 V474 T475 Y481 F489 A505 I506 W516P467-A487 HydrophobicContact CG-CB 3.85Å; V474-A487 HydrophobicContact CG1-CB 4.22Å; T475-A487 CarbonylContact O-C 3.55Å; T475-A487 WeakPolarHBondContact O-CA 3.35Å; Y481-A487 HydrophobicContact CE1-CB 4.44Å; A487-F489 WeakPolarHBondContact O-CE2 3.28Å; A487-A505 CarbonylContact O-C 3.54Å; A487-A505 WeakPolarHBondContact O-CA 3.36Å; A487-I506 HydrophobicContact CB-CG1 4.17Å; A487-I506 PolarHBondContact N-O 2.84Å; A487-I506 PolarHBondContact O-N 2.88Å; A487-W516 HydrophobicContact CB-CH2 3.98Å; A487-W516 HydrophobicContact CB-CZ3 4.25Å
488T90.7Very high89.3Confident47 Ų4751.7 Ų51.729%0.28830%0.303SS..EExtended strand (participates in β ladder)trans-97.6134.3-179.933.10000112.4T475 A505T475-T488 PolarHBondContact N-O 3.42Å; T475-T488 PolarHBondContact O-N 2.96Å; T475-T488 PolarHBondContact O-OG1 2.99Å; T475-T488 PolarHBondContact OG1-O 3.32Å; T475-T488 VanDerWaalsContact OG1-O 3.06Å; T475-T488 PolarHBondContact OG1-OG1 3.41Å; T488-A505 HydrophobicContact CG2-CB 3.54Å
489F89.4Confident88.5Confident10 Ų1054.3 Ų54.34%0.04432%0.322CS..EExtended strand (participates in β ladder)trans-105.1146.7-173.7-59.7-79.1000113.2P467 L469 V474 A487 L497 N504 I506 E520 P521P467-F489 HydrophobicContact CB-CE1 4.09Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.35Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; L469-F489 HydrophobicContact CB-CD1 4.27Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.07Å; L469-F489 HydrophobicContact CD2-CD1 4.03Å; L469-F489 HydrophobicContact CG-CD1 4.48Å; V474-F489 HydrophobicContact CG1-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CE1 4.27Å; V474-F489 HydrophobicContact CG2-CD1 3.92Å; V474-F489 HydrophobicContact CG2-CE1 3.96Å; A487-F489 WeakPolarHBondContact O-CE2 3.28Å; F489-L497 HydrophobicContact CB-CD2 4.22Å; F489-N504 PolarHBondContact N-O 3.05Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.08Å; F489-I506 HydrophobicContact CE2-CG1 3.75Å; F489-I506 HydrophobicContact CE2-CG2 4.12Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.18Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 3.99Å; F489-P521 HydrophobicContact CB-CG 3.85Å; F489-P521 HydrophobicContact CD1-CG 4.25Å; F489-P521 VanDerWaalsContact CD2-CD 3.46Å; F489-P521 HydrophobicContact CD2-CG 3.64Å; F489-P521 HydrophobicContact CE2-CG 4.24Å; F489-P521 HydrophobicContact CG-CG 3.65Å
490S89.2Confident87.2Confident50 Ų5054.6 Ų54.635%0.3532%0.324SS..EExtended strand (participates in β ladder)trans-151.6137.5176.4590000111.2L469 G472 N473L469-S490 VanDerWaalsContact CD2-O 3.29Å; L469-S490 WeakPolarHBondContact CD2-O 3.36Å; G472-S490 CarbonylContact C-O 3.53Å; G472-S490 WeakPolarHBondContact CA-O 3.19Å; N473-S490 PolarHBondContact N-O 2.78Å; N473-S490 PolarHBondContact O-N 3Å; N473-S490 PolarHBondContact O-OG 3.38Å
491C89.8Confident85.9Confident33 Ų3352.1 Ų52.122%0.22332%0.323CS..EExtended strand (participates in β ladder)trans-89.7157.4-179.4-61.40000113.2Y495 L497 C523C491-Y495 WeakPolarHBondContact CB-O 2.96Å; C491-L497 WeakPolarHBondContact SG-CD2 3.18Å; C491-C523 WeakPolarHBondContact CA-SG 3.46Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.41Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.83Å
492L90Very high84.5Confident67 Ų6755.9 Ų55.935%0.35135%0.352SS..PPolyproline II helixtrans-71.2156.7169-66.4176000111.3H471 G494 Y495H471-L492 WeakPolarHBondContact O-CB 3.08Å; H471-L492 WeakPolarHBondContact O-CG 3.39Å; H471-L492 PolarHBondContact O-N 2.88Å; L492-G494 PolarHBondContact O-N 3.42Å; L492-Y495 HydrophobicContact CB-CD2 4.22Å; L492-Y495 PolarHBondContact O-N 3.06Å
493P87.9Confident83.1Confident91 Ų9154 Ų5459%0.59135%0.354SS*.THydrogen-bonded Turntrans-53.6128.4178.8-27.836.1000113.1V537P493-V537 HydrophobicContact CB-CG2 4.11Å
494G85Confident82.4Confident30 Ų3055.7 Ų55.731%0.30936%0.36SS..THydrogen-bonded Turntrans96.1-8.6-175.500000115L492 V537L492-G494 PolarHBondContact O-N 3.42Å; G494-V537 VanDerWaalsContact CA-O 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.26Å
495Y88.3Confident82.2Confident38 Ų3854.1 Ų54.115%0.14934%0.342CS..  trans-112.8152174.7-60.7-100.7000111.1H471 C491 L492 K524 A525 L539 W543H471-Y495 HydrophobicContact CB-CD1 3.74Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.59Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 3.96Å; H471-Y495 AromaticContact CG-CE1 3.53Å; H471-Y495 AromaticContact CG-CZ 3.53Å; H471-Y495 AromaticContact ND1-CZ 3.85Å; C491-Y495 WeakPolarHBondContact CB-O 2.96Å; L492-Y495 HydrophobicContact CB-CD2 4.22Å; L492-Y495 PolarHBondContact O-N 3.06Å; Y495-K524 WeakPolarHBondContact CA-O 3.48Å; Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-A525 HydrophobicContact CE1-CB 4.48Å; Y495-L539 HydrophobicContact CD2-CD1 3.78Å; Y495-L539 HydrophobicContact CE1-CD1 4.21Å; Y495-L539 HydrophobicContact CE2-CD1 3.36Å; Y495-L539 HydrophobicContact CG-CD1 4.36Å; Y495-W543 VanDerWaalsContact CE1-O 3.27Å; Y495-W543 WeakPolarHBondContact CE1-O 3.42Å; Y495-W543 PolarHBondContact OH-O 2.87Å
496A86.4Confident82.1Confident40 Ų4054.1 Ų54.133%0.33134%0.342SS..EExtended strand (participates in β ladder)trans-130.5158.1173.600000111.5C523 K524 M526A496-C523 WeakPolarHBondContact O-CA 3.36Å; A496-K524 PolarHBondContact N-O 2.87Å; A496-K524 PolarHBondContact O-N 3.45Å; A496-M526 HydrophobicContact CB-CG 3.69Å
497L85.8Confident82Confident42 Ų4255 Ų5522%0.2235%0.345CS..EExtended strand (participates in β ladder)trans-74.5132.5178.6-67.1170.2000111.2F489 C491 N504 P521 A522F489-L497 HydrophobicContact CB-CD2 4.22Å; C491-L497 WeakPolarHBondContact SG-CD2 3.18Å; L497-N504 HydrophobicContact CD1-CB 4.32Å; L497-P521 HydrophobicContact CD2-CB 4.01Å; L497-P521 HydrophobicContact CD2-CG 3.83Å; L497-A522 CarbonylContact C-O 3.56Å; L497-A522 WeakPolarHBondContact CA-O 3.41Å
498E82.1Confident82.1Confident78 Ų7855.1 Ų55.136%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-117.5131.9169-170.4-179.5-14900109.4A522 K524E498-A522 PolarHBondContact N-O 2.87Å; E498-A522 PolarHBondContact O-N 2.96Å; E498-K524 WeakPolarHBondContact OE2-CD 3.35Å; E498-K524 WeakPolarHBondContact OE2-CE 3.48Å; E498-K524 IonicContact OE2-NZ 2.71Å; E498-K524 PolarHBondContact OE2-NZ 2.94Å
499P72.9Confident82.1Confident96 Ų9654.8 Ų54.862%0.62334%0.343SS*.SBendcis-68.8150.1-2.629.9-35.9000112.9G501P499-G501 VanDerWaalsContact C-N 3.34Å; P499-G501 PolarHBondContact O-N 2.86Å
500P62.4Low82Confident115 Ų11557.6 Ų57.675%0.74736%0.358SS*.SBendtrans-75.380.7-177.330.4-35.9000112.2
501G59.7Low81.8Confident40 Ų4060.4 Ų60.441%0.41238%0.376SS..SBendtrans178.5176.1175.500000112.8P499P499-G501 VanDerWaalsContact C-N 3.34Å; P499-G501 PolarHBondContact O-N 2.86Å
502P62.5Low81.7Confident118 Ų11864.9 Ų64.977%0.76640%0.402SS*.SBendtrans-70149.7164.831.4-33.6000110.4
503P62.6Low81.5Confident69 Ų6967.9 Ų67.945%0.44841%0.414SS..  cis-79.6123.910.729.8-33.6000114.3A505P503-A505 WeakPolarHBondContact CB-O 3.36Å; P503-A505 PolarHBondContact O-N 2.9Å
504N77.9Confident81.5Confident86 Ų8664.8 Ų64.846%0.4639%0.394SS..SBendtrans-86.815.516467.5-49.6000111.9F489 L497F489-N504 PolarHBondContact N-O 3.05Å; L497-N504 HydrophobicContact CD1-CB 4.32Å
505A87.3Confident81.6Confident18 Ų1867.5 Ų67.515%0.14940%0.399CS..EExtended strand (participates in β ladder)trans-157.5135.3-178.200000112.1L486 A487 T488 P503L486-A505 HydrophobicContact CD1-CB 3.89Å; L486-A505 HydrophobicContact CD2-CB 4.38Å; L486-A505 HydrophobicContact CG-CB 4.07Å; A487-A505 CarbonylContact O-C 3.54Å; A487-A505 WeakPolarHBondContact O-CA 3.36Å; T488-A505 HydrophobicContact CG2-CB 3.54Å; P503-A505 WeakPolarHBondContact CB-O 3.36Å; P503-A505 PolarHBondContact O-N 2.9Å
506I89.4Confident81.6Confident2 Ų266.2 Ų66.21%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-107.5151.4174.560.3-179.9000111.3P467 L486 A487 F489 W516 N517 D518 T519 E520P467-I506 HydrophobicContact CB-CD1 4.02Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; L486-I506 CarbonylContact C-O 3.54Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; A487-I506 HydrophobicContact CB-CG1 4.17Å; A487-I506 PolarHBondContact N-O 2.84Å; A487-I506 PolarHBondContact O-N 2.88Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.08Å; F489-I506 HydrophobicContact CE2-CG1 3.75Å; F489-I506 HydrophobicContact CE2-CG2 4.12Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.81Å; I506-W516 HydrophobicContact CB-CE3 3.98Å; I506-W516 HydrophobicContact CD1-CB 4.1Å; I506-W516 HydrophobicContact CD1-CD2 3.53Å; I506-W516 HydrophobicContact CD1-CE3 3.65Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.29Å; I506-W516 HydrophobicContact CG1-CD2 3.94Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-N517 WeakPolarHBondContact CA-OD1 3.27Å; I506-D518 HydrophobicContact CG2-CB 3.97Å; I506-T519 WeakPolarHBondContact CG2-O 3.31Å; I506-E520 HydrophobicContact CD1-CG 4.25Å
507E90.9Very high81.7Confident86 Ų8667.8 Ų67.840%0.40240%0.396SS..EExtended strand (participates in β ladder)trans-116.4133.2-179-171.3-179.4176.300110.2A485 L486 V509 N517A485-E507 WeakPolarHBondContact O-CA 3.38Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.2Å; E507-V509 PolarHBondContact O-N 3.25Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 2.68Å; E507-N517 PolarHBondContact O-OD1 3.11Å
508C92.8Very high81.7Confident1 Ų169 Ų691%0.00740%0.403CS..EExtended strand (participates in β ladder)trans-77.3108.7174.5-176.90000108.5C464 Y481 P483 G484 A485 W516C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.5Å; C464-C508 PolarHBondContact N-SG 2.89Å; C464-C508 WeakPolarHBondContact SG-CA 3.49Å; C464-C508 WeakPolarHBondContact SG-CB 3.44Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.85Å; Y481-C508 PolarHBondContact O-SG 2.89Å; Y481-C508 VanDerWaalsContact O-SG 3.33Å; P483-C508 CarbonylContact C-O 3.59Å; P483-C508 WeakPolarHBondContact CA-O 3.3Å; G484-C508 PolarHBondContact N-O 2.89Å; A485-C508 HydrophobicContact CB-CB 4.37Å; A485-C508 PolarHBondContact O-N 2.98Å; C508-W516 HydrophobicContact CB-CE3 4.04Å; C508-W516 HydrophobicContact CB-CH2 4.01Å; C508-W516 HydrophobicContact CB-CZ3 3.71Å
509V91.5Very high81.6Confident41 Ų4167.1 Ų67.125%0.24840%0.397CS..EExtended strand (participates in β ladder)trans-109.9164.2-173.7-66.80000112E507 P514 H515 N517E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.2Å; E507-V509 PolarHBondContact O-N 3.25Å; V509-P514 WeakPolarHBondContact O-CA 3.44Å; V509-H515 VanDerWaalsContact CG2-O 3.25Å; V509-H515 WeakPolarHBondContact CG2-O 3.43Å; V509-H515 PolarHBondContact N-O 3.13Å; V509-H515 PolarHBondContact O-N 2.88Å; V509-N517 HydrophobicContact CG1-CB 4.03Å; V509-N517 HydrophobicContact CG2-CB 3.94Å
510D86.8Confident82.1Confident68 Ų6863.9 Ų63.936%0.36437%0.373SS..  trans64.3116.4-174-156.6-64.1000115.2T512 E513 P514D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.98Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 3.03Å; D510-T512 PolarHBondContact OD1-OG1 3.49Å; D510-E513 PolarHBondContact OD1-N 2.9Å; D510-P514 WeakPolarHBondContact O-CA 3.16Å
511P86.4Confident83.1Confident110 Ų11059.1 Ų59.171%0.71434%0.343SS*.SBendtrans-84.94.717936.7-36.7000114P483P483-P511 HydrophobicContact CB-CB 4.4Å
512T86.2Confident84.3Confident126 Ų12659.3 Ų59.377%0.77334%0.34SS*.SBendtrans-116.9-29.3179.555.40000113.5D510D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.98Å; D510-T512 VanDerWaalsContact OD1-CA 3.32Å; D510-T512 WeakPolarHBondContact OD1-CA 3.34Å; D510-T512 WeakPolarHBondContact OD1-CB 3.38Å; D510-T512 PolarHBondContact OD1-N 3.03Å; D510-T512 PolarHBondContact OD1-OG1 3.49Å
513E85.6Confident85.4Confident130 Ų13054.2 Ų54.261%0.60731%0.307SS*.SBendtrans-139.481.3168.2-174.8157-137.900109.7D510 H515D510-E513 PolarHBondContact OD1-N 2.9Å; E513-H515 PolarHBondContact O-N 3.48Å; E513-H515 PolarHBondContact O-ND1 2.82Å
514P88.4Confident86.5Confident26 Ų2655.1 Ų55.117%0.16930%0.304CS..  trans-60.5123.3-170.2-2737.1000113.9P483 V509 D510P483-P514 HydrophobicContact CG-CB 4.14Å; P483-P514 HydrophobicContact CG-CG 3.9Å; V509-P514 WeakPolarHBondContact O-CA 3.44Å; D510-P514 WeakPolarHBondContact O-CA 3.16Å
515H87.9Confident87.1Confident88 Ų8851.2 Ų51.241%0.40728%0.284SS..EExtended strand (participates in β ladder)trans-146.8156.3178.860.4-82.9000112.3C464 V509 E513C464-H515 PolarHBondContact SG-N 3.19Å; V509-H515 VanDerWaalsContact CG2-O 3.25Å; V509-H515 WeakPolarHBondContact CG2-O 3.43Å; V509-H515 PolarHBondContact N-O 3.13Å; V509-H515 PolarHBondContact O-N 2.88Å; E513-H515 PolarHBondContact O-N 3.48Å; E513-H515 PolarHBondContact O-ND1 2.82Å
516W88.4Confident87Confident10 Ų1054.2 Ų54.24%0.03830%0.296CS..EExtended strand (participates in β ladder)trans-72.4135.3173.5-67.3117.5000111.3C464 F465 P467 Y481 A487 I506 C508C464-W516 HydrophobicContact CB-CD2 4Å; C464-W516 VanDerWaalsContact CB-CE2 3.44Å; C464-W516 HydrophobicContact CB-CG 4.43Å; C464-W516 HydrophobicContact CB-CH2 4.3Å; C464-W516 HydrophobicContact CB-CZ2 3.59Å; F465-W516 AromaticContact CD2-NE1 4Å; F465-W516 AromaticContact CE1-CD1 3.76Å; F465-W516 AromaticContact CE2-CD1 3.82Å; F465-W516 AromaticContact CE2-NE1 3.9Å; F465-W516 AromaticContact CZ-CD1 3.52Å; F465-W516 WeakPolarHBondContact O-CZ2 3.34Å; F465-W516 PolarHBondContact O-NE1 2.82Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CD1-CZ2 3.84Å; Y481-W516 HydrophobicContact CE1-CH2 4.46Å; Y481-W516 HydrophobicContact CE1-CZ2 4.49Å; Y481-W516 HydrophobicContact CG-CZ2 4.3Å; A487-W516 HydrophobicContact CB-CH2 3.98Å; A487-W516 HydrophobicContact CB-CZ3 4.25Å; I506-W516 HydrophobicContact CB-CE3 3.98Å; I506-W516 HydrophobicContact CD1-CB 4.1Å; I506-W516 HydrophobicContact CD1-CD2 3.53Å; I506-W516 HydrophobicContact CD1-CE3 3.65Å; I506-W516 HydrophobicContact CD1-CG 3.72Å; I506-W516 HydrophobicContact CD1-CZ3 4.29Å; I506-W516 HydrophobicContact CG1-CD2 3.94Å; I506-W516 HydrophobicContact CG1-CE3 3.47Å; I506-W516 VanDerWaalsContact CG1-CE3 3.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; C508-W516 HydrophobicContact CB-CE3 4.04Å; C508-W516 HydrophobicContact CB-CH2 4.01Å; C508-W516 HydrophobicContact CB-CZ3 3.71Å
517N89.1Confident87Confident74 Ų7456.9 Ų56.940%0.39631%0.314SS..SBendtrans-64.7-37.6179.664-13.7000112.9I506 E507 V509I506-N517 WeakPolarHBondContact CA-OD1 3.27Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 2.68Å; E507-N517 PolarHBondContact O-OD1 3.11Å; V509-N517 HydrophobicContact CG1-CB 4.03Å; V509-N517 HydrophobicContact CG2-CB 3.94Å
518D84.9Confident86.9Confident66 Ų6653.5 Ų53.535%0.35330%0.302SS..SBendtrans-133178.6179.3-140.5-17.8000112R428 I506R428-D518 IonicContact NH2-OD1 3.77Å; I506-D518 HydrophobicContact CG2-CB 3.97Å
519T80.5Confident86.8Confident40 Ų4055.1 Ų55.125%0.24532%0.319CS..PPolyproline II helixtrans-79.1157.1176.550.90000113.1R428 I506R428-T519 HydrophobicContact CG-CG2 3.58Å; I506-T519 WeakPolarHBondContact CG2-O 3.31Å
520E82.1Confident86.7Confident27 Ų2760.1 Ų60.113%0.12634%0.34CS..PPolyproline II helixtrans-64.2133.4162.2-61.197.3134.200111.3F465 P467 F489 I506F465-E520 WeakPolarHBondContact CE2-OE1 3.05Å; P467-E520 WeakPolarHBondContact CA-OE1 3.31Å; P467-E520 HydrophobicContact CB-CG 3.48Å; P467-E520 VanDerWaalsContact CB-CG 3.48Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.18Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 3.99Å; I506-E520 HydrophobicContact CD1-CG 4.25Å
521P85.1Confident86.9Confident15 Ų1559.2 Ų59.210%0.09734%0.335CS..PPolyproline II helixtrans-74.2153.8172.332.1-35.2000111.1L469 F489 L497L469-P521 WeakPolarHBondContact CD1-O 3.32Å; F489-P521 HydrophobicContact CB-CG 3.85Å; F489-P521 HydrophobicContact CD1-CG 4.25Å; F489-P521 VanDerWaalsContact CD2-CD 3.46Å; F489-P521 HydrophobicContact CD2-CG 3.64Å; F489-P521 HydrophobicContact CE2-CG 4.24Å; F489-P521 HydrophobicContact CG-CG 3.65Å; L497-P521 HydrophobicContact CD2-CB 4.01Å; L497-P521 HydrophobicContact CD2-CG 3.83Å
522A83.1Confident87.2Confident44 Ų4458.4 Ų58.436%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-93.7140.9175.600000111.4L497 E498L497-A522 CarbonylContact C-O 3.56Å; L497-A522 WeakPolarHBondContact CA-O 3.41Å; E498-A522 PolarHBondContact N-O 2.87Å; E498-A522 PolarHBondContact O-N 2.96Å
523C87.3Confident87.3Confident11 Ų1158.1 Ų58.17%0.07432%0.321CS..EExtended strand (participates in β ladder)trans-94.1116165.8-71.70000110.2L469 A470 H471 C491 A496L469-C523 HydrophobicContact CD1-CB 4.44Å; A470-C523 WeakPolarHBondContact O-CB 3.26Å; H471-C523 HydrophobicContact CB-CB 4.48Å; C491-C523 WeakPolarHBondContact CA-SG 3.46Å; C491-C523 HydrophobicContact CB-CB 3.91Å; C491-C523 WeakPolarHBondContact CB-SG 3.41Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.83Å; A496-C523 WeakPolarHBondContact O-CA 3.36Å
524K85.5Confident87.5Confident89 Ų8955 Ų5539%0.38731%0.313SS..EExtended strand (participates in β ladder)trans-121.8151.9176.7-67.6-170.1-170.4160.10112.6Y495 A496 E498 M526Y495-K524 WeakPolarHBondContact CA-O 3.48Å; A496-K524 PolarHBondContact N-O 2.87Å; A496-K524 PolarHBondContact O-N 3.45Å; E498-K524 WeakPolarHBondContact OE2-CD 3.35Å; E498-K524 WeakPolarHBondContact OE2-CE 3.48Å; E498-K524 IonicContact OE2-NZ 2.71Å; E498-K524 PolarHBondContact OE2-NZ 2.94Å; K524-M526 PolarHBondContact O-N 2.89Å
525A89.1Confident87.7Confident4 Ų456.6 Ų56.63%0.03333%0.328CS..  trans-76.4108.9169.900000109.5Y495 L539 S540 P541 D542 W543Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-A525 HydrophobicContact CE1-CB 4.48Å; A525-L539 HydrophobicContact CB-CB 3.88Å; A525-L539 HydrophobicContact CB-CD1 4.13Å; A525-S540 WeakPolarHBondContact CB-O 3.31Å; A525-P541 WeakPolarHBondContact O-CA 3.45Å; A525-D542 PolarHBondContact O-N 3.35Å; A525-W543 HydrophobicContact CB-CB 4.19Å
526M86.3Confident87.9Confident81 Ų8153.2 Ų53.240%0.39932%0.316SS..  trans-78.7142.1-171.2-62.7-64.9-8200112.9A496 K524 G528 W555A496-M526 HydrophobicContact CB-CG 3.69Å; K524-M526 PolarHBondContact O-N 2.89Å; M526-G528 PolarHBondContact O-N 3.31Å; M526-G528 VanDerWaalsContact O-N 3.08Å; M526-W555 WeakPolarHBondContact O-CZ2 3.2Å; M526-W555 PolarHBondContact O-NE1 3.21Å
527C89.7Confident88.1Confident57 Ų5753.8 Ų53.839%0.38532%0.321SS..SBendtrans-7494170.2178.60000110.5P541 Q551 C553C527-P541 HydrophobicContact CB-CB 4.45Å; C527-P541 HydrophobicContact CB-CG 4.05Å; C527-Q551 PolarHBondContact SG-OE1 3.24Å; C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.06Å; C527-C553 WeakPolarHBondContact CB-SG 3.35Å; C527-C553 WeakPolarHBondContact SG-CA 3.14Å; C527-C553 WeakPolarHBondContact SG-CB 3.42Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.99Å
528G88.9Confident88.3Confident15 Ų1550.4 Ų50.416%0.15530%0.303CS..SBendtrans85.7176.8179.900000115.2M526 V554 W555M526-G528 PolarHBondContact O-N 3.31Å; M526-G528 VanDerWaalsContact O-N 3.08Å; G528-V554 CarbonylContact C-O 3.56Å; G528-V554 WeakPolarHBondContact CA-O 3.1Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.28Å
529G89.4Confident88.7Confident35 Ų3547.7 Ų47.736%0.36129%0.289SS..EExtended strand (participates in β ladder)trans141.6170.7179.400000113.8V554 W555 G556G529-V554 PolarHBondContact N-O 2.85Å; G529-V554 VanDerWaalsContact N-O 3.09Å; G529-W555 CarbonylContact O-C 3.59Å; G529-W555 WeakPolarHBondContact O-CA 3.21Å; G529-G556 PolarHBondContact O-N 2.84Å
530E90.9Very high89.1Confident146 Ų14645.8 Ų45.868%0.68228%0.277SS*.EExtended strand (participates in β ladder)trans-101.4132.9176.7-67.5-56.2144.800111.2G556E530-G556 WeakPolarHBondContact OE2-CA 3.4Å
531L90.9Very high89.4Confident50 Ų5044.6 Ų44.626%0.26227%0.271SS..EExtended strand (participates in β ladder)trans-126.3110.8-173.6-60.9173.8000110.5V538 G556 V557 H558 F635L531-V538 HydrophobicContact CD1-CG2 3.54Å; L531-G556 PolarHBondContact N-O 3.33Å; L531-V557 HydrophobicContact CB-CG1 4.47Å; L531-V557 HydrophobicContact CB-CG2 4.41Å; L531-V557 HydrophobicContact CD1-CG2 4.31Å; L531-V557 WeakPolarHBondContact O-CA 3.38Å; L531-H558 PolarHBondContact O-N 3.45Å; L531-F635 HydrophobicContact CB-CZ 4.09Å; L531-F635 HydrophobicContact CD1-CE1 4.04Å; L531-F635 HydrophobicContact CD1-CZ 4.42Å
532S91.4Very high89.2Confident92 Ų9246.4 Ų46.464%0.64328%0.28SS*.  trans-11211.2-174.747.20000114.6H558S532-H558 WeakPolarHBondContact CA-O 3.49Å
533E89.5Confident89.2Confident121 Ų12146 Ų4657%0.56527%0.269SS*.SBendtrans-78.4149-179.6-67.2-61.5153.200112.2A535 F635E533-A535 PolarHBondContact O-N 2.87Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å
534P89.7Confident88.5Confident65 Ų6547.3 Ų47.342%0.42228%0.278SS..SBendtrans-68.1-18.6178.529.1-35.6000113K636 E637P534-K636 CarbonylContact O-C 3.45Å; P534-K636 WeakPolarHBondContact O-CA 3.4Å; P534-E637 HydrophobicContact CB-CG 4.07Å; P534-E637 PolarHBondContact O-N 2.95Å
535A92.8Very high88Confident59 Ų5946.5 Ų46.549%0.48828%0.275SS..EExtended strand (participates in β ladder)trans-155.3149.2168.500000110.5E533 F635 K636E533-A535 PolarHBondContact O-N 2.87Å; A535-F635 VanDerWaalsContact CA-O 3.3Å; A535-F635 WeakPolarHBondContact CA-O 3.5Å; A535-K636 HydrophobicContact CB-CB 3.74Å
536G91.6Very high87.2Confident16 Ų1648 Ų4817%0.16529%0.285CS..EExtended strand (participates in β ladder)trans-169.7-169.3-178.600000113.8F635G536-F635 VanDerWaalsContact C-CD1 3.47Å; G536-F635 VanDerWaalsContact CA-CE1 3.41Å; G536-F635 PolarHBondContact N-O 3.14Å; G536-F635 WeakPolarHBondContact O-CD1 3.29Å; G536-F635 PolarHBondContact O-N 2.89Å
537V93.4Very high87Confident23 Ų2344.2 Ų44.214%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-131.9135.9-178.1-164.90000108.8P493 G494 L539 V632 L633P493-V537 HydrophobicContact CB-CG2 4.11Å; G494-V537 VanDerWaalsContact CA-O 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.26Å; V537-L539 HydrophobicContact CG1-CD2 3.71Å; V537-L539 HydrophobicContact CG1-CG 4.26Å; V537-V632 HydrophobicContact CG1-CG1 3.96Å; V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.37Å
538V93.3Very high86.5Confident3 Ų344.4 Ų44.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-115127.2169.3-170.50000108.2L531 W555 L614 F631 L633 F635L531-V538 HydrophobicContact CD1-CG2 3.54Å; V538-W555 HydrophobicContact CG1-CB 4.46Å; V538-W555 HydrophobicContact CG1-CD2 3.68Å; V538-W555 HydrophobicContact CG1-CE3 4.25Å; V538-W555 HydrophobicContact CG1-CG 3.79Å; V538-W555 HydrophobicContact CG1-CZ2 4.34Å; V538-L614 HydrophobicContact CB-CD1 3.97Å; V538-L614 HydrophobicContact CG1-CD1 3.9Å; V538-L614 HydrophobicContact CG2-CD1 3.66Å; V538-F631 HydrophobicContact CG1-CE2 4.45Å; V538-L633 HydrophobicContact CB-CB 4.35Å; V538-L633 HydrophobicContact CB-CD1 4.46Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.38Å; V538-F635 HydrophobicContact CG2-CD1 4.05Å; V538-F635 HydrophobicContact CG2-CE1 4.1Å
539L91.4Very high86.1Confident9 Ų945.8 Ų45.85%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-112.5155.2-175.1-58.1176.2000109.2Y495 A525 V537 W543 W555 F631 V632Y495-L539 HydrophobicContact CD2-CD1 3.78Å; Y495-L539 HydrophobicContact CE1-CD1 4.21Å; Y495-L539 HydrophobicContact CE2-CD1 3.36Å; Y495-L539 HydrophobicContact CG-CD1 4.36Å; A525-L539 HydrophobicContact CB-CB 3.88Å; A525-L539 HydrophobicContact CB-CD1 4.13Å; V537-L539 HydrophobicContact CG1-CD2 3.71Å; V537-L539 HydrophobicContact CG1-CG 4.26Å; L539-W543 HydrophobicContact CB-CB 4.06Å; L539-W543 HydrophobicContact CB-CG 4.35Å; L539-W543 HydrophobicContact CD2-CG 4.36Å; L539-W555 WeakPolarHBondContact O-CZ2 3.4Å; L539-F631 VanDerWaalsContact C-CE2 3.46Å; L539-F631 WeakPolarHBondContact CA-O 3.3Å; L539-V632 HydrophobicContact CD2-CB 4.33Å; L539-V632 HydrophobicContact CD2-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CG2 3.94Å
540S89.9Confident85.8Confident0 Ų046.3 Ų46.30%028%0.28CS..  trans-64.2153.4163.751.90000110.6A525 W543 G630 F631A525-S540 WeakPolarHBondContact CB-O 3.31Å; S540-W543 VanDerWaalsContact O-CB 3.22Å; S540-W543 WeakPolarHBondContact O-CB 3.06Å; S540-W543 PolarHBondContact O-N 2.95Å; S540-G630 WeakPolarHBondContact OG-CA 3.46Å; S540-F631 PolarHBondContact N-O 3.29Å; S540-F631 VanDerWaalsContact N-O 3.08Å; S540-F631 PolarHBondContact OG-N 2.84Å; S540-F631 VanDerWaalsContact OG-N 3.17Å
541P88.4Confident85.5Confident2 Ų241.8 Ų41.81%0.01326%0.259CS..THydrogen-bonded Turntrans-50.4143.3173.6-25.834.5000111.7A525 C527 W543 C553A525-P541 WeakPolarHBondContact O-CA 3.45Å; C527-P541 HydrophobicContact CB-CB 4.45Å; C527-P541 HydrophobicContact CB-CG 4.05Å; P541-W543 PolarHBondContact O-N 2.95Å; P541-C553 WeakPolarHBondContact CG-SG 3.48Å
542D81.7Confident85.5Confident53 Ų5343.9 Ų43.928%0.28327%0.27SS..THydrogen-bonded Turntrans61.82.5177.5-47.8-57.7000116A525 Q545A525-D542 PolarHBondContact O-N 3.35Å; D542-Q545 HydrophobicContact CB-CB 4.12Å; D542-Q545 WeakPolarHBondContact O-CA 3.23Å; D542-Q545 WeakPolarHBondContact O-CB 3.34Å; D542-Q545 VanDerWaalsContact O-CG 3.24Å; D542-Q545 WeakPolarHBondContact O-CG 3.37Å; D542-Q545 PolarHBondContact O-N 2.81Å
543W83.1Confident85.6Confident35 Ų3539.5 Ų39.513%0.13324%0.24CC..THydrogen-bonded Turntrans-50.9134.6179.6-178.5-89.6000111.9Y495 A525 L539 S540 P541 I571 V632Y495-W543 VanDerWaalsContact CE1-O 3.27Å; Y495-W543 WeakPolarHBondContact CE1-O 3.42Å; Y495-W543 PolarHBondContact OH-O 2.87Å; A525-W543 HydrophobicContact CB-CB 4.19Å; L539-W543 HydrophobicContact CB-CB 4.06Å; L539-W543 HydrophobicContact CB-CG 4.35Å; L539-W543 HydrophobicContact CD2-CG 4.36Å; S540-W543 VanDerWaalsContact O-CB 3.22Å; S540-W543 WeakPolarHBondContact O-CB 3.06Å; S540-W543 PolarHBondContact O-N 2.95Å; P541-W543 PolarHBondContact O-N 2.95Å; W543-I571 HydrophobicContact CH2-CD1 4.04Å; W543-I571 HydrophobicContact CH2-CG2 4.14Å; W543-I571 HydrophobicContact CZ2-CD1 3.96Å; W543-V632 HydrophobicContact CD2-CG2 4.17Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CH2-CG2 4.09Å; W543-V632 HydrophobicContact CZ2-CG2 3.45Å; W543-V632 VanDerWaalsContact CZ2-CG2 3.45Å
544P72.4Confident85.8Confident38 Ų3836.4 Ų36.425%0.24723%0.229CC..THydrogen-bonded Turncis-82.95.51234.5-38.1000116.2H471 G628H471-P544 VanDerWaalsContact NE2-CD 3.32Å; H471-P544 WeakPolarHBondContact NE2-CD 3.48Å; P544-G628 PolarHBondContact O-N 2.93Å
545Q74.2Confident86Confident72 Ų7233.9 Ų33.934%0.33621%0.211SC..SBendtrans-69.3168.1171.8-46.6-69.644.700111.2D542D542-Q545 HydrophobicContact CB-CB 4.12Å; D542-Q545 WeakPolarHBondContact O-CA 3.23Å; D542-Q545 WeakPolarHBondContact O-CB 3.34Å; D542-Q545 VanDerWaalsContact O-CG 3.24Å; D542-Q545 WeakPolarHBondContact O-CG 3.37Å; D542-Q545 PolarHBondContact O-N 2.81Å
546S72.9Confident86.1Confident35 Ų3531.2 Ų31.225%0.24519%0.19CC..PPolyproline II helixtrans-71.1129163.843.10000110.3N624S546-N624 WeakPolarHBondContact CB-O 3.42Å; S546-N624 PolarHBondContact OG-O 3.39Å
547Y82.4Confident86.2Confident3 Ų330.6 Ų30.61%0.01218%0.183CC..PPolyproline II helixtrans-58.1143.7170.546.7-84.7000111V574 R575 D578 F616 A618 Q629Y547-V574 WeakPolarHBondContact OH-CA 3.45Å; Y547-R575 PolarHBondContact OH-N 2.92Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.36Å; Y547-D578 PolarHBondContact OH-OD2 2.88Å; Y547-F616 HydrophobicContact CD1-CE1 4.46Å; Y547-F616 HydrophobicContact CD1-CZ 4.38Å; Y547-F616 AromaticContact CD2-CE1 3.81Å; Y547-F616 HydrophobicContact CD2-CE1 3.81Å; Y547-F616 AromaticContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CE1-CZ 4.28Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.69Å; Y547-F616 HydrophobicContact CE2-CZ 3.69Å; Y547-F616 AromaticContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.97Å; Y547-A618 HydrophobicContact CD2-CB 4.19Å; Y547-A618 HydrophobicContact CE2-CB 4.18Å; Y547-Q629 VanDerWaalsContact CE1-O 3.26Å; Y547-Q629 WeakPolarHBondContact CE1-O 3.32Å
548S79.1Confident86.3Confident60 Ų6033.1 Ų33.142%0.4219%0.193SC..PPolyproline II helixtrans-60.6149.4172.9-67.90000112.3Q551S548-Q551 WeakPolarHBondContact O-CG 3.39Å
549P79.3Confident86.2Confident45 Ų4533.2 Ų33.229%0.29219%0.193SC..THydrogen-bonded Turntrans-72149.9173.830.9-34.6000111.6G621P549-G621 WeakPolarHBondContact CB-O 3.48Å; P549-G621 VanDerWaalsContact CG-O 3.32Å; P549-G621 WeakPolarHBondContact CG-O 3.49Å
550G82.9Confident86.1Confident46 Ų4637.5 Ų37.547%0.47421%0.213SC..THydrogen-bonded Turntrans87.113.8178.400000115.6A618 P619G550-A618 CarbonylContact C-O 3.49Å; G550-A618 WeakPolarHBondContact CA-O 3.42Å; G550-A618 PolarHBondContact N-O 3.35Å; G550-P619 PolarHBondContact N-O 3.45Å
551Q86Confident85.8Confident51 Ų5143.6 Ų43.624%0.23824%0.242CC..  trans-78139.8179.8-65.9-75.215.200112.4C527 S548 A618C527-Q551 PolarHBondContact SG-OE1 3.24Å; S548-Q551 WeakPolarHBondContact O-CG 3.39Å; Q551-A618 HydrophobicContact CB-CB 4.46Å; Q551-A618 PolarHBondContact N-O 2.83Å; Q551-A618 PolarHBondContact O-N 2.86Å
552D90.8Very high85.3Confident93 Ų9350 Ų5050%0.49727%0.271SS..EExtended strand (participates in β ladder)trans-132.896.3165.9-171.48.9000108.5Q615 F616 Q617D552-Q615 PolarHBondContact OD1-NE2 2.89Å; D552-Q615 PolarHBondContact OD2-NE2 3.07Å; D552-F616 CarbonylContact C-O 3.55Å; D552-F616 WeakPolarHBondContact CA-O 3.42Å; D552-Q617 HydrophobicContact CB-CG 4.5Å; D552-Q617 VanDerWaalsContact OD1-CG 3.26Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.45Å
553C92.5Very high85.4Confident1 Ų150.2 Ų50.21%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-110.2131.3-171-530000110.4C527 P541 W555 Q615 F616C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.06Å; C527-C553 WeakPolarHBondContact CB-SG 3.35Å; C527-C553 WeakPolarHBondContact SG-CA 3.14Å; C527-C553 WeakPolarHBondContact SG-CB 3.42Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.99Å; P541-C553 WeakPolarHBondContact CG-SG 3.48Å; C553-W555 HydrophobicContact CB-CE3 4.3Å; C553-W555 HydrophobicContact CB-CH2 3.32Å; C553-W555 HydrophobicContact CB-CZ2 3.92Å; C553-W555 HydrophobicContact CB-CZ3 3.54Å; C553-Q615 CarbonylContact O-C 3.56Å; C553-Q615 VanDerWaalsContact O-CA 3.31Å; C553-Q615 WeakPolarHBondContact O-CA 3.41Å; C553-F616 PolarHBondContact N-O 2.04Å; C553-F616 PolarHBondContact O-N 2.83Å
554V94.2Very high85.6Confident55 Ų5549.6 Ų49.633%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-121.7123.6178.5-177.70000110.1G528 G529 T613 L614 Q615G528-V554 CarbonylContact C-O 3.56Å; G528-V554 WeakPolarHBondContact CA-O 3.1Å; G529-V554 PolarHBondContact N-O 2.85Å; G529-V554 VanDerWaalsContact N-O 3.09Å; V554-T613 HydrophobicContact CG1-CG2 3.77Å; V554-L614 CarbonylContact C-O 3.46Å; V554-L614 WeakPolarHBondContact CA-O 3.49Å; V554-Q615 HydrophobicContact CG2-CB 4.33Å; V554-Q615 HydrophobicContact CG2-CG 3.93Å
555W94.7Very high86.5Confident12 Ų1247.8 Ų47.85%0.04526%0.256CS..EExtended strand (participates in β ladder)trans-112.7124.6171.3-57.4-98.2000110.1M526 G528 G529 V538 L539 C553 L614 F616 F631M526-W555 WeakPolarHBondContact O-CZ2 3.2Å; M526-W555 PolarHBondContact O-NE1 3.21Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.28Å; G529-W555 CarbonylContact O-C 3.59Å; G529-W555 WeakPolarHBondContact O-CA 3.21Å; V538-W555 HydrophobicContact CG1-CB 4.46Å; V538-W555 HydrophobicContact CG1-CD2 3.68Å; V538-W555 HydrophobicContact CG1-CE3 4.25Å; V538-W555 HydrophobicContact CG1-CG 3.79Å; V538-W555 HydrophobicContact CG1-CZ2 4.34Å; L539-W555 WeakPolarHBondContact O-CZ2 3.4Å; C553-W555 HydrophobicContact CB-CE3 4.3Å; C553-W555 HydrophobicContact CB-CH2 3.32Å; C553-W555 HydrophobicContact CB-CZ2 3.92Å; C553-W555 HydrophobicContact CB-CZ3 3.54Å; W555-L614 HydrophobicContact CB-CB 4.29Å; W555-L614 HydrophobicContact CB-CD1 4.22Å; W555-L614 HydrophobicContact CB-CG 4.47Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 2.76Å; W555-L614 PolarHBondContact O-N 2.9Å; W555-F616 HydrophobicContact CH2-CB 4.14Å; W555-F616 HydrophobicContact CZ3-CB 3.75Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.73Å; W555-F631 HydrophobicContact CH2-CZ 3.73Å; W555-F631 AromaticContact CZ3-CZ 3.97Å; W555-F631 HydrophobicContact CZ3-CZ 3.97Å
556G94.1Very high87.4Confident4 Ų446.2 Ų46.24%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-86.1136.8164.500000110G529 E530 L531G529-G556 PolarHBondContact O-N 2.84Å; E530-G556 WeakPolarHBondContact OE2-CA 3.4Å; L531-G556 PolarHBondContact N-O 3.33Å
557V94.5Very high88.4Confident3 Ų344.7 Ų44.72%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-126.7122173.6-168.70000108.4L531 I565 D611 L612 L614 F635L531-V557 HydrophobicContact CB-CG1 4.47Å; L531-V557 HydrophobicContact CB-CG2 4.41Å; L531-V557 HydrophobicContact CD1-CG2 4.31Å; L531-V557 WeakPolarHBondContact O-CA 3.38Å; V557-I565 HydrophobicContact CB-CD1 4.01Å; V557-I565 HydrophobicContact CG1-CD1 3.71Å; V557-I565 WeakPolarHBondContact O-CD1 3.4Å; V557-D611 CarbonylContact O-C 3.58Å; V557-D611 WeakPolarHBondContact O-CA 3.46Å; V557-L612 HydrophobicContact CB-CB 4.4Å; V557-L612 WeakPolarHBondContact CB-O 3.17Å; V557-L612 PolarHBondContact N-O 2.72Å; V557-L612 PolarHBondContact O-N 2.95Å; V557-L614 HydrophobicContact CG2-CD1 4.01Å; V557-L614 HydrophobicContact CG2-CG 4.27Å; V557-F635 HydrophobicContact CG1-CD1 4.43Å; V557-F635 HydrophobicContact CG1-CD2 3.53Å; V557-F635 HydrophobicContact CG1-CE1 4.38Å; V557-F635 HydrophobicContact CG1-CE2 3.46Å; V557-F635 VanDerWaalsContact CG1-CE2 3.46Å; V557-F635 HydrophobicContact CG1-CG 4.03Å; V557-F635 HydrophobicContact CG1-CZ 3.92Å
558H94.1Very high88.8Confident75 Ų7546.9 Ų46.935%0.34725%0.249SC..EExtended strand (participates in β ladder)trans-128.1129-177.7174.280.5000109.5L531 S532 D611L531-H558 PolarHBondContact O-N 3.45Å; S532-H558 WeakPolarHBondContact CA-O 3.49Å; H558-D611 IonicContact CE1-OD1 2.72Å; H558-D611 IonicContact CG-OD1 3.72Å; H558-D611 IonicContact ND1-OD1 2.75Å; H558-D611 PolarHBondContact ND1-OD1 3.36Å
559V92.7Very high89.3Confident5 Ų544.2 Ų44.23%0.0323%0.23CC..  trans-119.2179.8172-60.90000110.5E561 K563 I565 P610 E637V559-E561 PolarHBondContact O-N 2.99Å; V559-K563 HydrophobicContact CG2-CB 3.9Å; V559-I565 HydrophobicContact CB-CG1 4.37Å; V559-I565 HydrophobicContact CG1-CD1 4.19Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.25Å; V559-I565 HydrophobicContact CG2-CG1 3.61Å; V559-P610 HydrophobicContact CG2-CB 4.31Å; V559-P610 WeakPolarHBondContact CG2-O 3.49Å; V559-P610 PolarHBondContact N-O 3.25Å; V559-P610 WeakPolarHBondContact O-CB 3.16Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.33Å
560Q88.9Confident89.6Confident100 Ų10044.9 Ų44.947%0.46723%0.229SC..  trans-52136.1177.7-62.7166.551.300112.1E562 K563 E637Q560-E562 PolarHBondContact O-N 3.19Å; Q560-K563 HydrophobicContact CB-CG 3.77Å; Q560-K563 VanDerWaalsContact O-CB 3.3Å; Q560-K563 WeakPolarHBondContact O-CB 3.36Å; Q560-K563 WeakPolarHBondContact O-CG 3.21Å; Q560-K563 PolarHBondContact O-N 3.35Å; Q560-E637 PolarHBondContact NE2-OE1 3.31Å; Q560-E637 PolarHBondContact NE2-OE2 3.43Å
561E83.7Confident89.6Confident127 Ų12745.8 Ų45.859%0.59322%0.222SC*.THydrogen-bonded Turntrans-46.5-38.8-174.4-67.2-78.7-178.200114.8V559 K563V559-E561 PolarHBondContact O-N 2.99Å; E561-K563 VanDerWaalsContact C-N 3.28Å; E561-K563 PolarHBondContact O-N 3.43Å
562E76.4Confident89.6Confident137 Ų13743.8 Ų43.864%0.6421%0.213SC*.THydrogen-bonded Turntrans-82.85.1-179-59.478.4-17000114.5Q560Q560-E562 PolarHBondContact O-N 3.19Å
563K83.8Confident89.1Confident57 Ų5742.2 Ų42.225%0.24821%0.205CC..EExtended strand (participates in β ladder)trans-107.1178.6-176.9-51.5-61.3-175.6-164.70112.4V559 Q560 E561 E637V559-K563 HydrophobicContact CG2-CB 3.9Å; Q560-K563 HydrophobicContact CB-CG 3.77Å; Q560-K563 VanDerWaalsContact O-CB 3.3Å; Q560-K563 WeakPolarHBondContact O-CB 3.36Å; Q560-K563 WeakPolarHBondContact O-CG 3.21Å; Q560-K563 PolarHBondContact O-N 3.35Å; E561-K563 VanDerWaalsContact C-N 3.28Å; E561-K563 PolarHBondContact O-N 3.43Å; K563-E637 HydrophobicContact CB-CB 4.22Å; K563-E637 HydrophobicContact CG-CB 4.28Å
564R88.2Confident88.5Confident23 Ų2342.4 Ų42.49%0.08721%0.206CC..EExtended strand (participates in β ladder)trans-128.7158.8164.8-77.1173.2174148.212108.7L606 S607 S608 E637 V638 R640 N641 D642R564-L606 HydrophobicContact CB-CD1 4.2Å; R564-S607 WeakPolarHBondContact CD-O 3.15Å; R564-S607 WeakPolarHBondContact CG-O 3.41Å; R564-S608 PolarHBondContact NE-O 2.94Å; R564-S608 PolarHBondContact NH2-O 2.84Å; R564-S608 VanDerWaalsContact NH2-O 3.15Å; R564-E637 CarbonylContact O-C 3.58Å; R564-E637 WeakPolarHBondContact O-CA 3.25Å; R564-V638 HydrophobicContact CB-CG2 4.13Å; R564-V638 PolarHBondContact N-O 2.81Å; R564-V638 VanDerWaalsContact O-CG2 3.31Å; R564-V638 WeakPolarHBondContact O-CG2 3.47Å; R564-V638 PolarHBondContact O-N 2.99Å; R564-R640 HydrophobicContact CG-CG 4.16Å; R564-R640 VanDerWaalsContact CZ-CG 3.41Å; R564-N641 VanDerWaalsContact NH1-N 3.17Å; R564-N641 PolarHBondContact NH1-O 3.3Å; R564-D642 IonicContact CZ-OD1 2.99Å; R564-D642 VanDerWaalsContact CZ-OD1 3.26Å; R564-D642 IonicContact CZ-OD2 3.24Å; R564-D642 IonicContact NH1-OD1 2.78Å; R564-D642 PolarHBondContact NH1-OD1 3.48Å; R564-D642 VanDerWaalsContact NH2-CG 3.34Å; R564-D642 IonicContact NH2-OD1 3.27Å; R564-D642 PolarHBondContact NH2-OD1 3.04Å; R564-D642 IonicContact NH2-OD2 3.78Å; R564-D642 PolarHBondContact NH2-OD2 2.95Å
565I92.3Very high87.6Confident0 Ų042.4 Ų42.40%020%0.2CC..EExtended strand (participates in β ladder)trans-96.8124175.2-60.6170.7000109V557 V559 L606 S607 P610 L612 F635V557-I565 HydrophobicContact CB-CD1 4.01Å; V557-I565 HydrophobicContact CG1-CD1 3.71Å; V557-I565 WeakPolarHBondContact O-CD1 3.4Å; V559-I565 HydrophobicContact CB-CG1 4.37Å; V559-I565 HydrophobicContact CG1-CD1 4.19Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.25Å; V559-I565 HydrophobicContact CG2-CG1 3.61Å; I565-L606 WeakPolarHBondContact O-CA 3.34Å; I565-S607 PolarHBondContact N-OG 3.5Å; I565-S607 PolarHBondContact O-N 3.03Å; I565-P610 WeakPolarHBondContact CD1-O 3.47Å; I565-L612 HydrophobicContact CB-CB 4.39Å; I565-L612 HydrophobicContact CB-CD2 4.23Å; I565-L612 HydrophobicContact CD1-CB 3.55Å; I565-L612 HydrophobicContact CG2-CD2 3.68Å; I565-F635 HydrophobicContact CG2-CB 3.92Å
566L91.9Very high86.5Confident39 Ų3951.6 Ų51.620%0.20424%0.244CC..EExtended strand (participates in β ladder)trans-94.4110.1165.3-176.178.3000108.9R604 L606 F635 K636 V638L566-R604 HydrophobicContact CD1-CB 4.37Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.07Å; L566-F635 WeakPolarHBondContact O-CA 3.31Å; L566-K636 HydrophobicContact CB-CG 4.33Å; L566-K636 PolarHBondContact N-O 2.84Å; L566-K636 PolarHBondContact O-N 2.75Å; L566-K636 VanDerWaalsContact O-N 3.1Å; L566-V638 HydrophobicContact CB-CG1 3.77Å; L566-V638 HydrophobicContact CB-CG2 3.96Å; L566-V638 HydrophobicContact CD2-CG1 4.31Å
567L93.2Very high85.6Confident3 Ų354 Ų542%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-93.4130.5173-167.274.4000109.8L582 R604 L605 L612 L614 L633 H634 F635L567-L582 HydrophobicContact CD2-CD1 3.76Å; L567-L582 HydrophobicContact CD2-CD2 3.87Å; L567-L582 HydrophobicContact CD2-CG 4.46Å; L567-R604 CarbonylContact O-C 3.42Å; L567-R604 WeakPolarHBondContact O-CA 3.48Å; L567-L605 HydrophobicContact CB-CB 4.43Å; L567-L605 PolarHBondContact N-O 2.78Å; L567-L605 PolarHBondContact O-N 2.83Å; L567-L612 HydrophobicContact CB-CD2 4.16Å; L567-L612 HydrophobicContact CD1-CD2 4.24Å; L567-L612 HydrophobicContact CD2-CD2 4.35Å; L567-L612 HydrophobicContact CG-CD2 4.49Å; L567-L614 HydrophobicContact CD2-CD2 4.16Å; L567-L633 HydrophobicContact CD1-CB 4.04Å; L567-H634 CarbonylContact C-O 3.59Å; L567-F635 HydrophobicContact CD1-CB 3.85Å
568Q91.3Very high85.1Confident49 Ų4954 Ų5423%0.22927%0.269CS..EExtended strand (participates in β ladder)trans-118.6117.6173-176.4177.1-80.500109.9E570 R604 H634Q568-E570 PolarHBondContact O-N 3.39Å; Q568-R604 HydrophobicContact CB-CG 4.24Å; Q568-R604 HydrophobicContact CG-CG 4.09Å; Q568-R604 VanDerWaalsContact OE1-CZ 3.31Å; Q568-H634 PolarHBondContact N-O 2.79Å; Q568-H634 PolarHBondContact O-N 3.45Å
569V89.9Confident84.9Confident4 Ų452 Ų522%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-75.4112.5169.5-172.70000108.1L572 L596 R602 R603 L633V569-L572 HydrophobicContact CG1-CB 3.82Å; V569-L596 HydrophobicContact CG2-CD1 3.9Å; V569-R602 WeakPolarHBondContact O-CA 3.44Å; V569-R603 PolarHBondContact N-O 2.75Å; V569-R603 PolarHBondContact O-N 3.11Å; V569-L633 HydrophobicContact CB-CD2 4.28Å; V569-L633 HydrophobicContact CG1-CD2 4.14Å; V569-L633 HydrophobicContact CG2-CD2 3.94Å
570E85.8Confident84.8Confident58 Ų5851.7 Ų51.727%0.27126%0.258SS..EExtended strand (participates in β ladder)trans-90.4-48.1176.1175.998-161.300110.3Q568 R602 V632Q568-E570 PolarHBondContact O-N 3.39Å; E570-R602 VanDerWaalsContact CD-CZ 3.46Å; E570-R602 VanDerWaalsContact CD-NH2 3.34Å; E570-R602 WeakPolarHBondContact O-CG 3.45Å; E570-R602 PolarHBondContact O-NE 3.34Å; E570-R602 IonicContact OE1-CZ 2.63Å; E570-R602 IonicContact OE1-NH1 3.38Å; E570-R602 PolarHBondContact OE1-NH1 3.45Å; E570-R602 IonicContact OE1-NH2 3.78Å; E570-R602 PolarHBondContact OE1-NH2 3.12Å; E570-R602 IonicContact OE2-CZ 3.22Å; E570-R602 IonicContact OE2-NH1 3.17Å; E570-R602 PolarHBondContact OE2-NH1 3.43Å; E570-V632 HydrophobicContact CB-CB 4.35Å; E570-V632 HydrophobicContact CB-CG1 4.27Å; E570-V632 PolarHBondContact N-O 2.8Å
571I83.1Confident85Confident65 Ų6547.2 Ų47.233%0.33324%0.237SC..EExtended strand (participates in β ladder)trans-132.9134.7176.3-56.7178.5000108.1W543 N573 F631 V632W543-I571 HydrophobicContact CH2-CD1 4.04Å; W543-I571 HydrophobicContact CH2-CG2 4.14Å; W543-I571 HydrophobicContact CZ2-CD1 3.96Å; I571-N573 HydrophobicContact CG2-CB 4.39Å; I571-F631 VanDerWaalsContact O-CA 3.3Å; I571-F631 WeakPolarHBondContact O-CA 3.46Å; I571-F631 WeakPolarHBondContact O-CB 3.46Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.16Å; I571-V632 HydrophobicContact CD1-CG2 4.09Å; I571-V632 HydrophobicContact CG1-CB 4.39Å; I571-V632 HydrophobicContact CG1-CG2 4.38Å; I571-V632 PolarHBondContact N-O 3.41Å; I571-V632 PolarHBondContact O-N 2.88Å
572L84.6Confident85.5Confident9 Ų941.2 Ų41.25%0.04721%0.209CC..EExtended strand (participates in β ladder)trans-140.6114.5164.8-175.888.1000107V569 V574 L580 L596 G598 P599 Q600 F631V569-L572 HydrophobicContact CG1-CB 3.82Å; L572-V574 HydrophobicContact CD1-CG1 4.23Å; L572-V574 HydrophobicContact CD1-CG2 4.5Å; L572-V574 HydrophobicContact CG-CG2 4.46Å; L572-L580 HydrophobicContact CD1-CD2 3.87Å; L572-L596 HydrophobicContact CD1-CB 4.22Å; L572-L596 HydrophobicContact CD2-CB 3.8Å; L572-G598 WeakPolarHBondContact CD2-O 3.29Å; L572-P599 WeakPolarHBondContact O-CA 3.37Å; L572-Q600 HydrophobicContact CD2-CB 3.67Å; L572-Q600 HydrophobicContact CD2-CG 3.47Å; L572-Q600 VanDerWaalsContact CD2-CG 3.47Å; L572-F631 HydrophobicContact CD1-CB 4.01Å
573N80.8Confident86.3Confident61 Ų6135.5 Ų35.533%0.32618%0.182SC..EExtended strand (participates in β ladder)trans-144.260.5-175.5-170.227000109I571 G628 Q629 G630I571-N573 HydrophobicContact CG2-CB 4.39Å; N573-G628 PolarHBondContact ND2-O 3.41Å; N573-Q629 CarbonylContact O-C 3.55Å; N573-Q629 WeakPolarHBondContact O-CA 3.47Å; N573-G630 CarbonylContact C-O 3.46Å; N573-G630 PolarHBondContact N-O 2.9Å; N573-G630 PolarHBondContact O-N 2.92Å
574V79.8Confident86.7Confident5 Ų533.7 Ų33.73%0.0318%0.176CC..  trans-98.9156-177.6-57.90000111Y547 L572 D578 G598 F616 F631Y547-V574 WeakPolarHBondContact OH-CA 3.45Å; L572-V574 HydrophobicContact CD1-CG1 4.23Å; L572-V574 HydrophobicContact CD1-CG2 4.5Å; L572-V574 HydrophobicContact CG-CG2 4.46Å; V574-D578 HydrophobicContact CB-CB 4.04Å; V574-D578 HydrophobicContact CG2-CB 4.34Å; V574-G598 WeakPolarHBondContact O-CA 3.04Å; V574-F616 HydrophobicContact CB-CE2 4.38Å; V574-F616 HydrophobicContact CG1-CE2 3.9Å; V574-F616 HydrophobicContact CG1-CZ 4.45Å; V574-F631 HydrophobicContact CG1-CD1 4.04Å
575R76.1Confident86.8Confident55 Ų5533.2 Ų33.221%0.20818%0.178CC..  trans-67.1163.1-172.6-53.2163.987.8160.512.2112Y547 G577 D578 P622 N624Y547-R575 PolarHBondContact OH-N 2.92Å; R575-G577 PolarHBondContact O-N 3.34Å; R575-D578 WeakPolarHBondContact CB-OD2 3.35Å; R575-D578 WeakPolarHBondContact CD-OD2 3.31Å; R575-D578 WeakPolarHBondContact CG-OD2 3.13Å; R575-D578 PolarHBondContact N-OD2 3.13Å; R575-D578 PolarHBondContact O-N 3.11Å; R575-P622 PolarHBondContact NH1-O 3.24Å; R575-P622 PolarHBondContact NH2-O 2.97Å; R575-N624 WeakPolarHBondContact CG-ND2 3.36Å; R575-N624 PolarHBondContact NE-OD1 3.27Å; R575-N624 PolarHBondContact NH2-OD1 2.79Å
576E71.1Confident86.5Confident204 Ų20439.2 Ų39.295%0.95321%0.21SC*.THydrogen-bonded Turntrans-67.595.3164.2-64.9-166.4152.700110.2
577G74.6Confident86.3Confident55 Ų5538.1 Ų38.157%0.56721%0.208SC*.THydrogen-bonded Turntrans138.9-29.6-178.100000112.6R575R575-G577 PolarHBondContact O-N 3.34Å
578D85.8Confident85.8Confident4 Ų441.2 Ų41.22%0.02123%0.228CC..  trans-74.4154177-54.2-20.5000111Y547 V574 R575 F616 Q617 P619Y547-D578 WeakPolarHBondContact CE2-OD2 3.36Å; Y547-D578 PolarHBondContact OH-OD2 2.88Å; V574-D578 HydrophobicContact CB-CB 4.04Å; V574-D578 HydrophobicContact CG2-CB 4.34Å; R575-D578 WeakPolarHBondContact CB-OD2 3.35Å; R575-D578 WeakPolarHBondContact CD-OD2 3.31Å; R575-D578 WeakPolarHBondContact CG-OD2 3.13Å; R575-D578 PolarHBondContact N-OD2 3.13Å; R575-D578 PolarHBondContact O-N 3.11Å; D578-F616 HydrophobicContact CB-CE2 4.01Å; D578-F616 HydrophobicContact CB-CZ 4.35Å; D578-Q617 WeakPolarHBondContact CA-O 3.46Å; D578-P619 WeakPolarHBondContact OD1-CD 3.22Å
579M88.6Confident85.5Confident31 Ų3144.4 Ų44.415%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-143.5123.9-179.2-175.2170.964.900112.3Q595 R597 Q617M579-Q595 HydrophobicContact CG-CB 4.45Å; M579-Q595 HydrophobicContact SD-CB 4.23Å; M579-Q595 HydrophobicContact SD-CG 3.97Å; M579-R597 HydrophobicContact CB-CG 4.34Å; M579-R597 HydrophobicContact CG-CG 4.22Å; M579-R597 PolarHBondContact SD-NE 3.45Å; M579-R597 PolarHBondContact SD-NH2 2.76Å; M579-Q617 PolarHBondContact N-O 2.94Å; M579-Q617 PolarHBondContact O-N 3.39Å
580L91.4Very high85.3Confident0 Ų045.6 Ų45.60%027%0.266CS..EExtended strand (participates in β ladder)trans-98.6112.2165.6172.466.2000108.6L572 L582 L596 Q615 F616 F631 L633L572-L580 HydrophobicContact CD1-CD2 3.87Å; L580-L582 HydrophobicContact CD1-CD2 4.25Å; L580-L582 HydrophobicContact CG-CD2 4.19Å; L580-L596 HydrophobicContact CB-CB 4.25Å; L580-L596 HydrophobicContact CD2-CD1 4.03Å; L580-L596 PolarHBondContact N-O 2.88Å; L580-L596 PolarHBondContact O-N 2.85Å; L580-Q615 CarbonylContact C-O 3.59Å; L580-Q615 WeakPolarHBondContact CA-O 3.4Å; L580-F616 HydrophobicContact CB-CD2 4.34Å; L580-F616 HydrophobicContact CD1-CB 4.31Å; L580-F631 HydrophobicContact CD1-CZ 4.36Å; L580-F631 HydrophobicContact CD2-CG 4.38Å; L580-L633 HydrophobicContact CD1-CD1 4.46Å; L580-L633 HydrophobicContact CD2-CD1 3.82Å; L580-L633 HydrophobicContact CD2-CD2 4.07Å; L580-L633 HydrophobicContact CD2-CG 4.47Å
581T92.1Very high85.5Confident5 Ų551.7 Ų51.73%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-102.1138.7176.9-53.30000110.2F583 V592 Q595 Q615T581-F583 HydrophobicContact CG2-CD1 4.28Å; T581-F583 HydrophobicContact CG2-CD2 4.14Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.61Å; T581-F583 HydrophobicContact CG2-CG 4.46Å; T581-F583 HydrophobicContact CG2-CZ 3.43Å; T581-F583 VanDerWaalsContact CG2-CZ 3.43Å; T581-V592 HydrophobicContact CG2-CG1 4.11Å; T581-V592 HydrophobicContact CG2-CG2 4.08Å; T581-Q595 HydrophobicContact CG2-CG 3.92Å; T581-Q615 PolarHBondContact N-O 2.97Å; T581-Q615 PolarHBondContact O-N 2.94Å
582L93.9Very high85.9Confident1 Ų151.5 Ų51.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-120.7123.1-177.4-55.5175.9000108.7L567 L580 V592 L593 A594 L596 L605 L614L567-L582 HydrophobicContact CD2-CD1 3.76Å; L567-L582 HydrophobicContact CD2-CD2 3.87Å; L567-L582 HydrophobicContact CD2-CG 4.46Å; L580-L582 HydrophobicContact CD1-CD2 4.25Å; L580-L582 HydrophobicContact CG-CD2 4.19Å; L582-V592 CarbonylContact O-C 3.47Å; L582-V592 WeakPolarHBondContact O-CA 3.46Å; L582-L593 HydrophobicContact CB-CB 4.38Å; L582-L593 PolarHBondContact O-N 2.96Å; L582-A594 HydrophobicContact CD1-CB 4.34Å; L582-A594 PolarHBondContact N-O 2.68Å; L582-L596 HydrophobicContact CD1-CD1 3.76Å; L582-L596 HydrophobicContact CD1-CG 4.31Å; L582-L605 HydrophobicContact CD1-CD1 3.31Å; L582-L614 HydrophobicContact CD2-CB 4.38Å; L582-L614 HydrophobicContact CD2-CD2 3.39Å; L582-L614 HydrophobicContact CD2-CG 4.46Å
583F94.1Very high86.1Confident17 Ų1753.6 Ų53.68%0.07530%0.299CS..EExtended strand (participates in β ladder)trans-118.3133-173.8-55.3-91.5000112T581 G585 P588 A590 R591 V592 T613 Q615T581-F583 HydrophobicContact CG2-CD1 4.28Å; T581-F583 HydrophobicContact CG2-CD2 4.14Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.61Å; T581-F583 HydrophobicContact CG2-CG 4.46Å; T581-F583 HydrophobicContact CG2-CZ 3.43Å; T581-F583 VanDerWaalsContact CG2-CZ 3.43Å; F583-G585 PolarHBondContact O-N 3.01Å; F583-G585 VanDerWaalsContact O-N 3.11Å; F583-P588 HydrophobicContact CD2-CB 4.21Å; F583-P588 HydrophobicContact CE1-CB 4.43Å; F583-P588 VanDerWaalsContact CE1-O 3.25Å; F583-P588 WeakPolarHBondContact CE1-O 3.44Å; F583-P588 HydrophobicContact CE2-CB 3.69Å; F583-P588 HydrophobicContact CZ-CB 3.81Å; F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.38Å; F583-R591 CarbonylContact C-O 3.6Å; F583-R591 WeakPolarHBondContact CA-O 3.37Å; F583-V592 HydrophobicContact CD1-CG2 3.75Å; F583-V592 HydrophobicContact CE1-CG2 3.67Å; F583-T613 HydrophobicContact CD2-CG2 4.42Å; F583-T613 PolarHBondContact N-O 2.8Å; F583-T613 PolarHBondContact O-N 2.77Å; F583-Q615 HydrophobicContact CE2-CB 3.85Å
584D91.7Very high86.4Confident20 Ų2051.3 Ų51.311%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-82.175.2-177.8-159.724.7000111.4R591 L593 S607 S608D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.29Å; D584-R591 WeakPolarHBondContact CB-O 3.3Å; D584-R591 PolarHBondContact N-O 2.88Å; D584-L593 HydrophobicContact CB-CD1 4.25Å; D584-L593 HydrophobicContact CB-CD2 3.63Å; D584-L593 HydrophobicContact CB-CG 3.72Å; D584-S607 WeakPolarHBondContact OD1-CA 3.36Å; D584-S607 WeakPolarHBondContact OD1-CB 3.42Å; D584-S608 VanDerWaalsContact CG-OG 3.25Å; D584-S608 PolarHBondContact OD1-N 2.82Å; D584-S608 PolarHBondContact OD1-OG 3.2Å; D584-S608 VanDerWaalsContact OD2-CB 3.26Å; D584-S608 WeakPolarHBondContact OD2-CB 3.35Å; D584-S608 PolarHBondContact OD2-OG 3.08Å
585G89.7Confident86.9Confident13 Ų1355.8 Ų55.813%0.13431%0.309CS..SBendtrans146.5-179.4-179.900000113.9F583 D611 T613F583-G585 PolarHBondContact O-N 3.01Å; F583-G585 VanDerWaalsContact O-N 3.11Å; G585-D611 PolarHBondContact N-O 3.43Å; G585-T613 PolarHBondContact O-N 2.9Å; G585-T613 PolarHBondContact O-OG1 2.73Å
586D86.8Confident87.5Confident126 Ų12653.7 Ų53.767%0.67430%0.302SS*.SBendtrans-69.2123.2171.4179.719.4000111.4D611D586-D611 HydrophobicContact CB-CB 4.34Å
587G88Confident88.1Confident16 Ų1650.4 Ų50.417%0.16528%0.281CS..SBendtrans78.7157.5178.200000116.6S589 A590 T613G587-S589 PolarHBondContact O-N 2.81Å; G587-A590 WeakPolarHBondContact O-CB 3.48Å; G587-A590 PolarHBondContact O-N 3.15Å; G587-A590 VanDerWaalsContact O-N 3.13Å; G587-T613 PolarHBondContact N-OG1 3.01Å
588P83.3Confident88.1Confident67 Ų6748.4 Ų48.444%0.43526%0.26SS..THydrogen-bonded Turntrans-718.2179.132.1-37.6000114.3F583F583-P588 HydrophobicContact CD2-CB 4.21Å; F583-P588 HydrophobicContact CE1-CB 4.43Å; F583-P588 VanDerWaalsContact CE1-O 3.25Å; F583-P588 WeakPolarHBondContact CE1-O 3.44Å; F583-P588 HydrophobicContact CE2-CB 3.69Å; F583-P588 HydrophobicContact CZ-CB 3.81Å
589S83.7Confident87.6Confident117 Ų11752.9 Ų52.982%0.81829%0.29SS*.THydrogen-bonded Turntrans-89.4-10.1170.569.60000113.4G587G587-S589 PolarHBondContact O-N 2.81Å
590A87.2Confident86.6Confident28 Ų2856.3 Ų56.323%0.23131%0.305CS..SBendtrans-74.4179.2-179.900000112.9F583 G587 V592F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.38Å; G587-A590 WeakPolarHBondContact O-CB 3.48Å; G587-A590 PolarHBondContact O-N 3.15Å; G587-A590 VanDerWaalsContact O-N 3.13Å; A590-V592 PolarHBondContact O-N 2.81Å
591R89.4Confident85.5Confident187 Ų18761.2 Ų61.271%0.70634%0.337SS*.EExtended strand (participates in β ladder)trans-73.9124-174.3174.2-170.4174.7-170.3-0111.3F583 D584 L593F583-R591 CarbonylContact C-O 3.6Å; F583-R591 WeakPolarHBondContact CA-O 3.37Å; D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.29Å; D584-R591 WeakPolarHBondContact CB-O 3.3Å; D584-R591 PolarHBondContact N-O 2.88Å; R591-L593 PolarHBondContact O-N 3.19Å
592V91.3Very high84.9Confident61 Ų6168.6 Ų68.637%0.3737%0.365SS..EExtended strand (participates in β ladder)trans-59.5120.7172.71800000111.5T581 L582 F583 A590 Q595T581-V592 HydrophobicContact CG2-CG1 4.11Å; T581-V592 HydrophobicContact CG2-CG2 4.08Å; L582-V592 CarbonylContact O-C 3.47Å; L582-V592 WeakPolarHBondContact O-CA 3.46Å; F583-V592 HydrophobicContact CD1-CG2 3.75Å; F583-V592 HydrophobicContact CE1-CG2 3.67Å; A590-V592 PolarHBondContact O-N 2.81Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å
593L88.9Confident84.4Confident52 Ų5275.3 Ų75.327%0.27239%0.39SS..EExtended strand (participates in β ladder)trans-79.2-45.8168.5-68.8178.2000111.4L582 D584 R591 L612L582-L593 HydrophobicContact CB-CB 4.38Å; L582-L593 PolarHBondContact O-N 2.96Å; D584-L593 HydrophobicContact CB-CD1 4.25Å; D584-L593 HydrophobicContact CB-CD2 3.63Å; D584-L593 HydrophobicContact CB-CG 3.72Å; R591-L593 PolarHBondContact O-N 3.19Å; L593-L612 HydrophobicContact CD1-CD1 3.55Å
594A86.9Confident84.1Confident13 Ų1382.6 Ų82.611%0.10742%0.417CS..EExtended strand (participates in β ladder)trans-159.3155179.200000111.5L582 L596 L605L582-A594 HydrophobicContact CD1-CB 4.34Å; L582-A594 PolarHBondContact N-O 2.68Å; A594-L596 HydrophobicContact CB-CD2 4.41Å; A594-L605 HydrophobicContact CB-CD1 4.08Å
595Q90.7Very high83.9Confident100 Ų10082.6 Ų82.647%0.46742%0.417SS..EExtended strand (participates in β ladder)trans-114.9128.9160.6-72.8176.2-2.300107.6M579 T581 V592M579-Q595 HydrophobicContact CG-CB 4.45Å; M579-Q595 HydrophobicContact SD-CB 4.23Å; M579-Q595 HydrophobicContact SD-CG 3.97Å; T581-Q595 HydrophobicContact CG2-CG 3.92Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å
596L87.2Confident83.8Confident11 Ų1185.5 Ų85.56%0.05843%0.429CS..EExtended strand (participates in β ladder)trans-114.2128.7-176.3-60.5-179.9000108.8V569 L572 L580 L582 A594V569-L596 HydrophobicContact CG2-CD1 3.9Å; L572-L596 HydrophobicContact CD1-CB 4.22Å; L572-L596 HydrophobicContact CD2-CB 3.8Å; L580-L596 HydrophobicContact CB-CB 4.25Å; L580-L596 HydrophobicContact CD2-CD1 4.03Å; L580-L596 PolarHBondContact N-O 2.88Å; L580-L596 PolarHBondContact O-N 2.85Å; L582-L596 HydrophobicContact CD1-CD1 3.76Å; L582-L596 HydrophobicContact CD1-CG 4.31Å; A594-L596 HydrophobicContact CB-CD2 4.41Å
597R84.4Confident84Confident135 Ų13579.7 Ų79.751%0.50940%0.398SS..  trans-145.2145.9-177.5-56.9-172.1-169.7154.55.7110.2M579 Q600M579-R597 HydrophobicContact CB-CG 4.34Å; M579-R597 HydrophobicContact CG-CG 4.22Å; M579-R597 PolarHBondContact SD-NE 3.45Å; M579-R597 PolarHBondContact SD-NH2 2.76Å; R597-Q600 PolarHBondContact O-NE2 2.73Å
598G75.3Confident83.9Confident12 Ų1281.8 Ų81.812%0.12441%0.41CS..SBendtrans61.7-170.5-177.200000113.6L572 V574L572-G598 WeakPolarHBondContact CD2-O 3.29Å; V574-G598 WeakPolarHBondContact O-CA 3.04Å
599P74.2Confident84Confident99 Ų9979.2 Ų79.264%0.64340%0.396SS*.SBendtrans-69.412917228.1-33.4000111.2L572L572-P599 WeakPolarHBondContact O-CA 3.37Å
600Q68.4Low84.4Confident102 Ų10274.2 Ų74.248%0.47736%0.361SS..  trans-129.7148.3179-64.6-67.7-3000111.2L572 R597L572-Q600 HydrophobicContact CD2-CB 3.67Å; L572-Q600 HydrophobicContact CD2-CG 3.47Å; L572-Q600 VanDerWaalsContact CD2-CG 3.47Å; R597-Q600 PolarHBondContact O-NE2 2.73Å
601P68.5Low84.7Confident104 Ų10475 Ų7568%0.67536%0.361SS*.  trans-67.3154.4173.830-35.6000111.6R603P601-R603 PolarHBondContact O-N 3.35Å
602R79.9Confident84.9Confident160 Ų16066.2 Ų66.260%0.60433%0.328SS*.  trans-51.6124.7177.2-67.8-176.5179-139.5-7.2111.1V569 E570V569-R602 WeakPolarHBondContact O-CA 3.44Å; E570-R602 VanDerWaalsContact CD-CZ 3.46Å; E570-R602 VanDerWaalsContact CD-NH2 3.34Å; E570-R602 WeakPolarHBondContact O-CG 3.45Å; E570-R602 PolarHBondContact O-NE 3.34Å; E570-R602 IonicContact OE1-CZ 2.63Å; E570-R602 IonicContact OE1-NH1 3.38Å; E570-R602 PolarHBondContact OE1-NH1 3.45Å; E570-R602 IonicContact OE1-NH2 3.78Å; E570-R602 PolarHBondContact OE1-NH2 3.12Å; E570-R602 IonicContact OE2-CZ 3.22Å; E570-R602 IonicContact OE2-NH1 3.17Å; E570-R602 PolarHBondContact OE2-NH1 3.43Å
603R82.9Confident85.1Confident141 Ų14163.5 Ų63.553%0.53231%0.311SS..EExtended strand (participates in β ladder)trans-137.5144.9-174.3-177.5171.4176.1-177.7-3.7111.1V569 P601 L605V569-R603 PolarHBondContact N-O 2.75Å; V569-R603 PolarHBondContact O-N 3.11Å; P601-R603 PolarHBondContact O-N 3.35Å; R603-L605 HydrophobicContact CG-CD2 4.5Å
604R87.1Confident85.4Confident170 Ų17061 Ų6164%0.64230%0.298SS*.EExtended strand (participates in β ladder)trans-102.3143.8169.6-68.5177.4179.6157.73.5110.7L566 L567 Q568L566-R604 HydrophobicContact CD1-CB 4.37Å; L567-R604 CarbonylContact O-C 3.42Å; L567-R604 WeakPolarHBondContact O-CA 3.48Å; Q568-R604 HydrophobicContact CB-CG 4.24Å; Q568-R604 HydrophobicContact CG-CG 4.09Å; Q568-R604 VanDerWaalsContact OE1-CZ 3.31Å
605L87.8Confident85.7Confident20 Ų2061.5 Ų61.511%0.10530%0.299CS..EExtended strand (participates in β ladder)trans-137.1151.9178.1-64.2172.5000108.3L567 L582 A594 R603L567-L605 HydrophobicContact CB-CB 4.43Å; L567-L605 PolarHBondContact N-O 2.78Å; L567-L605 PolarHBondContact O-N 2.83Å; L582-L605 HydrophobicContact CD1-CD1 3.31Å; A594-L605 HydrophobicContact CB-CD1 4.08Å; R603-L605 HydrophobicContact CG-CD2 4.5Å
606L88.5Confident85.8Confident74 Ų7456.8 Ų56.839%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-134.8130.8-174.6-172.675.1000108.9R564 I565 L566 V638 N641R564-L606 HydrophobicContact CB-CD1 4.2Å; I565-L606 WeakPolarHBondContact O-CA 3.34Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.07Å; L606-V638 HydrophobicContact CD1-CG2 3.52Å; L606-N641 HydrophobicContact CD2-CB 4.44Å
607S91.1Very high86Confident4 Ų459.4 Ų59.43%0.02829%0.289CS..  trans-74.7165.4170.4660000111.8R564 I565 D584 G609R564-S607 WeakPolarHBondContact CD-O 3.15Å; R564-S607 WeakPolarHBondContact CG-O 3.41Å; I565-S607 PolarHBondContact N-OG 3.5Å; I565-S607 PolarHBondContact O-N 3.03Å; D584-S607 WeakPolarHBondContact OD1-CA 3.36Å; D584-S607 WeakPolarHBondContact OD1-CB 3.42Å; S607-G609 PolarHBondContact OG-O 2.83Å
608S85.3Confident86.1Confident60 Ų6053.2 Ų53.242%0.4227%0.266SS..SBendtrans-92.6-20172.167.20000113.7R564 D584R564-S608 PolarHBondContact NE-O 2.94Å; R564-S608 PolarHBondContact NH2-O 2.84Å; R564-S608 VanDerWaalsContact NH2-O 3.15Å; D584-S608 VanDerWaalsContact CG-OG 3.25Å; D584-S608 PolarHBondContact OD1-N 2.82Å; D584-S608 PolarHBondContact OD1-OG 3.2Å; D584-S608 VanDerWaalsContact OD2-CB 3.26Å; D584-S608 WeakPolarHBondContact OD2-CB 3.35Å; D584-S608 PolarHBondContact OD2-OG 3.08Å
609G86.5Confident86.5Confident14 Ų1455.8 Ų55.814%0.14428%0.281CS..SBendtrans-131.6-169.3177.200000114.1S607 D611S607-G609 PolarHBondContact OG-O 2.83Å; G609-D611 VanDerWaalsContact C-N 3.27Å; G609-D611 PolarHBondContact O-N 2.93Å
610P90.5Very high86.8Confident11 Ų1156.7 Ų56.77%0.07129%0.286CS..SBendtrans-72.3-17.5-179.730.3-35.5000113.8V559 I565V559-P610 HydrophobicContact CG2-CB 4.31Å; V559-P610 WeakPolarHBondContact CG2-O 3.49Å; V559-P610 PolarHBondContact N-O 3.25Å; V559-P610 WeakPolarHBondContact O-CB 3.16Å; I565-P610 WeakPolarHBondContact CD1-O 3.47Å
611D93.2Very high86.9Confident45 Ų4553.6 Ų53.624%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-105144.7-174.4-36.9-67.7000112.4V557 H558 G585 D586 G609V557-D611 CarbonylContact O-C 3.58Å; V557-D611 WeakPolarHBondContact O-CA 3.46Å; H558-D611 IonicContact CE1-OD1 2.72Å; H558-D611 IonicContact CG-OD1 3.72Å; H558-D611 IonicContact ND1-OD1 2.75Å; H558-D611 PolarHBondContact ND1-OD1 3.36Å; G585-D611 PolarHBondContact N-O 3.43Å; D586-D611 HydrophobicContact CB-CB 4.34Å; G609-D611 VanDerWaalsContact C-N 3.27Å; G609-D611 PolarHBondContact O-N 2.93Å
612L94.6Very high86.6Confident3 Ų353.2 Ų53.22%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-148.9117.4177.2176.374.5000109.4V557 I565 L567 L593 L614V557-L612 HydrophobicContact CB-CB 4.4Å; V557-L612 WeakPolarHBondContact CB-O 3.17Å; V557-L612 PolarHBondContact N-O 2.72Å; V557-L612 PolarHBondContact O-N 2.95Å; I565-L612 HydrophobicContact CB-CB 4.39Å; I565-L612 HydrophobicContact CB-CD2 4.23Å; I565-L612 HydrophobicContact CD1-CB 3.55Å; I565-L612 HydrophobicContact CG2-CD2 3.68Å; L567-L612 HydrophobicContact CB-CD2 4.16Å; L567-L612 HydrophobicContact CD1-CD2 4.24Å; L567-L612 HydrophobicContact CD2-CD2 4.35Å; L567-L612 HydrophobicContact CG-CD2 4.49Å; L593-L612 HydrophobicContact CD1-CD1 3.55Å; L612-L614 HydrophobicContact CD2-CD2 3.92Å; L612-L614 HydrophobicContact CG-CD2 3.91Å
613T95.3Very high85.7Confident3 Ų350.6 Ų50.62%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-100.7134.4177.2-57.40000111.2V554 F583 G585 G587V554-T613 HydrophobicContact CG1-CG2 3.77Å; F583-T613 HydrophobicContact CD2-CG2 4.42Å; F583-T613 PolarHBondContact N-O 2.8Å; F583-T613 PolarHBondContact O-N 2.77Å; G585-T613 PolarHBondContact O-N 2.9Å; G585-T613 PolarHBondContact O-OG1 2.73Å; G587-T613 PolarHBondContact N-OG1 3.01Å
614L94.6Very high84.5Confident0 Ų044.9 Ų44.90%026%0.264CS..EExtended strand (participates in β ladder)trans-113.7127.7179.4-39.8173.7000108.3V538 V554 W555 V557 L567 L582 L612 L633V538-L614 HydrophobicContact CB-CD1 3.97Å; V538-L614 HydrophobicContact CG1-CD1 3.9Å; V538-L614 HydrophobicContact CG2-CD1 3.66Å; V554-L614 CarbonylContact C-O 3.46Å; V554-L614 WeakPolarHBondContact CA-O 3.49Å; W555-L614 HydrophobicContact CB-CB 4.29Å; W555-L614 HydrophobicContact CB-CD1 4.22Å; W555-L614 HydrophobicContact CB-CG 4.47Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 2.76Å; W555-L614 PolarHBondContact O-N 2.9Å; V557-L614 HydrophobicContact CG2-CD1 4.01Å; V557-L614 HydrophobicContact CG2-CG 4.27Å; L567-L614 HydrophobicContact CD2-CD2 4.16Å; L582-L614 HydrophobicContact CD2-CB 4.38Å; L582-L614 HydrophobicContact CD2-CD2 3.39Å; L582-L614 HydrophobicContact CD2-CG 4.46Å; L612-L614 HydrophobicContact CD2-CD2 3.92Å; L612-L614 HydrophobicContact CG-CD2 3.91Å; L614-L633 HydrophobicContact CD1-CD1 4.32Å
615Q94.2Very high82.7Confident24 Ų2442.5 Ų42.511%0.11227%0.27CS..EExtended strand (participates in β ladder)trans-125.9124.8173.3-176.5168.922.600111D552 C553 V554 L580 T581 F583 Q617D552-Q615 PolarHBondContact OD1-NE2 2.89Å; D552-Q615 PolarHBondContact OD2-NE2 3.07Å; C553-Q615 CarbonylContact O-C 3.56Å; C553-Q615 VanDerWaalsContact O-CA 3.31Å; C553-Q615 WeakPolarHBondContact O-CA 3.41Å; V554-Q615 HydrophobicContact CG2-CB 4.33Å; V554-Q615 HydrophobicContact CG2-CG 3.93Å; L580-Q615 CarbonylContact C-O 3.59Å; L580-Q615 WeakPolarHBondContact CA-O 3.4Å; T581-Q615 PolarHBondContact N-O 2.97Å; T581-Q615 PolarHBondContact O-N 2.94Å; F583-Q615 HydrophobicContact CE2-CB 3.85Å; Q615-Q617 HydrophobicContact CG-CG 4.23Å
616F92.9Very high80.9Confident0 Ų042.3 Ų42.30%027%0.273CS..EExtended strand (participates in β ladder)trans-110.1123.3173.7176.3-118000110.9Y547 D552 C553 W555 V574 D578 L580 A618 F631Y547-F616 HydrophobicContact CD1-CE1 4.46Å; Y547-F616 HydrophobicContact CD1-CZ 4.38Å; Y547-F616 AromaticContact CD2-CE1 3.81Å; Y547-F616 HydrophobicContact CD2-CE1 3.81Å; Y547-F616 AromaticContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CD2-CZ 3.82Å; Y547-F616 HydrophobicContact CE1-CZ 4.28Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.69Å; Y547-F616 HydrophobicContact CE2-CZ 3.69Å; Y547-F616 AromaticContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CE1 3.99Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.97Å; D552-F616 CarbonylContact C-O 3.55Å; D552-F616 WeakPolarHBondContact CA-O 3.42Å; C553-F616 PolarHBondContact N-O 2.04Å; C553-F616 PolarHBondContact O-N 2.83Å; W555-F616 HydrophobicContact CH2-CB 4.14Å; W555-F616 HydrophobicContact CZ3-CB 3.75Å; V574-F616 HydrophobicContact CB-CE2 4.38Å; V574-F616 HydrophobicContact CG1-CE2 3.9Å; V574-F616 HydrophobicContact CG1-CZ 4.45Å; D578-F616 HydrophobicContact CB-CE2 4.01Å; D578-F616 HydrophobicContact CB-CZ 4.35Å; L580-F616 HydrophobicContact CB-CD2 4.34Å; L580-F616 HydrophobicContact CD1-CB 4.31Å; F616-A618 HydrophobicContact CE1-CB 3.9Å; F616-A618 HydrophobicContact CZ-CB 3.86Å; F616-F631 HydrophobicContact CB-CE1 3.91Å; F616-F631 HydrophobicContact CB-CZ 3.99Å; F616-F631 AromaticContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD2-CD1 4.29Å; F616-F631 AromaticContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CZ 4.49Å; F616-F631 HydrophobicContact CE1-CE1 4.35Å; F616-F631 HydrophobicContact CE2-CD1 4.42Å; F616-F631 HydrophobicContact CE2-CE1 4.02Å; F616-F631 AromaticContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CZ 4.1Å; F616-F631 HydrophobicContact CZ-CE1 4.38Å
617Q90.9Very high79Confident67 Ų6743.8 Ų43.831%0.31328%0.281SS..EExtended strand (participates in β ladder)trans-118.6120177.5-73.7171.7-14.300110D552 D578 M579 Q615D552-Q617 HydrophobicContact CB-CG 4.5Å; D552-Q617 VanDerWaalsContact OD1-CG 3.26Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.45Å; D578-Q617 WeakPolarHBondContact CA-O 3.46Å; M579-Q617 PolarHBondContact N-O 2.94Å; M579-Q617 PolarHBondContact O-N 3.39Å; Q615-Q617 HydrophobicContact CG-CG 4.23Å
618A87.6Confident77.2Confident4 Ų444.7 Ų44.73%0.03329%0.291CS..  trans-117.5107.7172.500000109.1Y547 G550 Q551 F616Y547-A618 HydrophobicContact CD2-CB 4.19Å; Y547-A618 HydrophobicContact CE2-CB 4.18Å; G550-A618 CarbonylContact C-O 3.49Å; G550-A618 WeakPolarHBondContact CA-O 3.42Å; G550-A618 PolarHBondContact N-O 3.35Å; Q551-A618 HydrophobicContact CB-CB 4.46Å; Q551-A618 PolarHBondContact N-O 2.83Å; Q551-A618 PolarHBondContact O-N 2.86Å; F616-A618 HydrophobicContact CE1-CB 3.9Å; F616-A618 HydrophobicContact CZ-CB 3.86Å
619P83.5Confident76.4Confident67 Ų6744.4 Ų44.444%0.43528%0.283SS..  trans-58.5154.5179.922.5-33.7000113.1G550 D578 G621G550-P619 PolarHBondContact N-O 3.45Å; D578-P619 WeakPolarHBondContact OD1-CD 3.22Å; P619-G621 PolarHBondContact O-N 2.76Å
620P80.1Confident76.2Confident117 Ų11743.8 Ų43.876%0.7628%0.276SS*.SBendtrans-65135.5176.327.7-34.8000111.1
621G69.4Low76Confident38 Ų3843.2 Ų43.239%0.39227%0.273SS..  trans-173.2-174.9-176.200000110.9P549 P619P549-G621 WeakPolarHBondContact CB-O 3.48Å; P549-G621 VanDerWaalsContact CG-O 3.32Å; P549-G621 WeakPolarHBondContact CG-O 3.49Å; P619-G621 PolarHBondContact O-N 2.76Å
622P63.9Low75.9Confident95 Ų9541.7 Ų41.762%0.61727%0.265SS*.SBendtrans-63.2148.9177.326.8-33.9000111.4R575R575-P622 PolarHBondContact NH1-O 3.24Å; R575-P622 PolarHBondContact NH2-O 2.97Å
623P59.3Low75.8Confident106 Ų10641.6 Ų41.669%0.68826%0.264SS*.  trans-59.5157.1174.727.4-35.1000111
624N57.4Low75.7Confident21 Ų2144.8 Ų44.811%0.11228%0.279CS..  trans-113.5104.4-160.6-150.335.1000109.9S546 R575 G626 Q629S546-N624 WeakPolarHBondContact CB-O 3.42Å; S546-N624 PolarHBondContact OG-O 3.39Å; R575-N624 WeakPolarHBondContact CG-ND2 3.36Å; R575-N624 PolarHBondContact NE-OD1 3.27Å; R575-N624 PolarHBondContact NH2-OD1 2.79Å; N624-G626 PolarHBondContact O-N 3.5Å; N624-Q629 PolarHBondContact ND2-OE1 2.98Å
625P49.2Very low75.7Confident119 Ų11945.1 Ų45.177%0.77328%0.28SS*.  trans-81.628.6-163.834.6-38.9000114.3
626G51.9Low75.6Confident17 Ų1749.1 Ų49.118%0.17530%0.297CS..  trans-122.5115.3-172.500000113.3N624 Q629N624-G626 PolarHBondContact O-N 3.5Å; G626-Q629 PolarHBondContact O-N 2.96Å
627L48.2Very low75.6Confident105 Ų10551.6 Ų51.655%0.5531%0.309SS..THydrogen-bonded Turntrans-59.8141.5171-16968.1000110.7Q629L627-Q629 VanDerWaalsContact C-N 3.28Å; L627-Q629 PolarHBondContact O-N 2.84Å
628G53.2Low75.4Confident23 Ų2349.7 Ų49.724%0.23730%0.302CS..THydrogen-bonded Turntrans69.716.6178.800000115.6P544 N573P544-G628 PolarHBondContact O-N 2.93Å; N573-G628 PolarHBondContact ND2-O 3.41Å
629Q68.4Low75Confident54 Ų5454.2 Ų54.225%0.25233%0.331SS..  trans-84.1118.2161.3-64.5-164.12500108.9Y547 N573 N624 G626 L627Y547-Q629 VanDerWaalsContact CE1-O 3.26Å; Y547-Q629 WeakPolarHBondContact CE1-O 3.32Å; N573-Q629 CarbonylContact O-C 3.55Å; N573-Q629 WeakPolarHBondContact O-CA 3.47Å; N624-Q629 PolarHBondContact ND2-OE1 2.98Å; G626-Q629 PolarHBondContact O-N 2.96Å; L627-Q629 VanDerWaalsContact C-N 3.28Å; L627-Q629 PolarHBondContact O-N 2.84Å
630G80.9Confident74.4Confident0 Ų056 Ų560%033%0.329CS..EExtended strand (participates in β ladder)trans163.2-160.4-16600000112.5S540 N573S540-G630 WeakPolarHBondContact OG-CA 3.46Å; N573-G630 CarbonylContact C-O 3.46Å; N573-G630 PolarHBondContact N-O 2.9Å; N573-G630 PolarHBondContact O-N 2.92Å
631F87.9Confident73.6Confident0 Ų055.1 Ų55.10%032%0.318CS..EExtended strand (participates in β ladder)trans-147.2153.7174.558.5-102000112.7V538 L539 S540 W555 I571 L572 V574 L580 F616 L633V538-F631 HydrophobicContact CG1-CE2 4.45Å; L539-F631 VanDerWaalsContact C-CE2 3.46Å; L539-F631 WeakPolarHBondContact CA-O 3.3Å; S540-F631 PolarHBondContact N-O 3.29Å; S540-F631 VanDerWaalsContact N-O 3.08Å; S540-F631 PolarHBondContact OG-N 2.84Å; S540-F631 VanDerWaalsContact OG-N 3.17Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.73Å; W555-F631 HydrophobicContact CH2-CZ 3.73Å; W555-F631 AromaticContact CZ3-CZ 3.97Å; W555-F631 HydrophobicContact CZ3-CZ 3.97Å; I571-F631 VanDerWaalsContact O-CA 3.3Å; I571-F631 WeakPolarHBondContact O-CA 3.46Å; I571-F631 WeakPolarHBondContact O-CB 3.46Å; L572-F631 HydrophobicContact CD1-CB 4.01Å; V574-F631 HydrophobicContact CG1-CD1 4.04Å; L580-F631 HydrophobicContact CD1-CZ 4.36Å; L580-F631 HydrophobicContact CD2-CG 4.38Å; F616-F631 HydrophobicContact CB-CE1 3.91Å; F616-F631 HydrophobicContact CB-CZ 3.99Å; F616-F631 AromaticContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD1-CE1 3.95Å; F616-F631 HydrophobicContact CD2-CD1 4.29Å; F616-F631 AromaticContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CE1 3.58Å; F616-F631 HydrophobicContact CD2-CZ 4.49Å; F616-F631 HydrophobicContact CE1-CE1 4.35Å; F616-F631 HydrophobicContact CE2-CD1 4.42Å; F616-F631 HydrophobicContact CE2-CE1 4.02Å; F616-F631 AromaticContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CE1 3.53Å; F616-F631 HydrophobicContact CG-CZ 4.1Å; F616-F631 HydrophobicContact CZ-CE1 4.38Å; F631-L633 HydrophobicContact CD2-CD1 3.89Å; F631-L633 HydrophobicContact CD2-CG 3.84Å; F631-L633 HydrophobicContact CE2-CD1 4Å; F631-L633 HydrophobicContact CE2-CG 4.42Å
632V90.5Very high73.3Confident13 Ų1354.2 Ų54.28%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-133.3114.4174.9-177.40000107.9V537 L539 W543 E570 I571V537-V632 HydrophobicContact CG1-CG1 3.96Å; L539-V632 HydrophobicContact CD2-CB 4.33Å; L539-V632 HydrophobicContact CD2-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CG2 3.94Å; W543-V632 HydrophobicContact CD2-CG2 4.17Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CH2-CG2 4.09Å; W543-V632 HydrophobicContact CZ2-CG2 3.45Å; W543-V632 VanDerWaalsContact CZ2-CG2 3.45Å; E570-V632 HydrophobicContact CB-CB 4.35Å; E570-V632 HydrophobicContact CB-CG1 4.27Å; E570-V632 PolarHBondContact N-O 2.8Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.16Å; I571-V632 HydrophobicContact CD1-CG2 4.09Å; I571-V632 HydrophobicContact CG1-CB 4.39Å; I571-V632 HydrophobicContact CG1-CG2 4.38Å; I571-V632 PolarHBondContact N-O 3.41Å; I571-V632 PolarHBondContact O-N 2.88Å
633L92.3Very high73.6Confident0 Ų052.2 Ų52.20%029%0.29CS..EExtended strand (participates in β ladder)trans-118120.2-178.1-50171.6000108.6V537 V538 L567 V569 L580 L614 F631V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.37Å; V538-L633 HydrophobicContact CB-CB 4.35Å; V538-L633 HydrophobicContact CB-CD1 4.46Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.38Å; L567-L633 HydrophobicContact CD1-CB 4.04Å; V569-L633 HydrophobicContact CB-CD2 4.28Å; V569-L633 HydrophobicContact CG1-CD2 4.14Å; V569-L633 HydrophobicContact CG2-CD2 3.94Å; L580-L633 HydrophobicContact CD1-CD1 4.46Å; L580-L633 HydrophobicContact CD2-CD1 3.82Å; L580-L633 HydrophobicContact CD2-CD2 4.07Å; L580-L633 HydrophobicContact CD2-CG 4.47Å; L614-L633 HydrophobicContact CD1-CD1 4.32Å; F631-L633 HydrophobicContact CD2-CD1 3.89Å; F631-L633 HydrophobicContact CD2-CG 3.84Å; F631-L633 HydrophobicContact CE2-CD1 4Å; F631-L633 HydrophobicContact CE2-CG 4.42Å
634H93.4Very high74.4Confident71 Ų7147.4 Ų47.433%0.32926%0.259SS..EExtended strand (participates in β ladder)trans-95.9131.2171.6-69.5-96000109.2L567 Q568L567-H634 CarbonylContact C-O 3.59Å; Q568-H634 PolarHBondContact N-O 2.79Å; Q568-H634 PolarHBondContact O-N 3.45Å
635F94.4Very high75.5Confident7 Ų750.4 Ų50.43%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-118.6151.6173.273.1-89.1000110.8L531 E533 A535 G536 V538 V557 I565 L566 L567L531-F635 HydrophobicContact CB-CZ 4.09Å; L531-F635 HydrophobicContact CD1-CE1 4.04Å; L531-F635 HydrophobicContact CD1-CZ 4.42Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å; A535-F635 VanDerWaalsContact CA-O 3.3Å; A535-F635 WeakPolarHBondContact CA-O 3.5Å; G536-F635 VanDerWaalsContact C-CD1 3.47Å; G536-F635 VanDerWaalsContact CA-CE1 3.41Å; G536-F635 PolarHBondContact N-O 3.14Å; G536-F635 WeakPolarHBondContact O-CD1 3.29Å; G536-F635 PolarHBondContact O-N 2.89Å; V538-F635 HydrophobicContact CG2-CD1 4.05Å; V538-F635 HydrophobicContact CG2-CE1 4.1Å; V557-F635 HydrophobicContact CG1-CD1 4.43Å; V557-F635 HydrophobicContact CG1-CD2 3.53Å; V557-F635 HydrophobicContact CG1-CE1 4.38Å; V557-F635 HydrophobicContact CG1-CE2 3.46Å; V557-F635 VanDerWaalsContact CG1-CE2 3.46Å; V557-F635 HydrophobicContact CG1-CG 4.03Å; V557-F635 HydrophobicContact CG1-CZ 3.92Å; I565-F635 HydrophobicContact CG2-CB 3.92Å; L566-F635 WeakPolarHBondContact O-CA 3.31Å; L567-F635 HydrophobicContact CD1-CB 3.85Å
636K93Very high77Confident108 Ų10851.5 Ų51.547%0.4727%0.274SS..EExtended strand (participates in β ladder)trans-153.8153.9168.963.2171-172.5166.30112.2P534 A535 L566P534-K636 CarbonylContact O-C 3.45Å; P534-K636 WeakPolarHBondContact O-CA 3.4Å; A535-K636 HydrophobicContact CB-CB 3.74Å; L566-K636 HydrophobicContact CB-CG 4.33Å; L566-K636 PolarHBondContact N-O 2.84Å; L566-K636 PolarHBondContact O-N 2.75Å; L566-K636 VanDerWaalsContact O-N 3.1Å
637E92.1Very high78.6Confident51 Ų5151.8 Ų51.824%0.23827%0.272CS..EExtended strand (participates in β ladder)trans-63.9144.8166.669.1170.4-126.300111.4P534 V559 Q560 K563 R564P534-E637 HydrophobicContact CB-CG 4.07Å; P534-E637 PolarHBondContact O-N 2.95Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.33Å; Q560-E637 PolarHBondContact NE2-OE1 3.31Å; Q560-E637 PolarHBondContact NE2-OE2 3.43Å; K563-E637 HydrophobicContact CB-CB 4.22Å; K563-E637 HydrophobicContact CG-CB 4.28Å; R564-E637 CarbonylContact O-C 3.58Å; R564-E637 WeakPolarHBondContact O-CA 3.25Å
638V86.8Confident80.3Confident27 Ų2751 Ų5116%0.16427%0.273CS..EExtended strand (participates in β ladder)trans-141.4153.1171.2-70.90000109R564 L566 L606R564-V638 HydrophobicContact CB-CG2 4.13Å; R564-V638 PolarHBondContact N-O 2.81Å; R564-V638 VanDerWaalsContact O-CG2 3.31Å; R564-V638 WeakPolarHBondContact O-CG2 3.47Å; R564-V638 PolarHBondContact O-N 2.99Å; L566-V638 HydrophobicContact CB-CG1 3.77Å; L566-V638 HydrophobicContact CB-CG2 3.96Å; L566-V638 HydrophobicContact CD2-CG1 4.31Å; L606-V638 HydrophobicContact CD1-CG2 3.52Å
639P78.9Confident81.9Confident99 Ų9953.6 Ų53.664%0.64329%0.286SS*.EExtended strand (participates in β ladder)trans-59.3148.4175.425.3-35000111.4N641P639-N641 PolarHBondContact O-N 2.85Å; P639-N641 VanDerWaalsContact O-N 3.13Å
640R70.4Confident82.9Confident105 Ų10551.8 Ų51.840%0.39628%0.279SS..  trans-63.7114.1179.4-155.3176.3-148.4-120.117.1109.7R564 D642R564-R640 HydrophobicContact CG-CG 4.16Å; R564-R640 VanDerWaalsContact CZ-CG 3.41Å; R640-D642 WeakPolarHBondContact CD-OD2 3.33Å; R640-D642 IonicContact CZ-OD2 2.67Å; R640-D642 IonicContact NE-OD2 3.97Å; R640-D642 IonicContact NH1-OD2 2.7Å; R640-D642 PolarHBondContact NH1-OD2 2.82Å; R640-D642 PolarHBondContact O-N 2.84Å
641N63.9Low83.2Confident98 Ų9859.3 Ų59.352%0.52431%0.314SS..SBendtrans-69.953.7177.8-168.380000113.1R564 L606 P639R564-N641 VanDerWaalsContact NH1-N 3.17Å; R564-N641 PolarHBondContact NH1-O 3.3Å; L606-N641 HydrophobicContact CD2-CB 4.44Å; P639-N641 PolarHBondContact O-N 2.85Å; P639-N641 VanDerWaalsContact O-N 3.13Å
642D63.7Low83.2Confident19 Ų1966 Ų6610%0.10234%0.339CS..  trans-112.617.9171.1-61.4-18.6000110.2R564 R640 I663 R664 L690R564-D642 IonicContact CZ-OD1 2.99Å; R564-D642 VanDerWaalsContact CZ-OD1 3.26Å; R564-D642 IonicContact CZ-OD2 3.24Å; R564-D642 IonicContact NH1-OD1 2.78Å; R564-D642 PolarHBondContact NH1-OD1 3.48Å; R564-D642 VanDerWaalsContact NH2-CG 3.34Å; R564-D642 IonicContact NH2-OD1 3.27Å; R564-D642 PolarHBondContact NH2-OD1 3.04Å; R564-D642 IonicContact NH2-OD2 3.78Å; R564-D642 PolarHBondContact NH2-OD2 2.95Å; R640-D642 WeakPolarHBondContact CD-OD2 3.33Å; R640-D642 IonicContact CZ-OD2 2.67Å; R640-D642 IonicContact NE-OD2 3.97Å; R640-D642 IonicContact NH1-OD2 2.7Å; R640-D642 PolarHBondContact NH1-OD2 2.82Å; R640-D642 PolarHBondContact O-N 2.84Å; D642-I663 WeakPolarHBondContact O-CA 3.26Å; D642-R664 PolarHBondContact O-N 3.41Å; D642-R664 VanDerWaalsContact O-N 3.08Å; D642-R664 IonicContact OD1-NH1 3.32Å; D642-L690 WeakPolarHBondContact O-CD2 3.35Å
643T69.8Low83.1Confident53 Ų5366.2 Ų66.233%0.32534%0.344SS..BIsolated β-bridgetrans-90.8131.1-179.449.50000111.8L662 I663T643-L662 CarbonylContact C-O 3.54Å; T643-L662 VanDerWaalsContact CA-O 3.31Å; T643-L662 WeakPolarHBondContact CA-O 3.36Å; T643-I663 HydrophobicContact CG2-CG2 4.03Å
644C76.6Confident83Confident6 Ų671.2 Ų71.24%0.04136%0.363CS..PPolyproline II helixtrans-68156.9167.3-75.80000111.7L662 C686 L690 S691 W692C644-L662 PolarHBondContact N-O 2.92Å; C644-C686 HydrophobicContact CB-CB 3.87Å; C644-C686 WeakPolarHBondContact CB-SG 3.44Å; C644-C686 WeakPolarHBondContact SG-CA 3.49Å; C644-C686 WeakPolarHBondContact SG-CB 3.06Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 3.49Å; C644-L690 PolarHBondContact SG-O 2.98Å; C644-L690 VanDerWaalsContact SG-O 3.37Å; C644-S691 PolarHBondContact SG-O 2.83Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; C644-W692 HydrophobicContact CB-CD2 4.25Å; C644-W692 HydrophobicContact CB-CH2 4.27Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å
645P80.3Confident82.9Confident83 Ų8370.9 Ų70.954%0.53936%0.358SS..PPolyproline II helixtrans-55.4141.6175.8-25.233.9000112.5L647 L690 W692P645-L647 PolarHBondContact O-N 3.14Å; P645-L690 VanDerWaalsContact CD-O 3.27Å; P645-L690 WeakPolarHBondContact CD-O 3.25Å; P645-W692 PolarHBondContact O-NE1 2.96Å
646E80.6Confident82.7Confident142 Ų14273.8 Ų73.866%0.66438%0.377SS*.PPolyproline II helixtrans-71.9129.7176.9-178155.6-137.100111.8R655 L662E646-R655 IonicContact OE1-CZ 3.68Å; E646-R655 IonicContact OE1-NH1 3.09Å; E646-R655 IonicContact OE1-NH2 3.69Å; E646-R655 PolarHBondContact OE1-NH2 3.31Å; E646-L662 HydrophobicContact CB-CD1 3.91Å; E646-L662 HydrophobicContact CG-CD1 4.04Å
647L85.5Confident82.4Confident24 Ų2471.1 Ų71.113%0.12638%0.375CS..PPolyproline II helixtrans-101.9137.4175-62178.2000110.3P645 R655 L668 Y670 L684 W692 P696P645-L647 PolarHBondContact O-N 3.14Å; L647-R655 PolarHBondContact O-NE 3.23Å; L647-R655 VanDerWaalsContact O-NE 3.11Å; L647-R655 PolarHBondContact O-NH1 3.36Å; L647-R655 VanDerWaalsContact O-NH1 3.08Å; L647-L668 HydrophobicContact CD1-CD1 4.32Å; L647-Y670 WeakPolarHBondContact CB-OH 3.18Å; L647-L684 HydrophobicContact CD1-CD2 3.54Å; L647-W692 HydrophobicContact CD1-CB 4.47Å; L647-W692 HydrophobicContact CD1-CD2 3.99Å; L647-W692 HydrophobicContact CD1-CG 3.77Å; L647-W692 HydrophobicContact CG-CG 4.43Å; L647-P696 HydrophobicContact CD1-CB 4.41Å; L647-P696 HydrophobicContact CD2-CG 4.43Å
648P83.8Confident82Confident88 Ų8871.9 Ų71.957%0.57139%0.386SS*.PPolyproline II helixtrans-67.3159.3176.129.4-35.4000112.1
649P87.1Confident81.3Confident78 Ų7875.9 Ų75.951%0.50640%0.403SS..PPolyproline II helixtrans-64.6154.5162.531.5-34.8000110.6R655P649-R655 HydrophobicContact CB-CG 4.41Å
650P89.3Confident81Confident16 Ų1675.1 Ų75.110%0.10441%0.413CS..PPolyproline II helixtrans-76.2150.5175.933.8-33.4000110.4W652 G653 Y670P650-W652 PolarHBondContact O-N 3.06Å; P650-G653 PolarHBondContact O-N 3.37Å; P650-Y670 HydrophobicContact CG-CD1 4.05Å
651E87.2Confident80.9Confident158 Ų15875.7 Ų75.774%0.73842%0.424SS*.THydrogen-bonded Turntrans-61138.1167.4-63.5-170.8172.300110G653 C699E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.48Å; E651-C699 WeakPolarHBondContact O-CB 3.43Å
652W87.6Confident81.6Confident140 Ų14072 Ų7253%0.5340%0.404SS..THydrogen-bonded Turntrans57.737.9-176.9-42.796.8000113.3P650 E673 Y676P650-W652 PolarHBondContact O-N 3.06Å; W652-E673 WeakPolarHBondContact O-CB 3.36Å; W652-E673 PolarHBondContact O-N 3.08Å; W652-Y676 HydrophobicContact CB-CD1 3.72Å; W652-Y676 HydrophobicContact CB-CD2 4.17Å; W652-Y676 HydrophobicContact CB-CE1 3.53Å; W652-Y676 HydrophobicContact CB-CE2 4.04Å; W652-Y676 HydrophobicContact CB-CG 4.05Å; W652-Y676 AromaticContact CD1-CE1 3.66Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 AromaticContact CD2-CZ 3.88Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE1 3.47Å; W652-Y676 VanDerWaalsContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE2 4.29Å; W652-Y676 AromaticContact CG-CZ 3.56Å
653G89Confident82.4Confident17 Ų1774.4 Ų74.418%0.17542%0.416CS..EExtended strand (participates in β ladder)trans-167.5-172.6173.800000113P650 E651 Q671P650-G653 PolarHBondContact O-N 3.37Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.48Å; G653-Q671 CarbonylContact C-O 3.49Å; G653-Q671 WeakPolarHBondContact CA-O 3.02Å
654W89.6Confident82.8Confident105 Ų10576.5 Ų76.540%0.39842%0.418SS..EExtended strand (participates in β ladder)trans-140.3159.7177.862.394.2000111.5Q671 E673W654-Q671 HydrophobicContact CD2-CB 4.16Å; W654-Q671 HydrophobicContact CH2-CB 4.29Å; W654-Q671 HydrophobicContact CZ2-CB 3.65Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.16Å; W654-Q671 PolarHBondContact O-N 3.37Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.12Å
655R90.9Very high82.8Confident64 Ų6478.9 Ų78.924%0.24244%0.443CS..EExtended strand (participates in β ladder)trans-113.1146.2168.267175.6179.4134.75.4109.9E646 L647 P649 T669 Y670E646-R655 IonicContact OE1-CZ 3.68Å; E646-R655 IonicContact OE1-NH1 3.09Å; E646-R655 IonicContact OE1-NH2 3.69Å; E646-R655 PolarHBondContact OE1-NH2 3.31Å; L647-R655 PolarHBondContact O-NE 3.23Å; L647-R655 VanDerWaalsContact O-NE 3.11Å; L647-R655 PolarHBondContact O-NH1 3.36Å; L647-R655 VanDerWaalsContact O-NH1 3.08Å; P649-R655 HydrophobicContact CB-CG 4.41Å; R655-T669 CarbonylContact C-O 3.53Å; R655-T669 WeakPolarHBondContact CA-O 3.39Å; R655-Y670 HydrophobicContact CB-CD1 3.96Å; R655-Y670 HydrophobicContact CB-CE1 3.8Å; R655-Y670 HydrophobicContact CB-CG 4.39Å
656T90.3Very high83Confident68 Ų6875 Ų7542%0.41742%0.418SS..EExtended strand (participates in β ladder)trans-120.4149.7165.953.30000109.9L668 T669T656-L668 CarbonylContact O-C 3.57Å; T656-L668 WeakPolarHBondContact O-CA 3.4Å; T656-T669 PolarHBondContact N-O 2.91Å; T656-T669 PolarHBondContact O-N 3.23Å
657A87.1Confident83.5Confident53 Ų5370.5 Ų70.544%0.43840%0.4SS..EExtended strand (participates in β ladder)trans-115.9144.7177.700000110.4H659 L668A657-H659 VanDerWaalsContact C-N 3.33Å; A657-H659 VanDerWaalsContact CB-O 3.27Å; A657-H659 WeakPolarHBondContact CB-O 3.39Å; A657-L668 HydrophobicContact CB-CD2 3.64Å
658S83.6Confident83.7Confident66 Ų6669.4 Ų69.446%0.46239%0.394SS..SBendtrans-75.3-20.9175.748.40000113.9V667S658-V667 PolarHBondContact N-O 2.82Å; S658-V667 WeakPolarHBondContact OG-CA 3.5Å; S658-V667 PolarHBondContact OG-N 3.12Å; S658-V667 PolarHBondContact OG-O 3.27Å
659H73.1Confident84.1Confident111 Ų11167.2 Ų67.251%0.51438%0.379SS..SBendtrans-135.4157.8174.9-69.581.1000109.2A657 T666A657-H659 VanDerWaalsContact C-N 3.33Å; A657-H659 VanDerWaalsContact CB-O 3.27Å; A657-H659 WeakPolarHBondContact CB-O 3.39Å; H659-T666 HydrophobicContact CB-CG2 4.45Å
660G71.3Confident84.4Confident83 Ų8363.8 Ų63.886%0.85636%0.356SS*.SBendtrans-67.8-41.5178.400000112.9
661D68.5Low84.5Confident118 Ų11867.1 Ų67.163%0.63137%0.371SS*.SBendtrans-93.6142.5174.7-60.9-62.2000111.4I663 T666D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.98Å; D661-T666 PolarHBondContact O-OG1 2.6Å
662L79.3Confident84.7Confident20 Ų2060.6 Ų60.611%0.10534%0.342CS..  trans-80.342.1-175.5-58.9179000113.4T643 C644 E646 T666 L668 W692T643-L662 CarbonylContact C-O 3.54Å; T643-L662 VanDerWaalsContact CA-O 3.31Å; T643-L662 WeakPolarHBondContact CA-O 3.36Å; C644-L662 PolarHBondContact N-O 2.92Å; E646-L662 HydrophobicContact CB-CD1 3.91Å; E646-L662 HydrophobicContact CG-CD1 4.04Å; L662-T666 HydrophobicContact CD2-CG2 4.4Å; L662-L668 HydrophobicContact CD2-CD2 3.97Å; L662-W692 HydrophobicContact CB-CZ2 4.37Å; L662-W692 HydrophobicContact CD1-CZ2 4.42Å; L662-W692 HydrophobicContact CD2-CH2 4.34Å; L662-W692 HydrophobicContact CD2-CZ2 4.47Å
663I79.9Confident84.7Confident69 Ų6957.9 Ų57.935%0.35434%0.335SS..BIsolated β-bridgetrans-68.8165.1-176.860.5172.9000113.9D642 T643 D661 G665 T666 C686D642-I663 WeakPolarHBondContact O-CA 3.26Å; T643-I663 HydrophobicContact CG2-CG2 4.03Å; D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.98Å; I663-G665 PolarHBondContact O-N 3.45Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.72Å; I663-T666 WeakPolarHBondContact O-CB 3.44Å; I663-T666 PolarHBondContact O-N 2.76Å; I663-T666 PolarHBondContact O-OG1 3.42Å; I663-C686 WeakPolarHBondContact O-CB 3.29Å; I663-C686 PolarHBondContact O-SG 2.84Å
664R77.5Confident84.5Confident98 Ų9862.2 Ų62.237%0.3736%0.361SS..THydrogen-bonded Turntrans-43.9131.5170.4-74.8178.4167.2141.7-3.8112.5D642 T666 W688 L690D642-R664 PolarHBondContact O-N 3.41Å; D642-R664 VanDerWaalsContact O-N 3.08Å; D642-R664 IonicContact OD1-NH1 3.32Å; R664-T666 PolarHBondContact O-N 2.75Å; R664-W688 VanDerWaalsContact CZ-O 3.3Å; R664-W688 PolarHBondContact NE-O 2.9Å; R664-W688 PolarHBondContact NH2-O 3.46Å; R664-L690 HydrophobicContact CG-CD2 3.59Å
665G78.5Confident84Confident55 Ų5557.6 Ų57.657%0.56735%0.346SS*.THydrogen-bonded Turntrans81.4-8.8-176.900000114.7I663 V667 C686I663-G665 PolarHBondContact O-N 3.45Å; G665-V667 PolarHBondContact O-N 2.98Å; G665-C686 PolarHBondContact N-O 3.02Å
666T83.4Confident83.8Confident1 Ų157 Ų571%0.00634%0.344CS..PPolyproline II helixtrans-60.8126.8172.9-67.60000110.2H659 D661 L662 I663 R664 C686H659-T666 HydrophobicContact CB-CG2 4.45Å; D661-T666 PolarHBondContact O-OG1 2.6Å; L662-T666 HydrophobicContact CD2-CG2 4.4Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.72Å; I663-T666 WeakPolarHBondContact O-CB 3.44Å; I663-T666 PolarHBondContact O-N 2.76Å; I663-T666 PolarHBondContact O-OG1 3.42Å; R664-T666 PolarHBondContact O-N 2.75Å; T666-C686 PolarHBondContact O-N 3.19Å
667V90.3Very high83.7Confident49 Ų4958.1 Ų58.130%0.29734%0.344SS..EExtended strand (participates in β ladder)trans-94129172.8-170.10000108.9S658 G665 I683 L684 T685S658-V667 PolarHBondContact N-O 2.82Å; S658-V667 WeakPolarHBondContact OG-CA 3.5Å; S658-V667 PolarHBondContact OG-N 3.12Å; S658-V667 PolarHBondContact OG-O 3.27Å; G665-V667 PolarHBondContact O-N 2.98Å; V667-I683 HydrophobicContact CG1-CG2 3.47Å; V667-I683 VanDerWaalsContact CG1-CG2 3.47Å; V667-L684 WeakPolarHBondContact CA-O 3.38Å; V667-T685 HydrophobicContact CG1-CG2 4.3Å; V667-T685 HydrophobicContact CG2-CG2 4.14Å
668L90.9Very high83.8Confident0 Ų058 Ų580%034%0.336CS..EExtended strand (participates in β ladder)trans-101.4140.4164.3-67.4179.6000109.4L647 T656 A657 L662 Y670 I683 L684 W692L647-L668 HydrophobicContact CD1-CD1 4.32Å; T656-L668 CarbonylContact O-C 3.57Å; T656-L668 WeakPolarHBondContact O-CA 3.4Å; A657-L668 HydrophobicContact CB-CD2 3.64Å; L662-L668 HydrophobicContact CD2-CD2 3.97Å; L668-Y670 HydrophobicContact CB-CE2 3.93Å; L668-Y670 HydrophobicContact CD1-CE2 4.25Å; L668-I683 WeakPolarHBondContact O-CA 3.06Å; L668-L684 HydrophobicContact CB-CB 4.35Å; L668-L684 PolarHBondContact N-O 2.95Å; L668-L684 PolarHBondContact O-N 3.44Å; L668-W692 HydrophobicContact CB-CZ3 4.44Å; L668-W692 HydrophobicContact CD1-CE3 4.26Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.74Å; L668-W692 HydrophobicContact CD1-CZ3 3.72Å; L668-W692 HydrophobicContact CD2-CH2 4.48Å; L668-W692 HydrophobicContact CG-CH2 3.61Å; L668-W692 HydrophobicContact CG-CZ2 4.38Å; L668-W692 HydrophobicContact CG-CZ3 3.73Å
669T91.9Very high84.2Confident42 Ų4258.9 Ų58.926%0.25834%0.335SS..EExtended strand (participates in β ladder)trans-123.1129.9173-55.70000109.9R655 T656 D682 I683R655-T669 CarbonylContact C-O 3.53Å; R655-T669 WeakPolarHBondContact CA-O 3.39Å; T656-T669 PolarHBondContact N-O 2.91Å; T656-T669 PolarHBondContact O-N 3.23Å; T669-D682 CarbonylContact C-O 3.4Å; T669-D682 WeakPolarHBondContact CA-O 3.4Å; T669-I683 HydrophobicContact CG2-CG1 4.49Å
670Y92.6Very high84.9Confident6 Ų656.6 Ų56.62%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-108.4138.2-177.3-73.5-99.7000110.9L647 P650 R655 L668 D682 L684 P697L647-Y670 WeakPolarHBondContact CB-OH 3.18Å; P650-Y670 HydrophobicContact CG-CD1 4.05Å; R655-Y670 HydrophobicContact CB-CD1 3.96Å; R655-Y670 HydrophobicContact CB-CE1 3.8Å; R655-Y670 HydrophobicContact CB-CG 4.39Å; L668-Y670 HydrophobicContact CB-CE2 3.93Å; L668-Y670 HydrophobicContact CD1-CE2 4.25Å; Y670-D682 PolarHBondContact N-O 3.37Å; Y670-L684 HydrophobicContact CD2-CD1 4.2Å; Y670-L684 HydrophobicContact CE2-CB 4.45Å; Y670-L684 HydrophobicContact CE2-CD1 4.13Å; Y670-L684 HydrophobicContact CE2-CD2 4.15Å; Y670-L684 HydrophobicContact CE2-CG 4.48Å; Y670-P697 HydrophobicContact CD1-CG 3.69Å; Y670-P697 HydrophobicContact CD2-CG 3.98Å; Y670-P697 HydrophobicContact CE1-CG 4.37Å; Y670-P697 HydrophobicContact CG-CG 3.48Å; Y670-P697 VanDerWaalsContact CG-CG 3.48Å
671Q91.2Very high85.7Confident86 Ų8655 Ų5540%0.40232%0.317SS..EExtended strand (participates in β ladder)trans-141.1140-177.5-65.3173.917.900109.6G653 W654G653-Q671 CarbonylContact C-O 3.49Å; G653-Q671 WeakPolarHBondContact CA-O 3.02Å; W654-Q671 HydrophobicContact CD2-CB 4.16Å; W654-Q671 HydrophobicContact CH2-CB 4.29Å; W654-Q671 HydrophobicContact CZ2-CB 3.65Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.16Å; W654-Q671 PolarHBondContact O-N 3.37Å
672C91.6Very high86.7Confident22 Ų2253.7 Ų53.715%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-99.8157.2179.8-60.80000112.3C699C672-C699 VanDerWaalsContact CA-SG 3.52Å; C672-C699 HydrophobicContact CB-CB 3.79Å; C672-C699 WeakPolarHBondContact CB-SG 3.31Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.26Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.03Å
673E88.9Confident87.3Confident82 Ų8256.5 Ų56.538%0.38333%0.325SS..PPolyproline II helixtrans-67152.3175-72.3-172.6155.800112.8W652 W654 G675 Y676W652-E673 WeakPolarHBondContact O-CB 3.36Å; W652-E673 PolarHBondContact O-N 3.08Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.12Å; E673-G675 PolarHBondContact O-N 3.43Å; E673-G675 VanDerWaalsContact O-N 3.07Å; E673-Y676 HydrophobicContact CB-CD2 4.42Å; E673-Y676 PolarHBondContact O-N 2.81Å
674P84.6Confident87.8Confident108 Ų10853.2 Ų53.270%0.70131%0.308SS*.THydrogen-bonded Turntrans-56.4116.8-179.3-25.735.2000112.5G753P674-G753 VanDerWaalsContact O-CA 3.29Å; P674-G753 WeakPolarHBondContact O-CA 3.44Å
675G78.6Confident88.4Confident8 Ų851 Ų518%0.08231%0.305CS..THydrogen-bonded Turntrans110.5-5.2-175.100000114.4E673 I702E673-G675 PolarHBondContact O-N 3.43Å; E673-G675 VanDerWaalsContact O-N 3.07Å; G675-I702 WeakPolarHBondContact O-CB 3.27Å; G675-I702 PolarHBondContact O-N 3.19Å
676Y87Confident88.8Confident53 Ų5348.6 Ų48.621%0.20828%0.28CS..EExtended strand (participates in β ladder)trans-113.7148.9173.5-66-111.1000110.7W652 E673 C699 Q700 K701W652-Y676 HydrophobicContact CB-CD1 3.72Å; W652-Y676 HydrophobicContact CB-CD2 4.17Å; W652-Y676 HydrophobicContact CB-CE1 3.53Å; W652-Y676 HydrophobicContact CB-CE2 4.04Å; W652-Y676 HydrophobicContact CB-CG 4.05Å; W652-Y676 AromaticContact CD1-CE1 3.66Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 AromaticContact CD2-CZ 3.88Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE1 3.47Å; W652-Y676 VanDerWaalsContact CG-CE1 3.47Å; W652-Y676 HydrophobicContact CG-CE2 4.29Å; W652-Y676 AromaticContact CG-CZ 3.56Å; E673-Y676 HydrophobicContact CB-CD2 4.42Å; E673-Y676 PolarHBondContact O-N 2.81Å; Y676-C699 HydrophobicContact CD1-CB 4.26Å; Y676-Q700 CarbonylContact C-O 3.57Å; Y676-Q700 WeakPolarHBondContact CA-O 3.45Å; Y676-K701 HydrophobicContact CD1-CB 4Å; Y676-K701 HydrophobicContact CE1-CB 3.78Å; Y676-K701 HydrophobicContact CE1-CG 4.46Å
677E88.3Confident88.7Confident91 Ų9152.6 Ų52.643%0.42530%0.298SS..EExtended strand (participates in β ladder)trans-110.6146.2173.161.8-172.1173.100110.8C699 Q700 I702E677-C699 CarbonylContact O-C 3.47Å; E677-C699 WeakPolarHBondContact O-CA 3.47Å; E677-Q700 HydrophobicContact CG-CB 4.47Å; E677-Q700 PolarHBondContact N-O 2.63Å; E677-Q700 PolarHBondContact O-N 3.18Å; E677-I702 HydrophobicContact CB-CD1 4.04Å; E677-I702 HydrophobicContact CB-CG1 3.82Å; E677-I702 HydrophobicContact CG-CG1 3.91Å
678L89.9Confident87.7Confident50 Ų5060.3 Ų60.326%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-88.3120.7-176.9-172.9121.9000110.9D682 P697L678-D682 HydrophobicContact CD2-CB 3.94Å; L678-P697 HydrophobicContact CD1-CB 3.97Å; L678-P697 HydrophobicContact CD1-CG 3.88Å; L678-P697 HydrophobicContact CD2-CB 3.91Å; L678-P697 HydrophobicContact CD2-CG 4.35Å; L678-P697 HydrophobicContact CG-CB 3.86Å; L678-P697 HydrophobicContact CG-CG 4.31Å
679L90.7Very high87.1Confident84 Ų8465.5 Ų65.544%0.4435%0.35SS..EExtended strand (participates in β ladder)trans-100.9107.8173.7-58.8-177.1000110.1P697 A698 Q700L679-P697 VanDerWaalsContact O-CA 3.26Å; L679-P697 WeakPolarHBondContact O-CA 3.35Å; L679-P697 VanDerWaalsContact O-CB 3.31Å; L679-P697 WeakPolarHBondContact O-CB 3.38Å; L679-A698 PolarHBondContact N-O 2.82Å; L679-A698 PolarHBondContact O-N 2.03Å; L679-Q700 HydrophobicContact CD1-CB 3.81Å; L679-Q700 HydrophobicContact CG-CB 4.2Å
680G88Confident86.3Confident63 Ų6365.4 Ų65.465%0.64935%0.348SS*.SBendtrans133.1-156178.700000111.7
681S89.2Confident85.9Confident49 Ų4967 Ų6734%0.34336%0.359SS..  trans-84.3127.5171.4-620000110.1I683 L684 P697S681-I683 VanDerWaalsContact C-N 3.26Å; S681-L684 WeakPolarHBondContact O-CD1 3.05Å; S681-P697 WeakPolarHBondContact O-CG 3.25Å
682D89.1Confident85.7Confident92 Ų9264.2 Ų64.249%0.49235%0.345SS..SBendtrans-69.1-26.5171.764-34.2000112.2T669 Y670 L678T669-D682 CarbonylContact C-O 3.4Å; T669-D682 WeakPolarHBondContact CA-O 3.4Å; Y670-D682 PolarHBondContact N-O 3.37Å; L678-D682 HydrophobicContact CD2-CB 3.94Å
683I91.8Very high85.6Confident79 Ų7965.8 Ų65.841%0.40536%0.356SS..EExtended strand (participates in β ladder)trans-122.3125.1-179.9-62.1172.5000110.5V667 L668 T669 S681 T685V667-I683 HydrophobicContact CG1-CG2 3.47Å; V667-I683 VanDerWaalsContact CG1-CG2 3.47Å; L668-I683 WeakPolarHBondContact O-CA 3.06Å; T669-I683 HydrophobicContact CG2-CG1 4.49Å; S681-I683 VanDerWaalsContact C-N 3.26Å; I683-T685 HydrophobicContact CG2-CG2 4.41Å
684L90.3Very high85.6Confident0 Ų063.3 Ų63.30%035%0.35CS..EExtended strand (participates in β ladder)trans-116.5140.1172.9-86.768.1000109.5L647 V667 L668 Y670 S681 W692 A694L647-L684 HydrophobicContact CD1-CD2 3.54Å; V667-L684 WeakPolarHBondContact CA-O 3.38Å; L668-L684 HydrophobicContact CB-CB 4.35Å; L668-L684 PolarHBondContact N-O 2.95Å; L668-L684 PolarHBondContact O-N 3.44Å; Y670-L684 HydrophobicContact CD2-CD1 4.2Å; Y670-L684 HydrophobicContact CE2-CB 4.45Å; Y670-L684 HydrophobicContact CE2-CD1 4.13Å; Y670-L684 HydrophobicContact CE2-CD2 4.15Å; Y670-L684 HydrophobicContact CE2-CG 4.48Å; S681-L684 WeakPolarHBondContact O-CD1 3.05Å; L684-W692 HydrophobicContact CB-CE3 4.04Å; L684-W692 HydrophobicContact CD2-CB 4.38Å; L684-A694 HydrophobicContact CD1-CB 4.39Å; L684-A694 WeakPolarHBondContact CD2-O 3.21Å; L684-A694 HydrophobicContact CG-CB 4.25Å
685T89.6Confident85.7Confident52 Ų5262 Ų6232%0.31935%0.348SS..EExtended strand (participates in β ladder)trans-122.7140.3178.462.10000112.1V667 I683 Q687 W692 S693V667-T685 HydrophobicContact CG1-CG2 4.3Å; V667-T685 HydrophobicContact CG2-CG2 4.14Å; I683-T685 HydrophobicContact CG2-CG2 4.41Å; T685-Q687 PolarHBondContact O-N 3.38Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; T685-S693 PolarHBondContact N-OG 2.9Å; T685-S693 PolarHBondContact O-N 3.25Å; T685-S693 WeakPolarHBondContact OG1-CB 3.45Å
686C87.1Confident86.1Confident4 Ų464.8 Ų64.83%0.02737%0.365CS..BIsolated β-bridgetrans-78.6113.8175.8178.50000110C644 I663 G665 T666 W692C644-C686 HydrophobicContact CB-CB 3.87Å; C644-C686 WeakPolarHBondContact CB-SG 3.44Å; C644-C686 WeakPolarHBondContact SG-CA 3.49Å; C644-C686 WeakPolarHBondContact SG-CB 3.06Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 3.49Å; I663-C686 WeakPolarHBondContact O-CB 3.29Å; I663-C686 PolarHBondContact O-SG 2.84Å; G665-C686 PolarHBondContact N-O 3.02Å; T666-C686 PolarHBondContact O-N 3.19Å; C686-W692 HydrophobicContact CB-CE3 4.23Å; C686-W692 HydrophobicContact CB-CH2 3.95Å; C686-W692 HydrophobicContact CB-CZ3 3.78Å
687Q81.3Confident86.4Confident84 Ų8462.7 Ų62.739%0.39336%0.358SS..  trans-85.6170.2-171.1-59.5-167.7106.200112.8T685 D689 L690 S691T685-Q687 PolarHBondContact O-N 3.38Å; Q687-D689 VanDerWaalsContact CB-OD1 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.3Å; Q687-D689 PolarHBondContact O-N 2.85Å; Q687-L690 PolarHBondContact O-N 2.88Å; Q687-S691 WeakPolarHBondContact CB-O 3.38Å; Q687-S691 PolarHBondContact N-O 3.3Å; Q687-S691 PolarHBondContact NE2-OG 3.24Å
688W68.9Low86.5Confident211 Ų21161.1 Ų61.180%0.79936%0.36SS*.THydrogen-bonded Turntrans-62.3-27.7-178.3-78104.3000114.1R664 L690R664-W688 VanDerWaalsContact CZ-O 3.3Å; R664-W688 PolarHBondContact NE-O 2.9Å; R664-W688 PolarHBondContact NH2-O 3.46Å; W688-L690 VanDerWaalsContact C-N 3.26Å; W688-L690 PolarHBondContact O-N 2.8Å
689D77.8Confident86.6Confident110 Ų11059.7 Ų59.759%0.58835%0.354SS*.THydrogen-bonded Turntrans-83.13.8175.966.4-10.5000113.9Q687 S691Q687-D689 VanDerWaalsContact CB-OD1 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.3Å; Q687-D689 PolarHBondContact O-N 2.85Å; D689-S691 VanDerWaalsContact C-N 3.26Å; D689-S691 PolarHBondContact O-N 3.42Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.38Å; D689-S691 PolarHBondContact OD1-N 2.95Å; D689-S691 PolarHBondContact OD1-OG 2.93Å; D689-S691 PolarHBondContact OD2-OG 2.93Å; D689-S691 VanDerWaalsContact OD2-OG 3.08Å
690L76.1Confident86.5Confident40 Ų4060.8 Ų60.821%0.20936%0.357CS..SBendtrans66.820.5-174.1-48.6179.7000114.4D642 C644 P645 R664 Q687 W688D642-L690 WeakPolarHBondContact O-CD2 3.35Å; C644-L690 PolarHBondContact SG-O 2.98Å; C644-L690 VanDerWaalsContact SG-O 3.37Å; P645-L690 VanDerWaalsContact CD-O 3.27Å; P645-L690 WeakPolarHBondContact CD-O 3.25Å; R664-L690 HydrophobicContact CG-CD2 3.59Å; Q687-L690 PolarHBondContact O-N 2.88Å; W688-L690 VanDerWaalsContact C-N 3.26Å; W688-L690 PolarHBondContact O-N 2.8Å
691S83.8Confident86.4Confident38 Ų3861.9 Ų61.927%0.26634%0.344SS..  trans-92.1164.4166.874.80000112.3C644 Q687 D689C644-S691 PolarHBondContact SG-O 2.83Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; Q687-S691 WeakPolarHBondContact CB-O 3.38Å; Q687-S691 PolarHBondContact N-O 3.3Å; Q687-S691 PolarHBondContact NE2-OG 3.24Å; D689-S691 VanDerWaalsContact C-N 3.26Å; D689-S691 PolarHBondContact O-N 3.42Å; D689-S691 VanDerWaalsContact OD1-CB 3.31Å; D689-S691 WeakPolarHBondContact OD1-CB 3.38Å; D689-S691 PolarHBondContact OD1-N 2.95Å; D689-S691 PolarHBondContact OD1-OG 2.93Å; D689-S691 PolarHBondContact OD2-OG 2.93Å; D689-S691 VanDerWaalsContact OD2-OG 3.08Å
692W87.9Confident86.2Confident29 Ų2961 Ų6111%0.1134%0.335CS..BIsolated β-bridgetrans-89.3144.1166.8-68.2103.1000111C644 P645 L647 L662 L668 L684 T685 C686 A694C644-W692 HydrophobicContact CB-CD2 4.25Å; C644-W692 HydrophobicContact CB-CH2 4.27Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å; P645-W692 PolarHBondContact O-NE1 2.96Å; L647-W692 HydrophobicContact CD1-CB 4.47Å; L647-W692 HydrophobicContact CD1-CD2 3.99Å; L647-W692 HydrophobicContact CD1-CG 3.77Å; L647-W692 HydrophobicContact CG-CG 4.43Å; L662-W692 HydrophobicContact CB-CZ2 4.37Å; L662-W692 HydrophobicContact CD1-CZ2 4.42Å; L662-W692 HydrophobicContact CD2-CH2 4.34Å; L662-W692 HydrophobicContact CD2-CZ2 4.47Å; L668-W692 HydrophobicContact CB-CZ3 4.44Å; L668-W692 HydrophobicContact CD1-CE3 4.26Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.74Å; L668-W692 HydrophobicContact CD1-CZ3 3.72Å; L668-W692 HydrophobicContact CD2-CH2 4.48Å; L668-W692 HydrophobicContact CG-CH2 3.61Å; L668-W692 HydrophobicContact CG-CZ2 4.38Å; L668-W692 HydrophobicContact CG-CZ3 3.73Å; L684-W692 HydrophobicContact CB-CE3 4.04Å; L684-W692 HydrophobicContact CD2-CB 4.38Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; C686-W692 HydrophobicContact CB-CE3 4.23Å; C686-W692 HydrophobicContact CB-CH2 3.95Å; C686-W692 HydrophobicContact CB-CZ3 3.78Å; W692-A694 PolarHBondContact O-N 2.91Å; W692-A694 VanDerWaalsContact O-N 3.12Å
693S89.8Confident86Confident54 Ų5461.6 Ų61.638%0.37834%0.336SS..SBendtrans-59.6-20.3179.663.40000115.4T685T685-S693 PolarHBondContact N-OG 2.9Å; T685-S693 PolarHBondContact O-N 3.25Å; T685-S693 WeakPolarHBondContact OG1-CB 3.45Å
694A87.3Confident85.8Confident31 Ų3161 Ų6126%0.25634%0.336SS..SBendtrans-153.7167.8178.400000110.7L684 W692L684-A694 HydrophobicContact CD1-CB 4.39Å; L684-A694 WeakPolarHBondContact CD2-O 3.21Å; L684-A694 HydrophobicContact CG-CB 4.25Å; W692-A694 PolarHBondContact O-N 2.91Å; W692-A694 VanDerWaalsContact O-N 3.12Å
695A87.2Confident85.6Confident79 Ų7961.2 Ų61.265%0.65334%0.337SS*.PPolyproline II helixtrans-69.6151.9167.400000111
696P87.9Confident85.4Confident67 Ų6762.8 Ų62.844%0.43536%0.356SS..PPolyproline II helixtrans-61.4138.9177.125.1-34.1000111.6L647L647-P696 HydrophobicContact CD1-CB 4.41Å; L647-P696 HydrophobicContact CD2-CG 4.43Å
697P91.8Very high85.5Confident10 Ų1066.8 Ų66.87%0.06538%0.377CS..PPolyproline II helixtrans-77.5163.6179.434-37.7000112.6Y670 L678 L679 S681Y670-P697 HydrophobicContact CD1-CG 3.69Å; Y670-P697 HydrophobicContact CD2-CG 3.98Å; Y670-P697 HydrophobicContact CE1-CG 4.37Å; Y670-P697 HydrophobicContact CG-CG 3.48Å; Y670-P697 VanDerWaalsContact CG-CG 3.48Å; L678-P697 HydrophobicContact CD1-CB 3.97Å; L678-P697 HydrophobicContact CD1-CG 3.88Å; L678-P697 HydrophobicContact CD2-CB 3.91Å; L678-P697 HydrophobicContact CD2-CG 4.35Å; L678-P697 HydrophobicContact CG-CB 3.86Å; L678-P697 HydrophobicContact CG-CG 4.31Å; L679-P697 VanDerWaalsContact O-CA 3.26Å; L679-P697 WeakPolarHBondContact O-CA 3.35Å; L679-P697 VanDerWaalsContact O-CB 3.31Å; L679-P697 WeakPolarHBondContact O-CB 3.38Å; S681-P697 WeakPolarHBondContact O-CG 3.25Å
698A91.3Very high85.6Confident58 Ų5863.6 Ų63.648%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-121.5149.317500000111.6L679L679-A698 PolarHBondContact N-O 2.82Å; L679-A698 PolarHBondContact O-N 2.03Å
699C92.5Very high86.4Confident19 Ų1954.6 Ų54.613%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-98.2115.1177.5-64.30000110.9E651 C672 Y676 E677E651-C699 WeakPolarHBondContact O-CB 3.43Å; C672-C699 VanDerWaalsContact CA-SG 3.52Å; C672-C699 HydrophobicContact CB-CB 3.79Å; C672-C699 WeakPolarHBondContact CB-SG 3.31Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.26Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.03Å; Y676-C699 HydrophobicContact CD1-CB 4.26Å; E677-C699 CarbonylContact O-C 3.47Å; E677-C699 WeakPolarHBondContact O-CA 3.47Å
700Q88.6Confident86.8Confident108 Ų10856.4 Ų56.451%0.50534%0.341SS..EExtended strand (participates in β ladder)trans-97.8138.5174.9-177.5168.314.600110.8Y676 E677 L679 I702Y676-Q700 CarbonylContact C-O 3.57Å; Y676-Q700 WeakPolarHBondContact CA-O 3.45Å; E677-Q700 HydrophobicContact CG-CB 4.47Å; E677-Q700 PolarHBondContact N-O 2.63Å; E677-Q700 PolarHBondContact O-N 3.18Å; L679-Q700 HydrophobicContact CD1-CB 3.81Å; L679-Q700 HydrophobicContact CG-CB 4.2Å; Q700-I702 PolarHBondContact O-N 3.01Å
701K84.8Confident87.4Confident86 Ų8655.4 Ų55.437%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-68128.9175.8-172.5167.2-176.2163.40111.1Y676 M703Y676-K701 HydrophobicContact CD1-CB 4Å; Y676-K701 HydrophobicContact CE1-CB 3.78Å; Y676-K701 HydrophobicContact CE1-CG 4.46Å; K701-M703 HydrophobicContact CD-SD 4.23Å; K701-M703 HydrophobicContact CG-SD 4.13Å; K701-M703 PolarHBondContact O-N 3.33Å
702I86.2Confident87.5Confident31 Ų3157.3 Ų57.316%0.15935%0.354CS..PPolyproline II helixtrans-73.4116.5178.7-60.7164.3000108.9G675 E677 Q700 T754 P755G675-I702 WeakPolarHBondContact O-CB 3.27Å; G675-I702 PolarHBondContact O-N 3.19Å; E677-I702 HydrophobicContact CB-CD1 4.04Å; E677-I702 HydrophobicContact CB-CG1 3.82Å; E677-I702 HydrophobicContact CG-CG1 3.91Å; Q700-I702 PolarHBondContact O-N 3.01Å; I702-T754 HydrophobicContact CD1-CG2 3.77Å; I702-P755 VanDerWaalsContact O-CD 3.25Å; I702-P755 WeakPolarHBondContact O-CD 3.27Å; I702-P755 WeakPolarHBondContact O-CG 3.38Å
703M83.4Confident87.5Confident104 Ų10459.4 Ų59.451%0.51237%0.368SS..  trans-112.412.6-175.7-65.2-61.7-67.800113.8K701 P724 V725K701-M703 HydrophobicContact CD-SD 4.23Å; K701-M703 HydrophobicContact CG-SD 4.13Å; K701-M703 PolarHBondContact O-N 3.33Å; M703-P724 WeakPolarHBondContact O-CA 3.49Å; M703-V725 PolarHBondContact O-N 3.44Å
704T87.4Confident87.3Confident66 Ų6657.9 Ų57.941%0.40536%0.36SS..BIsolated β-bridgetrans-123.3153.6-179.652.10000111.5G722 F723T704-G722 WeakPolarHBondContact CB-O 3.36Å; T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.39Å; T704-F723 CarbonylContact C-O 3.59Å; T704-F723 WeakPolarHBondContact CA-O 3.49Å
705C86.7Confident87.4Confident4 Ų460.5 Ų60.53%0.02737%0.367CS..PPolyproline II helixtrans-92.2144.4167.4-72.40000110.6F723 C747 K756 W757C705-F723 HydrophobicContact CB-CB 4.48Å; C705-F723 PolarHBondContact N-O 3.07Å; C705-C747 HydrophobicContact CB-CB 3.88Å; C705-C747 WeakPolarHBondContact CB-SG 3.31Å; C705-C747 VanDerWaalsContact SG-CA 3.55Å; C705-C747 WeakPolarHBondContact SG-CB 3.37Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 3.1Å; C705-K756 VanDerWaalsContact SG-C 3.54Å; C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.61Å
706A86Confident87.5Confident85 Ų8560.2 Ų60.270%0.70235%0.349SS*.PPolyproline II helixtrans-60.9148.7170.800000111.5P708 W757A706-P708 WeakPolarHBondContact O-CD 3.39Å; A706-W757 PolarHBondContact O-NE1 3.33Å
707D87.9Confident87.6Confident89 Ų8960.4 Ų60.448%0.47635%0.349SS..PPolyproline II helixtrans-56.9120-178.5-173-9.5000111.2G709 R716 F723D707-G709 PolarHBondContact O-N 2.84Å; D707-G709 PolarHBondContact OD1-N 3.43Å; D707-R716 VanDerWaalsContact CG-NH1 3.35Å; D707-R716 IonicContact OD1-CZ 2.67Å; D707-R716 IonicContact OD1-NH1 3.79Å; D707-R716 PolarHBondContact OD1-NH1 3.36Å; D707-R716 IonicContact OD2-CZ 2.91Å; D707-R716 IonicContact OD2-NH1 3.61Å; D707-R716 PolarHBondContact OD2-NH1 2.94Å; D707-R716 IonicContact OD2-NH2 2.89Å; D707-R716 PolarHBondContact OD2-NH2 3.28Å; D707-F723 HydrophobicContact CB-CD2 4.38Å; D707-F723 HydrophobicContact CB-CE2 3.67Å; D707-F723 HydrophobicContact CB-CZ 4.39Å
708P85.3Confident87.4Confident16 Ų1662.1 Ų62.110%0.10436%0.364CS..  trans-72.1-6.417730.4-34.5000113.4A706 V729 L745 W757 V761A706-P708 WeakPolarHBondContact O-CD 3.39Å; P708-V729 HydrophobicContact CG-CG2 4.11Å; P708-L745 HydrophobicContact CB-CD1 4.1Å; P708-W757 HydrophobicContact CG-CD2 4.41Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; P708-V761 HydrophobicContact CB-CG2 4.29Å; P708-V761 WeakPolarHBondContact O-CG2 3.37Å
709G85.1Confident87.3Confident22 Ų2261.6 Ų61.623%0.22736%0.357CS..  trans77.3-167.8172.900000114.8D707 R716 Y731D707-G709 PolarHBondContact O-N 2.84Å; D707-G709 PolarHBondContact OD1-N 3.43Å; G709-R716 WeakPolarHBondContact O-CD 3.06Å; G709-R716 PolarHBondContact O-NH1 3.48Å; G709-Y731 PolarHBondContact O-OH 2.99Å
710E86.4Confident86.9Confident148 Ų14864.4 Ų64.469%0.69237%0.37SS*.  trans-112153.2-173.9-72.7178.7-16800112.3R716E710-R716 HydrophobicContact CG-CG 4.09Å; E710-R716 IonicContact OE1-CZ 2.98Å; E710-R716 VanDerWaalsContact OE1-CZ 3.27Å; E710-R716 IonicContact OE1-NE 2.64Å; E710-R716 PolarHBondContact OE1-NE 3.14Å; E710-R716 IonicContact OE1-NH2 3.63Å; E710-R716 PolarHBondContact OE1-NH2 2.9Å
711I88.6Confident86.2Confident19 Ų1964.3 Ų64.310%0.09739%0.388CS..  trans-109.9134.9-176.864.1175.1000110.8G714 Y731 V761 P762I711-G714 PolarHBondContact O-N 3.28Å; I711-Y731 HydrophobicContact CB-CD1 4.46Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.85Å; I711-Y731 HydrophobicContact CG1-CE1 4.39Å; I711-Y731 HydrophobicContact CG2-CD1 3.83Å; I711-Y731 HydrophobicContact CG2-CE1 3.76Å; I711-V761 HydrophobicContact CG2-CG1 3.55Å; I711-P762 VanDerWaalsContact CG2-O 3.27Å; I711-P762 WeakPolarHBondContact CG2-O 3.29Å
712A85.9Confident85.8Confident79 Ų7962.4 Ų62.465%0.65339%0.393SS*.THydrogen-bonded Turntrans-61.4139.117200000110.3G714 C764A712-G714 VanDerWaalsContact C-N 3.25Å; A712-G714 PolarHBondContact O-N 2.84Å; A712-C764 WeakPolarHBondContact O-CB 3.4Å
713N87.3Confident85.9Confident73 Ų7362.2 Ų62.239%0.3939%0.391SS..THydrogen-bonded Turntrans58.329.8-179.6-52.5-46.3000115.1L734 Y737 C764N713-L734 WeakPolarHBondContact O-CB 3.37Å; N713-L734 WeakPolarHBondContact O-CG 3.41Å; N713-L734 PolarHBondContact O-N 2.85Å; N713-Y737 HydrophobicContact CB-CD1 3.7Å; N713-Y737 HydrophobicContact CB-CD2 4.09Å; N713-Y737 HydrophobicContact CB-CE1 3.55Å; N713-Y737 HydrophobicContact CB-CE2 3.97Å; N713-Y737 HydrophobicContact CB-CG 3.97Å; N713-Y737 VanDerWaalsContact CG-CE1 3.5Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.34Å; N713-C764 HydrophobicContact CB-CB 4.16Å
714G86.9Confident86.1Confident21 Ų2159.8 Ų59.822%0.21638%0.383CS..EExtended strand (participates in β ladder)trans-149.3-176.5171.300000112.8I711 A712 R732I711-G714 PolarHBondContact O-N 3.28Å; A712-G714 VanDerWaalsContact C-N 3.25Å; A712-G714 PolarHBondContact O-N 2.84Å; G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.05Å
715H88.5Confident86Confident86 Ų8659.1 Ų59.140%0.39838%0.379SS..EExtended strand (participates in β ladder)trans-127.8153.4169.960.7-78.3000110.4R732H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.35Å; H715-R732 PolarHBondContact N-O 3.45Å; H715-R732 PolarHBondContact ND1-O 3.45Å; H715-R732 PolarHBondContact O-N 2.03Å
716R89.4Confident85.9Confident73 Ų7361.5 Ų61.528%0.27540%0.403SS..EExtended strand (participates in β ladder)trans-107.1155.9172.966.3175.5174.5169.5-5.5111.2D707 G709 E710 V729 Q730 Y731D707-R716 VanDerWaalsContact CG-NH1 3.35Å; D707-R716 IonicContact OD1-CZ 2.67Å; D707-R716 IonicContact OD1-NH1 3.79Å; D707-R716 PolarHBondContact OD1-NH1 3.36Å; D707-R716 IonicContact OD2-CZ 2.91Å; D707-R716 IonicContact OD2-NH1 3.61Å; D707-R716 PolarHBondContact OD2-NH1 2.94Å; D707-R716 IonicContact OD2-NH2 2.89Å; D707-R716 PolarHBondContact OD2-NH2 3.28Å; G709-R716 WeakPolarHBondContact O-CD 3.06Å; G709-R716 PolarHBondContact O-NH1 3.48Å; E710-R716 HydrophobicContact CG-CG 4.09Å; E710-R716 IonicContact OE1-CZ 2.98Å; E710-R716 VanDerWaalsContact OE1-CZ 3.27Å; E710-R716 IonicContact OE1-NE 2.64Å; E710-R716 PolarHBondContact OE1-NE 3.14Å; E710-R716 IonicContact OE1-NH2 3.63Å; E710-R716 PolarHBondContact OE1-NH2 2.9Å; R716-V729 HydrophobicContact CB-CG1 4.23Å; R716-Q730 CarbonylContact C-O 3.55Å; R716-Q730 WeakPolarHBondContact CA-O 3.28Å; R716-Y731 HydrophobicContact CB-CD1 3.8Å; R716-Y731 HydrophobicContact CB-CE1 3.61Å
717T89.8Confident86.1Confident72 Ų7257.5 Ų57.544%0.44237%0.371SS..EExtended strand (participates in β ladder)trans-144.3112.1171.3-52.10000107.9Q730T717-Q730 PolarHBondContact N-O 3.43Å; T717-Q730 PolarHBondContact O-N 3.01Å
718A88.1Confident86.2Confident45 Ų4557.1 Ų57.137%0.37237%0.365SS..EExtended strand (participates in β ladder)trans-93.6150.8177.900000110.8F723 V729A718-F723 HydrophobicContact CB-CE1 3.88Å; A718-V729 HydrophobicContact CB-CG2 4.07Å
719S87.8Confident86.5Confident48 Ų4856.3 Ų56.334%0.33636%0.361SS..SBendtrans-71.4-43.7172.954.70000112.6S727 H728S719-S727 WeakPolarHBondContact OG-CA 3.01Å; S719-H728 PolarHBondContact N-O 2.76Å; S719-H728 PolarHBondContact OG-N 2.94Å; S719-H728 PolarHBondContact OG-O 2.82Å
720D85.1Confident86.8Confident77 Ų7758.1 Ų58.141%0.41236%0.363SS..SBendtrans-135.9148.9-169-43.2-83.1000111.4P724 S727D720-P724 HydrophobicContact CB-CG 4.47Å; D720-S727 WeakPolarHBondContact CB-OG 3.49Å; D720-S727 WeakPolarHBondContact OD2-CB 3.02Å; D720-S727 PolarHBondContact OD2-OG 3.43Å
721A74.1Confident87.1Confident107 Ų10751.2 Ų51.288%0.88433%0.331SS*.THydrogen-bonded Turntrans-78.7127170.800000110.3
722G75.3Confident87.1Confident45 Ų4556.4 Ų56.446%0.46435%0.349SS..THydrogen-bonded Turntrans93.70.5178.700000115.8T704T704-G722 WeakPolarHBondContact CB-O 3.36Å; T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.39Å
723F88.9Confident87.3Confident28 Ų2854 Ų5412%0.12333%0.327CS..  trans4952170.3-44.6-71.9000116.6T704 C705 D707 A718 V729 W757T704-F723 CarbonylContact C-O 3.59Å; T704-F723 WeakPolarHBondContact CA-O 3.49Å; C705-F723 HydrophobicContact CB-CB 4.48Å; C705-F723 PolarHBondContact N-O 3.07Å; D707-F723 HydrophobicContact CB-CD2 4.38Å; D707-F723 HydrophobicContact CB-CE2 3.67Å; D707-F723 HydrophobicContact CB-CZ 4.39Å; A718-F723 HydrophobicContact CB-CE1 3.88Å; F723-V729 HydrophobicContact CD1-CG2 3.97Å; F723-V729 HydrophobicContact CE1-CG2 3.71Å; F723-W757 HydrophobicContact CB-CH2 3.97Å; F723-W757 HydrophobicContact CB-CZ2 3.78Å; F723-W757 AromaticContact CD1-CH2 3.77Å; F723-W757 HydrophobicContact CD1-CH2 3.77Å; F723-W757 AromaticContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CH2 4.12Å; F723-W757 AromaticContact CG-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CZ2 3.84Å
724P87.7Confident87.3Confident53 Ų5354.4 Ų54.434%0.34433%0.329SS..BIsolated β-bridgetrans-57.5161.9169.526.1-35.1000113M703 D720 G726 S727M703-P724 WeakPolarHBondContact O-CA 3.49Å; D720-P724 HydrophobicContact CB-CG 4.47Å; P724-G726 PolarHBondContact O-N 2.84Å; P724-S727 WeakPolarHBondContact CD-OG 3.35Å; P724-S727 WeakPolarHBondContact CG-OG 3.09Å; P724-S727 VanDerWaalsContact O-CB 3.25Å; P724-S727 WeakPolarHBondContact O-CB 3.45Å; P724-S727 PolarHBondContact O-N 2.96Å; P724-S727 PolarHBondContact O-OG 3.43Å
725V86.3Confident87Confident52 Ų5259.4 Ų59.432%0.31536%0.357SS..THydrogen-bonded Turntrans-52.5128.2170.5170.30000110.3M703 P755M703-V725 PolarHBondContact O-N 3.44Å; V725-P755 HydrophobicContact CG2-CB 3.94Å; V725-P755 HydrophobicContact CG2-CG 3.96Å
726G84.5Confident86.3Confident53 Ų5357.4 Ų57.455%0.54636%0.36SS..THydrogen-bonded Turntrans99.3-19.6-173.200000114.9P724 C747P724-G726 PolarHBondContact O-N 2.84Å; G726-C747 PolarHBondContact N-O 3.47Å
727S89.3Confident86Confident2 Ų257.2 Ų57.21%0.01436%0.359CS..  trans-62.9151.1175-67.50000112.5S719 D720 P724 C747S719-S727 WeakPolarHBondContact OG-CA 3.01Å; D720-S727 WeakPolarHBondContact CB-OG 3.49Å; D720-S727 WeakPolarHBondContact OD2-CB 3.02Å; D720-S727 PolarHBondContact OD2-OG 3.43Å; P724-S727 WeakPolarHBondContact CD-OG 3.35Å; P724-S727 WeakPolarHBondContact CG-OG 3.09Å; P724-S727 VanDerWaalsContact O-CB 3.25Å; P724-S727 WeakPolarHBondContact O-CB 3.45Å; P724-S727 PolarHBondContact O-N 2.96Å; P724-S727 PolarHBondContact O-OG 3.43Å; S727-C747 PolarHBondContact O-N 3.32Å
728H90.9Very high85.6Confident80 Ų8056 Ų5637%0.3735%0.354SS..EExtended strand (participates in β ladder)trans-131.8141.917954.6-85.4000112.6S719 M744 L745 T746S719-H728 PolarHBondContact N-O 2.76Å; S719-H728 PolarHBondContact OG-N 2.94Å; S719-H728 PolarHBondContact OG-O 2.82Å; H728-M744 HydrophobicContact CB-CG 4.16Å; H728-M744 HydrophobicContact CB-SD 4.12Å; H728-L745 CarbonylContact C-O 3.55Å; H728-L745 WeakPolarHBondContact CA-O 3.18Å; H728-T746 HydrophobicContact CB-CG2 4.01Å
729V91.1Very high85.5Confident0 Ų056.3 Ų56.30%035%0.349CS..EExtended strand (participates in β ladder)trans-119.1113.9177.5-175.10000108.6P708 R716 A718 F723 Y731 M744 L745 W757P708-V729 HydrophobicContact CG-CG2 4.11Å; R716-V729 HydrophobicContact CB-CG1 4.23Å; A718-V729 HydrophobicContact CB-CG2 4.07Å; F723-V729 HydrophobicContact CD1-CG2 3.97Å; F723-V729 HydrophobicContact CE1-CG2 3.71Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.27Å; V729-Y731 HydrophobicContact CG1-CE1 4.4Å; V729-Y731 HydrophobicContact CG1-CE2 3.66Å; V729-M744 CarbonylContact O-C 3.52Å; V729-M744 VanDerWaalsContact O-CA 3.32Å; V729-M744 WeakPolarHBondContact O-CA 3.1Å; V729-L745 PolarHBondContact N-O 2.97Å; V729-L745 PolarHBondContact O-N 2.9Å; V729-W757 HydrophobicContact CG2-CH2 3.73Å; V729-W757 HydrophobicContact CG2-CZ2 4.39Å; V729-W757 HydrophobicContact CG2-CZ3 4.05Å
730Q91.8Very high85.5Confident59 Ų5959.5 Ų59.528%0.27636%0.359SS..EExtended strand (participates in β ladder)trans-91.3137.7173.3-173.5170.580.200110.5R716 T717 R732 A743 M744R716-Q730 CarbonylContact C-O 3.55Å; R716-Q730 WeakPolarHBondContact CA-O 3.28Å; T717-Q730 PolarHBondContact N-O 3.43Å; T717-Q730 PolarHBondContact O-N 3.01Å; Q730-R732 HydrophobicContact CG-CG 4.48Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.25Å; Q730-A743 WeakPolarHBondContact CA-O 3.45Å; Q730-A743 WeakPolarHBondContact CG-O 3.32Å; Q730-M744 HydrophobicContact CB-CE 4.2Å
731Y91.6Very high85.5Confident4 Ų458.8 Ų58.82%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-115.2141.4177.4-71.7-81000110.7G709 I711 R716 V729 L739 A743 L745 P762G709-Y731 PolarHBondContact O-OH 2.99Å; I711-Y731 HydrophobicContact CB-CD1 4.46Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.85Å; I711-Y731 HydrophobicContact CG1-CE1 4.39Å; I711-Y731 HydrophobicContact CG2-CD1 3.83Å; I711-Y731 HydrophobicContact CG2-CE1 3.76Å; R716-Y731 HydrophobicContact CB-CD1 3.8Å; R716-Y731 HydrophobicContact CB-CE1 3.61Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.27Å; V729-Y731 HydrophobicContact CG1-CE1 4.4Å; V729-Y731 HydrophobicContact CG1-CE2 3.66Å; Y731-L739 WeakPolarHBondContact O-CD1 3.36Å; Y731-A743 PolarHBondContact N-O 2.8Å; Y731-L745 HydrophobicContact CE2-CD1 3.87Å; Y731-L745 HydrophobicContact CE2-CG 4.12Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.7Å; Y731-P762 HydrophobicContact CE2-CG 4.41Å; Y731-P762 HydrophobicContact CG-CG 3.72Å
732R90Very high86.2Confident128 Ų12854.9 Ų54.948%0.48334%0.337SS..EExtended strand (participates in β ladder)trans-143126.1-178.8-63.3179.5-172.2170.72.6110.4G714 H715 Q730G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.05Å; H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.35Å; H715-R732 PolarHBondContact N-O 3.45Å; H715-R732 PolarHBondContact ND1-O 3.45Å; H715-R732 PolarHBondContact O-N 2.03Å; Q730-R732 HydrophobicContact CG-CG 4.48Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.25Å
733C89.1Confident86.8Confident27 Ų2755.2 Ų55.218%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-75158.5179.3-61.10000113.1L739 C764C733-L739 VanDerWaalsContact SG-CA 3.54Å; C733-L739 VanDerWaalsContact SG-CB 3.58Å; C733-C764 WeakPolarHBondContact CA-SG 3.32Å; C733-C764 HydrophobicContact CB-CB 3.82Å; C733-C764 WeakPolarHBondContact CB-SG 3.32Å; C733-C764 WeakPolarHBondContact SG-CA 3.28Å; C733-C764 WeakPolarHBondContact SG-CB 3.05Å; C733-C764 CovalentContact SG-SG 2.04Å; C733-C764 PolarHBondContact SG-SG 3.06Å
734L86.7Confident86.8Confident83 Ų8357.7 Ų57.744%0.43535%0.349SS..PPolyproline II helixtrans-71.8157.7170.4-65.2177.5000111N713 G736 Y737N713-L734 WeakPolarHBondContact O-CB 3.37Å; N713-L734 WeakPolarHBondContact O-CG 3.41Å; N713-L734 PolarHBondContact O-N 2.85Å; L734-G736 PolarHBondContact O-N 3.2Å; L734-Y737 HydrophobicContact CB-CD2 4.34Å; L734-Y737 WeakPolarHBondContact O-CB 3.37Å; L734-Y737 PolarHBondContact O-N 3.07Å
735P81.9Confident87Confident125 Ų12555.2 Ų55.281%0.81233%0.332SS*.THydrogen-bonded Turntrans-52.7136.7176.1-26.835.7000112.7Y737P735-Y737 VanDerWaalsContact C-N 3.35Å
736G73Confident87.2Confident44 Ų4454.4 Ų54.445%0.45433%0.327SS..THydrogen-bonded Turntrans90.3-11.8-173.600000114.9L734 K767L734-G736 PolarHBondContact O-N 3.2Å; G736-K767 PolarHBondContact O-N 2.83Å
737Y82.4Confident87.5Confident69 Ų6951.9 Ų51.927%0.27130%0.302SS..EExtended strand (participates in β ladder)trans-112141.8177.9-63.3-101.8000111.8N713 L734 P735 C764 A765 L766N713-Y737 HydrophobicContact CB-CD1 3.7Å; N713-Y737 HydrophobicContact CB-CD2 4.09Å; N713-Y737 HydrophobicContact CB-CE1 3.55Å; N713-Y737 HydrophobicContact CB-CE2 3.97Å; N713-Y737 HydrophobicContact CB-CG 3.97Å; N713-Y737 VanDerWaalsContact CG-CE1 3.5Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.34Å; L734-Y737 HydrophobicContact CB-CD2 4.34Å; L734-Y737 WeakPolarHBondContact O-CB 3.37Å; L734-Y737 PolarHBondContact O-N 3.07Å; P735-Y737 VanDerWaalsContact C-N 3.35Å; Y737-C764 HydrophobicContact CD1-CB 4.29Å; Y737-C764 HydrophobicContact CG-CB 4.47Å; Y737-A765 CarbonylContact C-O 3.34Å; Y737-A765 WeakPolarHBondContact CA-O 3.44Å; Y737-L766 HydrophobicContact CD1-CD2 3.96Å; Y737-L766 HydrophobicContact CD1-CG 4.01Å; Y737-L766 HydrophobicContact CD2-CD2 4.24Å; Y737-L766 HydrophobicContact CE1-CD2 3.51Å; Y737-L766 HydrophobicContact CE1-CG 3.51Å; Y737-L766 HydrophobicContact CE2-CD2 3.81Å; Y737-L766 HydrophobicContact CG-CD2 4.29Å; Y737-L766 VanDerWaalsContact CZ-CD2 3.42Å
738S82.1Confident87.5Confident46 Ų4658.7 Ų58.732%0.32233%0.328SS..EExtended strand (participates in β ladder)trans-107.6145.6171.244.80000111.5C764 A765S738-C764 WeakPolarHBondContact O-CA 3.41Å; S738-A765 PolarHBondContact N-O 2.98Å; S738-A765 PolarHBondContact O-N 2.98Å
739L86.3Confident87.1Confident52 Ų5258.4 Ų58.427%0.27234%0.335SS..EExtended strand (participates in β ladder)trans-84.3125.9-178-168.1144.5000111.1Y731 C733 G741 A743 P762 K763Y731-L739 WeakPolarHBondContact O-CD1 3.36Å; C733-L739 VanDerWaalsContact SG-CA 3.54Å; C733-L739 VanDerWaalsContact SG-CB 3.58Å; L739-G741 VanDerWaalsContact CD2-O 3.28Å; L739-G741 WeakPolarHBondContact CD2-O 3.37Å; L739-A743 HydrophobicContact CD1-CB 4.49Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; L739-P762 HydrophobicContact CD1-CB 4.3Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.74Å; L739-P762 HydrophobicContact CD2-CG 4.42Å; L739-P762 HydrophobicContact CG-CB 4Å; L739-K763 CarbonylContact C-O 3.58Å; L739-K763 WeakPolarHBondContact CA-O 3.44Å
740E87.7Confident86.5Confident116 Ų11663.7 Ų63.754%0.54236%0.355SS..EExtended strand (participates in β ladder)trans-107.8114.3174.7-63-176.8159.700109.1P762 K763 A765E740-P762 CarbonylContact O-C 3.49Å; E740-P762 WeakPolarHBondContact O-CA 3.43Å; E740-P762 WeakPolarHBondContact O-CB 3.43Å; E740-K763 PolarHBondContact N-O 3.41Å; E740-K763 PolarHBondContact O-N 2.9Å; E740-A765 HydrophobicContact CG-CB 4.1Å; E740-A765 WeakPolarHBondContact OE1-CB 3.27Å
741G85.7Confident85.3Confident62 Ų6268 Ų6864%0.63938%0.38SS*.SBendtrans115.2-164.6-176.700000113.2L739 A743L739-G741 VanDerWaalsContact CD2-O 3.28Å; L739-G741 WeakPolarHBondContact CD2-O 3.37Å; G741-A743 PolarHBondContact O-N 2.88Å
742A88.1Confident84Confident24 Ų2473.4 Ų73.420%0.19841%0.413CS..  trans-72.9122.617900000111.2M744 L745 D759 P762A742-M744 PolarHBondContact O-N 2.91Å; A742-L745 HydrophobicContact CB-CD2 3.98Å; A742-D759 HydrophobicContact CB-CB 3.88Å; A742-P762 WeakPolarHBondContact O-CG 3.31Å
743A87.2Confident83.1Confident52 Ų5267.7 Ų67.743%0.4340%0.395SS..SBendtrans-72-12.5177.300000113.5Q730 Y731 L739 G741Q730-A743 WeakPolarHBondContact CA-O 3.45Å; Q730-A743 WeakPolarHBondContact CG-O 3.32Å; Y731-A743 PolarHBondContact N-O 2.8Å; L739-A743 HydrophobicContact CD1-CB 4.49Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; G741-A743 PolarHBondContact O-N 2.88Å
744M90.7Very high82.7Confident81 Ų8169.6 Ų69.640%0.39941%0.405SS..EExtended strand (participates in β ladder)trans-142.7132.7175.8-180178-76.800109.2H728 V729 Q730 A742H728-M744 HydrophobicContact CB-CG 4.16Å; H728-M744 HydrophobicContact CB-SD 4.12Å; V729-M744 CarbonylContact O-C 3.52Å; V729-M744 VanDerWaalsContact O-CA 3.32Å; V729-M744 WeakPolarHBondContact O-CA 3.1Å; Q730-M744 HydrophobicContact CB-CE 4.2Å; A742-M744 PolarHBondContact O-N 2.91Å
745L91.3Very high82.7Confident1 Ų166.4 Ų66.41%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-107.8131171-55.6-178.4000109.5P708 H728 V729 Y731 A742 W757 S758 D759P708-L745 HydrophobicContact CB-CD1 4.1Å; H728-L745 CarbonylContact C-O 3.55Å; H728-L745 WeakPolarHBondContact CA-O 3.18Å; V729-L745 PolarHBondContact N-O 2.97Å; V729-L745 PolarHBondContact O-N 2.9Å; Y731-L745 HydrophobicContact CE2-CD1 3.87Å; Y731-L745 HydrophobicContact CE2-CG 4.12Å; A742-L745 HydrophobicContact CB-CD2 3.98Å; L745-W757 HydrophobicContact CB-CD2 4.36Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.37Å; L745-S758 WeakPolarHBondContact CA-OG 3.18Å; L745-D759 HydrophobicContact CD2-CB 3.52Å
746T90.6Very high83Confident34 Ų3467.2 Ų67.221%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-104.4141170.440.10000111.8H728 Y748 W757 S758H728-T746 HydrophobicContact CB-CG2 4.01Å; T746-Y748 WeakPolarHBondContact OG1-CE2 3.46Å; T746-Y748 PolarHBondContact OG1-OH 2.8Å; T746-W757 CarbonylContact O-C 3.59Å; T746-W757 WeakPolarHBondContact O-CA 3.37Å; T746-S758 PolarHBondContact N-OG 2.86Å; T746-S758 PolarHBondContact O-N 3.06Å; T746-S758 PolarHBondContact O-OG 2.79Å; T746-S758 WeakPolarHBondContact OG1-CB 3.33Å; T746-S758 PolarHBondContact OG1-OG 2.98Å
747C91.3Very high83.8Confident1 Ų166.6 Ų66.61%0.00736%0.364CS..EExtended strand (participates in β ladder)trans-87116.1174.3178.70000110.3C705 G726 S727 W757C705-C747 HydrophobicContact CB-CB 3.88Å; C705-C747 WeakPolarHBondContact CB-SG 3.31Å; C705-C747 VanDerWaalsContact SG-CA 3.55Å; C705-C747 WeakPolarHBondContact SG-CB 3.37Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 3.1Å; G726-C747 PolarHBondContact N-O 3.47Å; S727-C747 PolarHBondContact O-N 3.32Å; C747-W757 HydrophobicContact CB-CE3 4.03Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.43Å; C747-W757 HydrophobicContact CB-CZ3 3.7Å
748Y87.4Confident84.1Confident145 Ų14565.7 Ų65.757%0.56937%0.368SS*.EExtended strand (participates in β ladder)trans-106.2139.2177.4-69.2-65.8000111.6T746 P755 K756T746-Y748 WeakPolarHBondContact OG1-CE2 3.46Å; T746-Y748 PolarHBondContact OG1-OH 2.8Å; Y748-P755 CarbonylContact O-C 3.52Å; Y748-P755 VanDerWaalsContact O-CA 3.31Å; Y748-P755 WeakPolarHBondContact O-CA 3.37Å; Y748-K756 PolarHBondContact N-O 3.1Å; Y748-K756 PolarHBondContact O-N 2.87Å
749S82.9Confident84.4Confident74 Ų7468.2 Ų68.252%0.51738%0.378SS..  trans-65.2153.8163.946.20000110.8
750R78.8Confident84.5Confident110 Ų11076 Ų7642%0.41540%0.404SS..  trans-129.2143.7167.2-160.2171.175.1-118.76.9108.5T752 T754R750-T752 VanDerWaalsContact C-N 3.32Å; R750-T752 PolarHBondContact NE-O 2.91Å; R750-T752 PolarHBondContact NH2-O 2.93Å; R750-T754 PolarHBondContact NH1-O 2.88Å
751D67.3Low84.6Confident151 Ų15173.5 Ų73.581%0.80740%0.396SS*.SBendtrans-70.7-34-177.7-51.6-63.5000111.4
752T62.9Low84.8Confident116 Ų11670.8 Ų70.871%0.71237%0.368SS*.SBendtrans-116.487.4179.848.60000111.9R750R750-T752 VanDerWaalsContact C-N 3.32Å; R750-T752 PolarHBondContact NE-O 2.91Å; R750-T752 PolarHBondContact NH2-O 2.93Å
753G71.4Confident84.9Confident9 Ų976.6 Ų76.69%0.09339%0.388CS..SBendtrans107.9-173.1176.500000115.3P674P674-G753 VanDerWaalsContact O-CA 3.29Å; P674-G753 WeakPolarHBondContact O-CA 3.44Å
754T81.6Confident84.9Confident66 Ų6674.9 Ų74.941%0.40537%0.373SS..  trans-62.6146.6-170.444.60000114.2I702 R750I702-T754 HydrophobicContact CD1-CG2 3.77Å; R750-T754 PolarHBondContact NH1-O 2.88Å
755P85.9Confident84.6Confident16 Ų1672.3 Ų72.310%0.10436%0.364CS..  trans-53.9150.3168.1-24.934.9000112.2I702 V725 Y748I702-P755 VanDerWaalsContact O-CD 3.25Å; I702-P755 WeakPolarHBondContact O-CD 3.27Å; I702-P755 WeakPolarHBondContact O-CG 3.38Å; V725-P755 HydrophobicContact CG2-CB 3.94Å; V725-P755 HydrophobicContact CG2-CG 3.96Å; Y748-P755 CarbonylContact O-C 3.52Å; Y748-P755 VanDerWaalsContact O-CA 3.31Å; Y748-P755 WeakPolarHBondContact O-CA 3.37Å
756K88.2Confident83.8Confident143 Ų14375.8 Ų75.862%0.62238%0.382SS*.EExtended strand (participates in β ladder)trans-143.9143.7-174.1-164.9-165.9166.8-165.10111.7C705 Y748C705-K756 VanDerWaalsContact SG-C 3.54Å; Y748-K756 PolarHBondContact N-O 3.1Å; Y748-K756 PolarHBondContact O-N 2.87Å
757W90.3Very high82.7Confident30 Ų3081 Ų8111%0.11440%0.402CS..EExtended strand (participates in β ladder)trans-60.5137.9165.7-62.5107.7000111.7C705 A706 P708 F723 V729 L745 T746 C747 D759C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.61Å; A706-W757 PolarHBondContact O-NE1 3.33Å; P708-W757 HydrophobicContact CG-CD2 4.41Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CB-CH2 3.97Å; F723-W757 HydrophobicContact CB-CZ2 3.78Å; F723-W757 AromaticContact CD1-CH2 3.77Å; F723-W757 HydrophobicContact CD1-CH2 3.77Å; F723-W757 AromaticContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CD1-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CH2 4.12Å; F723-W757 AromaticContact CG-CZ2 3.84Å; F723-W757 HydrophobicContact CG-CZ2 3.84Å; V729-W757 HydrophobicContact CG2-CH2 3.73Å; V729-W757 HydrophobicContact CG2-CZ2 4.39Å; V729-W757 HydrophobicContact CG2-CZ3 4.05Å; L745-W757 HydrophobicContact CB-CD2 4.36Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.37Å; T746-W757 CarbonylContact O-C 3.59Å; T746-W757 WeakPolarHBondContact O-CA 3.37Å; C747-W757 HydrophobicContact CB-CE3 4.03Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.43Å; C747-W757 HydrophobicContact CB-CZ3 3.7Å; W757-D759 PolarHBondContact O-N 2.8Å
758S89.1Confident81.7Confident50 Ų5085 Ų8535%0.3542%0.418SS..SBendtrans-40.1-47.5168.5440000114L745 T746L745-S758 WeakPolarHBondContact CA-OG 3.18Å; T746-S758 PolarHBondContact N-OG 2.86Å; T746-S758 PolarHBondContact O-N 3.06Å; T746-S758 PolarHBondContact O-OG 2.79Å; T746-S758 WeakPolarHBondContact OG1-CB 3.33Å; T746-S758 PolarHBondContact OG1-OG 2.98Å
759D88.3Confident81.1Confident99 Ų9983.6 Ų83.653%0.52942%0.416SS..SBendtrans-142.1176.9-168.3-128.2-46000112.7A742 L745 W757A742-D759 HydrophobicContact CB-CB 3.88Å; L745-D759 HydrophobicContact CD2-CB 3.52Å; W757-D759 PolarHBondContact O-N 2.8Å
760R88.4Confident80.9Confident217 Ų21782.3 Ų82.382%0.81941%0.406SS*.PPolyproline II helixtrans-82.7152.4173.1-61.2-174.3-173.5-168.22.3111.4
761V89.4Confident81.1Confident62 Ų6277.2 Ų77.238%0.37639%0.388SS..PPolyproline II helixtrans-55.1126.8177.2-166.90000110.6P708 I711P708-V761 HydrophobicContact CB-CG2 4.29Å; P708-V761 WeakPolarHBondContact O-CG2 3.37Å; I711-V761 HydrophobicContact CG2-CG1 3.55Å
762P89.9Confident81.9Confident6 Ų675.8 Ų75.84%0.03938%0.379CS..PPolyproline II helixtrans-73.5170.9-177.832-37.9000112.5I711 Y731 L739 E740 A742I711-P762 VanDerWaalsContact CG2-O 3.27Å; I711-P762 WeakPolarHBondContact CG2-O 3.29Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.7Å; Y731-P762 HydrophobicContact CE2-CG 4.41Å; Y731-P762 HydrophobicContact CG-CG 3.72Å; L739-P762 HydrophobicContact CD1-CB 4.3Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.74Å; L739-P762 HydrophobicContact CD2-CG 4.42Å; L739-P762 HydrophobicContact CG-CB 4Å; E740-P762 CarbonylContact O-C 3.49Å; E740-P762 WeakPolarHBondContact O-CA 3.43Å; E740-P762 WeakPolarHBondContact O-CB 3.43Å; A742-P762 WeakPolarHBondContact O-CG 3.31Å
763K89.1Confident82.9Confident146 Ų14672 Ų7264%0.63535%0.354SS*.EExtended strand (participates in β ladder)trans-123.9153.3176.8-64.1-178.5-178.7178.90111.4L739 E740L739-K763 CarbonylContact C-O 3.58Å; L739-K763 WeakPolarHBondContact CA-O 3.44Å; E740-K763 PolarHBondContact N-O 3.41Å; E740-K763 PolarHBondContact O-N 2.9Å
764C88.9Confident83.5Confident16 Ų1673.5 Ų73.511%0.10836%0.363CS..EExtended strand (participates in β ladder)trans-106.8106.8172.4-68.40000109.9A712 N713 C733 Y737 S738A712-C764 WeakPolarHBondContact O-CB 3.4Å; N713-C764 HydrophobicContact CB-CB 4.16Å; C733-C764 WeakPolarHBondContact CA-SG 3.32Å; C733-C764 HydrophobicContact CB-CB 3.82Å; C733-C764 WeakPolarHBondContact CB-SG 3.32Å; C733-C764 WeakPolarHBondContact SG-CA 3.28Å; C733-C764 WeakPolarHBondContact SG-CB 3.05Å; C733-C764 CovalentContact SG-SG 2.04Å; C733-C764 PolarHBondContact SG-SG 3.06Å; Y737-C764 HydrophobicContact CD1-CB 4.29Å; Y737-C764 HydrophobicContact CG-CB 4.47Å; S738-C764 WeakPolarHBondContact O-CA 3.41Å
765A82.6Confident83.4Confident26 Ų2671.7 Ų71.722%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-96.2144.7177.900000111.1Y737 S738 E740Y737-A765 CarbonylContact C-O 3.34Å; Y737-A765 WeakPolarHBondContact CA-O 3.44Å; S738-A765 PolarHBondContact N-O 2.98Å; S738-A765 PolarHBondContact O-N 2.98Å; E740-A765 HydrophobicContact CG-CB 4.1Å; E740-A765 WeakPolarHBondContact OE1-CB 3.27Å
766L75.6Confident83.3Confident74 Ų7475 Ų7539%0.38738%0.378SS..EExtended strand (participates in β ladder)trans-65133.5174.6-82.3170000110.6Y737 Y768Y737-L766 HydrophobicContact CD1-CD2 3.96Å; Y737-L766 HydrophobicContact CD1-CG 4.01Å; Y737-L766 HydrophobicContact CD2-CD2 4.24Å; Y737-L766 HydrophobicContact CE1-CD2 3.51Å; Y737-L766 HydrophobicContact CE1-CG 3.51Å; Y737-L766 HydrophobicContact CE2-CD2 3.81Å; Y737-L766 HydrophobicContact CG-CD2 4.29Å; Y737-L766 VanDerWaalsContact CZ-CD2 3.42Å; L766-Y768 HydrophobicContact CB-CE2 4.46Å
767K67.3Low83Confident144 Ų14469 Ų6963%0.62635%0.353SS*.  trans-107.5105.8174.8-169.4173.5-177.7178.20110.7G736G736-K767 PolarHBondContact O-N 2.83Å
768Y70.3Confident82.5Confident86 Ų8675.4 Ų75.434%0.33738%0.384SS..PPolyproline II helixtrans-73.6146.9174-56.8-70000111.5L766 A791 P815L766-Y768 HydrophobicContact CB-CE2 4.46Å; Y768-A791 HydrophobicContact CD2-CB 4.11Å; Y768-A791 HydrophobicContact CG-CB 4.14Å; Y768-P815 HydrophobicContact CD1-CB 3.68Å; Y768-P815 HydrophobicContact CD2-CB 4Å; Y768-P815 HydrophobicContact CE1-CB 3.55Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 3.91Å
769E74.4Confident82Confident114 Ų11476.5 Ų76.553%0.53339%0.386SS..PPolyproline II helixtrans-79.6137.8167.9-65.1-177.9141.100109.1S819E769-S819 WeakPolarHBondContact O-CB 3.43Å; E769-S819 PolarHBondContact O-OG 3.49Å
770P79.3Confident81.8Confident47 Ų4772.1 Ų72.131%0.30536%0.364SS..PPolyproline II helixtrans-76.8145.5-175.731.8-36000112.1L772 H788 Y789P770-L772 PolarHBondContact O-N 2.96Å; P770-H788 HydrophobicContact CB-CB 4.05Å; P770-H788 HydrophobicContact CG-CB 4.03Å; P770-Y789 CarbonylContact C-O 3.57Å; P770-Y789 WeakPolarHBondContact CA-O 3.46Å; P770-Y789 WeakPolarHBondContact CB-O 3.2Å
771C82.7Confident81.7Confident4 Ų466.7 Ų66.73%0.02734%0.344CS..EExtended strand (participates in β ladder)trans-67.3131.3175.1-59.10000110.9H788 Y789 C813 S819 W821C771-H788 CarbonylContact O-C 3.42Å; C771-H788 WeakPolarHBondContact O-CA 3.21Å; C771-Y789 PolarHBondContact N-O 2.87Å; C771-Y789 PolarHBondContact O-N 2.61Å; C771-C813 HydrophobicContact CB-CB 3.79Å; C771-C813 WeakPolarHBondContact CB-SG 3.45Å; C771-C813 PolarHBondContact N-SG 3.45Å; C771-C813 WeakPolarHBondContact SG-CA 3.02Å; C771-C813 WeakPolarHBondContact SG-CB 3.39Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 3.29Å; C771-S819 VanDerWaalsContact SG-C 3.59Å; C771-S819 VanDerWaalsContact SG-CB 3.58Å; C771-W821 HydrophobicContact CB-CD2 4.28Å; C771-W821 HydrophobicContact CB-CZ2 3.74Å
772L84.1Confident81.6Confident120 Ų12065 Ų6563%0.62833%0.332SS*.EExtended strand (participates in β ladder)trans-65151.2168.8-76.1162.9000111P770 W821P770-L772 PolarHBondContact O-N 2.96Å; L772-W821 PolarHBondContact O-NE1 3.48Å
773N84.1Confident81.3Confident36 Ų3668.2 Ų68.219%0.19335%0.352CS..PPolyproline II helixtrans-59.4125.1174.2-165.4-65.6000110.9G775 Q782 K786 H787 Y789N773-G775 VanDerWaalsContact C-N 3.26Å; N773-G775 PolarHBondContact O-N 2.64Å; N773-G775 PolarHBondContact OD1-N 3.48Å; N773-Q782 PolarHBondContact ND2-NE2 2.8Å; N773-K786 WeakPolarHBondContact CB-O 3.22Å; N773-K786 PolarHBondContact ND2-O 3.04Å; N773-H787 PolarHBondContact N-O 3.17Å; N773-Y789 HydrophobicContact CB-CE2 4.16Å; N773-Y789 PolarHBondContact ND2-OH 3.34Å; N773-Y789 VanDerWaalsContact ND2-OH 3.1Å
774P83.4Confident81Confident41 Ų4166 Ų6627%0.26635%0.347SS..  trans-81.2-1.7-176.230.5-29.9000114.1L795 F797 I811 W821P774-L795 HydrophobicContact CG-CD2 4.09Å; P774-F797 HydrophobicContact CG-CZ 4.36Å; P774-I811 HydrophobicContact CG-CD1 3.69Å; P774-W821 HydrophobicContact CG-CD2 4.36Å; P774-W821 HydrophobicContact CG-CG 4.46Å; P774-W821 HydrophobicContact CG-CZ2 4.35Å
775G80.4Confident80.7Confident29 Ų2972.4 Ų72.430%0.29937%0.37SS..  trans91.3166.3-178.200000113.6N773 F797N773-G775 VanDerWaalsContact C-N 3.26Å; N773-G775 PolarHBondContact O-N 2.64Å; N773-G775 PolarHBondContact OD1-N 3.48Å; G775-F797 WeakPolarHBondContact O-CE1 3.02Å
776V83.3Confident80.6Confident86 Ų8674.4 Ų74.452%0.52137%0.373SS..PPolyproline II helixtrans-98.6142.6173.3-67.60000110.3Q782V776-Q782 HydrophobicContact CG1-CB 4Å; V776-Q782 HydrophobicContact CG1-CG 3.7Å
777P82.9Confident80.8Confident15 Ų1576.7 Ų76.710%0.09738%0.382CS..PPolyproline II helixtrans-74.9153.2177.831.2-35.1000112.4N779 G780 F797 P826P777-N779 PolarHBondContact O-N 3.25Å; P777-G780 PolarHBondContact O-N 3.45Å; P777-F797 HydrophobicContact CG-CD1 4.41Å; P777-P826 WeakPolarHBondContact CB-O 3.35Å; P777-P826 WeakPolarHBondContact CG-O 3.25Å
778E78.7Confident81.6Confident166 Ų16674.9 Ų74.978%0.77638%0.375SS*.THydrogen-bonded Turntrans-61.7132.4174.1-166.9169.6-155.500110.1G780 C828E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.31Å; E778-C828 WeakPolarHBondContact O-CB 3.34Å
779N79.6Confident82.3Confident73 Ų7370.9 Ų70.939%0.3936%0.36SS..THydrogen-bonded Turntrans60.428.8-170-52.7-57.8000115.6P777 Y800 F803 C828P777-N779 PolarHBondContact O-N 3.25Å; N779-Y800 VanDerWaalsContact O-CD2 3.22Å; N779-Y800 WeakPolarHBondContact O-CD2 3.48Å; N779-Y800 PolarHBondContact O-N 3.45Å; N779-F803 HydrophobicContact CB-CD1 4.07Å; N779-F803 HydrophobicContact CB-CD2 4.28Å; N779-F803 HydrophobicContact CB-CE1 3.88Å; N779-F803 HydrophobicContact CB-CE2 4.11Å; N779-F803 HydrophobicContact CB-CG 4.28Å; N779-F803 HydrophobicContact CB-CZ 3.91Å; N779-C828 HydrophobicContact CB-CB 4.34Å
780G83.1Confident82.6Confident7 Ų770.7 Ų70.77%0.07236%0.359CS..EExtended strand (participates in β ladder)trans-139.8-173.5169.400000115.2P777 E778 F798 Y800P777-G780 PolarHBondContact O-N 3.45Å; E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.31Å; G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.48Å; G780-Y800 WeakPolarHBondContact O-CE2 3.5Å; G780-Y800 PolarHBondContact O-OH 3.12Å
781Y85.8Confident82.5Confident102 Ų10269.9 Ų69.940%0.436%0.356SS..EExtended strand (participates in β ladder)trans-148.7168.9176.367.2-83.7000111.7F797 F798 Y800Y781-F797 WeakPolarHBondContact O-CA 3.32Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.49Å; Y781-F798 HydrophobicContact CD2-CD2 4.19Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.03Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.36Å; Y781-F798 HydrophobicContact CE2-CG 4.15Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.92Å; Y781-F798 PolarHBondContact N-O 3.18Å; Y781-F798 PolarHBondContact O-N 2.78Å; Y781-Y800 HydrophobicContact CD1-CD1 4.16Å; Y781-Y800 AromaticContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CE1-CD1 4.4Å; Y781-Y800 HydrophobicContact CE1-CE1 4.2Å
782Q87.8Confident82.4Confident26 Ų2672.7 Ų72.712%0.12139%0.386CS..EExtended strand (participates in β ladder)trans-120.8155.5179.871.5-171.1-1.800112N773 V776 L784 L795 R796 F797N773-Q782 PolarHBondContact ND2-NE2 2.8Å; V776-Q782 HydrophobicContact CG1-CB 4Å; V776-Q782 HydrophobicContact CG1-CG 3.7Å; Q782-L784 PolarHBondContact O-N 2.99Å; Q782-L795 HydrophobicContact CB-CD1 4.08Å; Q782-L795 HydrophobicContact CG-CD1 4.33Å; Q782-R796 CarbonylContact C-O 3.49Å; Q782-R796 VanDerWaalsContact CA-O 3.32Å; Q782-R796 WeakPolarHBondContact CA-O 3.4Å; Q782-F797 HydrophobicContact CB-CD1 3.75Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å
783T84.4Confident82.4Confident74 Ų7470 Ų7045%0.45437%0.37SS..SBendtrans-64-36.2-177.644.20000115R796 F798T783-R796 HydrophobicContact CG2-CB 3.71Å; T783-R796 HydrophobicContact CG2-CG 3.95Å; T783-R796 PolarHBondContact N-O 2.89Å; T783-R796 PolarHBondContact OG1-N 2.93Å; T783-R796 PolarHBondContact OG1-O 3.05Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.37Å
784L81.5Confident82.6Confident100 Ų10071.8 Ų71.852%0.52439%0.385SS..  trans-150.9135.6-172.6-158.979.3000110.1Q782 K786 Y789 L795Q782-L784 PolarHBondContact O-N 2.99Å; L784-K786 HydrophobicContact CD2-CG 4.32Å; L784-Y789 PolarHBondContact O-OH 3.12Å; L784-L795 WeakPolarHBondContact O-CD1 3.41Å
785Y83Confident82.7Confident151 Ų15169.9 Ų69.959%0.59237%0.373SS*.  trans-98.7115.9173.1-173.2-82.5000110.7H787Y785-H787 AromaticContact CE1-CE1 3.82Å; Y785-H787 AromaticContact CE1-NE2 3.94Å; Y785-H787 AromaticContact CZ-CE1 3.91Å; Y785-H787 PolarHBondContact OH-CE1 2.89Å; Y785-H787 PolarHBondContact OH-ND1 2.85Å
786K81.5Confident83.1Confident67 Ų6774.1 Ų74.129%0.29138%0.38SS..  trans-124.2152.3158.3-51.9-174-172.4-176.50108.6N773 L784 H788 Y789 E793N773-K786 WeakPolarHBondContact CB-O 3.22Å; N773-K786 PolarHBondContact ND2-O 3.04Å; L784-K786 HydrophobicContact CD2-CG 4.32Å; K786-H788 VanDerWaalsContact C-N 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.25Å; K786-H788 WeakPolarHBondContact CD-O 3.46Å; K786-Y789 HydrophobicContact CB-CD1 4.35Å; K786-Y789 HydrophobicContact CB-CD2 4.3Å; K786-Y789 HydrophobicContact CB-CE1 3.97Å; K786-Y789 HydrophobicContact CB-CE2 3.9Å; K786-Y789 HydrophobicContact CD-CD1 3.89Å; K786-Y789 HydrophobicContact CD-CE1 3.98Å; K786-Y789 HydrophobicContact CD-CG 4.44Å; K786-Y789 HydrophobicContact CG-CD1 4.27Å; K786-Y789 HydrophobicContact CG-CE1 3.86Å; K786-Y789 PolarHBondContact N-OH 2.87Å; K786-Y789 VanDerWaalsContact O-CE2 3.27Å; K786-Y789 WeakPolarHBondContact O-CE2 3.28Å; K786-E793 IonicContact NZ-OE1 2.79Å; K786-E793 PolarHBondContact NZ-OE1 2.95Å; K786-E793 IonicContact NZ-OE2 3.17Å; K786-E793 PolarHBondContact NZ-OE2 2.97Å
787H79.2Confident83.4Confident123 Ų12370 Ų7057%0.56936%0.355SS*.SBendtrans-70.6-32.7167.7-73.1-68000112.4N773 Y785N773-H787 PolarHBondContact N-O 3.17Å; Y785-H787 AromaticContact CE1-CE1 3.82Å; Y785-H787 AromaticContact CE1-NE2 3.94Å; Y785-H787 AromaticContact CZ-CE1 3.91Å; Y785-H787 PolarHBondContact OH-CE1 2.89Å; Y785-H787 PolarHBondContact OH-ND1 2.85Å
788H84.4Confident83.6Confident105 Ų10573 Ų7349%0.48637%0.367SS..EExtended strand (participates in β ladder)trans-137.3139.7-176.2-55.8101.1000109.7P770 C771 K786P770-H788 HydrophobicContact CB-CB 4.05Å; P770-H788 HydrophobicContact CG-CB 4.03Å; C771-H788 CarbonylContact O-C 3.42Å; C771-H788 WeakPolarHBondContact O-CA 3.21Å; K786-H788 VanDerWaalsContact C-N 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.25Å; K786-H788 WeakPolarHBondContact CD-O 3.46Å
789Y84.1Confident84Confident3 Ų366.4 Ų66.41%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-120.7136.6178.1-63.5-99.9000109.8P770 C771 N773 L784 K786 E793 L795 W821P770-Y789 CarbonylContact C-O 3.57Å; P770-Y789 WeakPolarHBondContact CA-O 3.46Å; P770-Y789 WeakPolarHBondContact CB-O 3.2Å; C771-Y789 PolarHBondContact N-O 2.87Å; C771-Y789 PolarHBondContact O-N 2.61Å; N773-Y789 HydrophobicContact CB-CE2 4.16Å; N773-Y789 PolarHBondContact ND2-OH 3.34Å; N773-Y789 VanDerWaalsContact ND2-OH 3.1Å; L784-Y789 PolarHBondContact O-OH 3.12Å; K786-Y789 HydrophobicContact CB-CD1 4.35Å; K786-Y789 HydrophobicContact CB-CD2 4.3Å; K786-Y789 HydrophobicContact CB-CE1 3.97Å; K786-Y789 HydrophobicContact CB-CE2 3.9Å; K786-Y789 HydrophobicContact CD-CD1 3.89Å; K786-Y789 HydrophobicContact CD-CE1 3.98Å; K786-Y789 HydrophobicContact CD-CG 4.44Å; K786-Y789 HydrophobicContact CG-CD1 4.27Å; K786-Y789 HydrophobicContact CG-CE1 3.86Å; K786-Y789 PolarHBondContact N-OH 2.87Å; K786-Y789 VanDerWaalsContact O-CE2 3.27Å; K786-Y789 WeakPolarHBondContact O-CE2 3.28Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.38Å; Y789-L795 HydrophobicContact CE1-CD1 4.19Å; Y789-L795 HydrophobicContact CE2-CD2 4.33Å; Y789-W821 HydrophobicContact CD1-CH2 4.13Å; Y789-W821 AromaticContact CD2-CH2 3.76Å; Y789-W821 HydrophobicContact CD2-CH2 3.76Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.39Å; Y789-W821 HydrophobicContact CE2-CZ2 4.2Å; Y789-W821 AromaticContact CG-CH2 3.62Å; Y789-W821 HydrophobicContact CG-CH2 3.62Å; Y789-W821 AromaticContact CG-CZ2 3.88Å; Y789-W821 HydrophobicContact CG-CZ2 3.88Å
790Q81.9Confident84.2Confident109 Ų10968.8 Ų68.851%0.50934%0.343SS..  trans-74.7155.5179.3-63.9-61.3-20.500111.1G792 E793Q790-G792 PolarHBondContact O-N 3.48Å; Q790-E793 HydrophobicContact CB-CG 4.16Å; Q790-E793 PolarHBondContact N-OE2 3.32Å; Q790-E793 VanDerWaalsContact O-CB 3.32Å; Q790-E793 WeakPolarHBondContact O-CB 3.38Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.18Å
791A76.8Confident84Confident30 Ų3077.9 Ų77.925%0.24838%0.383CS..THydrogen-bonded Turntrans-59129.1175.600000110.5Y768 C813 P815Y768-A791 HydrophobicContact CD2-CB 4.11Å; Y768-A791 HydrophobicContact CG-CB 4.14Å; A791-C813 WeakPolarHBondContact CA-O 3.43Å; A791-P815 HydrophobicContact CB-CB 3.89Å; A791-P815 HydrophobicContact CB-CG 3.94Å
792G80.5Confident83.4Confident63 Ų6375.7 Ų75.765%0.64939%0.392SS*.THydrogen-bonded Turntrans94.5-12.6-170.900000115.2Q790 C813Q790-G792 PolarHBondContact O-N 3.48Å; G792-C813 PolarHBondContact N-O 2.95Å
793E85Confident83Confident64 Ų6477.5 Ų77.530%0.29940%0.399SS..  trans-74.8151174.3-63.5-162.6123.600112.2K786 Y789 Q790 T812 C813K786-E793 IonicContact NZ-OE1 2.79Å; K786-E793 PolarHBondContact NZ-OE1 2.95Å; K786-E793 IonicContact NZ-OE2 3.17Å; K786-E793 PolarHBondContact NZ-OE2 2.97Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.38Å; Q790-E793 HydrophobicContact CB-CG 4.16Å; Q790-E793 PolarHBondContact N-OE2 3.32Å; Q790-E793 VanDerWaalsContact O-CB 3.32Å; Q790-E793 WeakPolarHBondContact O-CB 3.38Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.18Å; E793-T812 WeakPolarHBondContact O-CA 3.17Å; E793-C813 PolarHBondContact O-N 3.15Å
794S87Confident82.7Confident74 Ų7480 Ų8052%0.51741%0.406SS..EExtended strand (participates in β ladder)trans-123.1147.4-17961.60000112.3I811S794-I811 CarbonylContact C-O 3.57Å; S794-I811 WeakPolarHBondContact CA-O 3.03Å
795L86.8Confident82.8Confident0 Ų077.6 Ų77.60%039%0.393CS..EExtended strand (participates in β ladder)trans-128.6130-177.7-177.959.3000109P774 Q782 L784 Y789 F797 T810 I811 W821P774-L795 HydrophobicContact CG-CD2 4.09Å; Q782-L795 HydrophobicContact CB-CD1 4.08Å; Q782-L795 HydrophobicContact CG-CD1 4.33Å; L784-L795 WeakPolarHBondContact O-CD1 3.41Å; Y789-L795 HydrophobicContact CE1-CD1 4.19Å; Y789-L795 HydrophobicContact CE2-CD2 4.33Å; L795-F797 HydrophobicContact CD2-CE1 4.41Å; L795-F797 HydrophobicContact CD2-CE2 4.42Å; L795-F797 HydrophobicContact CD2-CZ 3.8Å; L795-F797 HydrophobicContact CG-CE2 4.29Å; L795-F797 HydrophobicContact CG-CZ 4.02Å; L795-T810 CarbonylContact O-C 3.56Å; L795-T810 VanDerWaalsContact O-CA 3.32Å; L795-T810 WeakPolarHBondContact O-CA 3.38Å; L795-I811 HydrophobicContact CB-CG1 4.16Å; L795-I811 PolarHBondContact N-O 2.53Å; L795-I811 PolarHBondContact O-N 2.77Å; L795-W821 HydrophobicContact CB-CH2 4.07Å; L795-W821 HydrophobicContact CB-CZ3 4.07Å; L795-W821 HydrophobicContact CD2-CH2 4.38Å
796R88.7Confident82.7Confident119 Ų11974.7 Ų74.745%0.44939%0.387SS..EExtended strand (participates in β ladder)trans-116.1140.2-176.2168169.2-67.1-171-5.1110.9Q782 T783 F798 V809 T810Q782-R796 CarbonylContact C-O 3.49Å; Q782-R796 VanDerWaalsContact CA-O 3.32Å; Q782-R796 WeakPolarHBondContact CA-O 3.4Å; T783-R796 HydrophobicContact CG2-CB 3.71Å; T783-R796 HydrophobicContact CG2-CG 3.95Å; T783-R796 PolarHBondContact N-O 2.89Å; T783-R796 PolarHBondContact OG1-N 2.93Å; T783-R796 PolarHBondContact OG1-O 3.05Å; R796-F798 HydrophobicContact CG-CE1 4.34Å; R796-F798 HydrophobicContact CG-CE2 4Å; R796-F798 HydrophobicContact CG-CZ 3.85Å; R796-V809 WeakPolarHBondContact CA-O 3.22Å; R796-V809 HydrophobicContact CG-CG1 4.3Å; R796-V809 WeakPolarHBondContact CG-O 3.29Å; R796-T810 HydrophobicContact CB-CG2 4.28Å; R796-T810 PolarHBondContact NE-OG1 3.14Å; R796-T810 PolarHBondContact NH2-OG1 2.92Å; R796-T810 VanDerWaalsContact NH2-OG1 3.12Å
797F88.6Confident82.7Confident0 Ų074 Ų740%040%0.4CS..EExtended strand (participates in β ladder)trans-114.6156-179.9-60.4-81.4000111.9P774 G775 P777 Y781 Q782 L795 L805 V809 I811 P825 P826P774-F797 HydrophobicContact CG-CZ 4.36Å; G775-F797 WeakPolarHBondContact O-CE1 3.02Å; P777-F797 HydrophobicContact CG-CD1 4.41Å; Y781-F797 WeakPolarHBondContact O-CA 3.32Å; Q782-F797 HydrophobicContact CB-CD1 3.75Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å; L795-F797 HydrophobicContact CD2-CE1 4.41Å; L795-F797 HydrophobicContact CD2-CE2 4.42Å; L795-F797 HydrophobicContact CD2-CZ 3.8Å; L795-F797 HydrophobicContact CG-CE2 4.29Å; L795-F797 HydrophobicContact CG-CZ 4.02Å; F797-L805 HydrophobicContact CB-CD1 4.46Å; F797-V809 PolarHBondContact N-O 2.82Å; F797-I811 HydrophobicContact CE2-CD1 3.68Å; F797-I811 HydrophobicContact CE2-CG1 3.93Å; F797-I811 HydrophobicContact CZ-CD1 4.15Å; F797-P825 HydrophobicContact CE2-CB 4.29Å; F797-P825 HydrophobicContact CZ-CB 4.08Å; F797-P826 HydrophobicContact CB-CG 3.72Å; F797-P826 HydrophobicContact CD2-CG 3.88Å; F797-P826 HydrophobicContact CG-CG 3.99Å
798F87.7Confident83Confident78 Ų7873.1 Ų73.134%0.34240%0.395SS..EExtended strand (participates in β ladder)trans-141.1150.9174.4-59.6-76000109.6G780 Y781 T783 R796G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.48Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.49Å; Y781-F798 HydrophobicContact CD2-CD2 4.19Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.03Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.36Å; Y781-F798 HydrophobicContact CE2-CG 4.15Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.92Å; Y781-F798 PolarHBondContact N-O 3.18Å; Y781-F798 PolarHBondContact O-N 2.78Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.37Å; R796-F798 HydrophobicContact CG-CE1 4.34Å; R796-F798 HydrophobicContact CG-CE2 4Å; R796-F798 HydrophobicContact CG-CZ 3.85Å
799C87.3Confident83Confident26 Ų2671.3 Ų71.318%0.17639%0.392CS..EExtended strand (participates in β ladder)trans-96.7159.4171.7-61.60000111F803 L805 C828C799-F803 HydrophobicContact CB-CB 4.02Å; C799-L805 VanDerWaalsContact SG-CB 3.6Å; C799-C828 WeakPolarHBondContact CA-SG 3.46Å; C799-C828 HydrophobicContact CB-CB 3.76Å; C799-C828 WeakPolarHBondContact CB-SG 3.23Å; C799-C828 WeakPolarHBondContact SG-CA 3.22Å; C799-C828 WeakPolarHBondContact SG-CB 3.38Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.88Å
800Y83.6Confident83.2Confident124 Ų12472.8 Ų72.849%0.48640%0.401SS..PPolyproline II helixtrans-75.6163.9167.8-61.4-62.4000111.5N779 G780 Y781 F803N779-Y800 VanDerWaalsContact O-CD2 3.22Å; N779-Y800 WeakPolarHBondContact O-CD2 3.48Å; N779-Y800 PolarHBondContact O-N 3.45Å; G780-Y800 WeakPolarHBondContact O-CE2 3.5Å; G780-Y800 PolarHBondContact O-OH 3.12Å; Y781-Y800 HydrophobicContact CD1-CD1 4.16Å; Y781-Y800 AromaticContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CD1-CE1 3.64Å; Y781-Y800 HydrophobicContact CE1-CD1 4.4Å; Y781-Y800 HydrophobicContact CE1-CE1 4.2Å; Y800-F803 PolarHBondContact O-N 3.17Å
801E79.2Confident83.5Confident198 Ų19867.6 Ų67.693%0.92538%0.377SS*.THydrogen-bonded Turntrans-57.6135.6-176.1-168.1171.2-164.100112.1
802G72.3Confident84.1Confident56 Ų5668.5 Ų68.558%0.57738%0.379SS*.THydrogen-bonded Turntrans89.6-1.8-174.500000115.7
803F79.9Confident84.4Confident64 Ų6465.5 Ų65.528%0.28135%0.348SS..EExtended strand (participates in β ladder)trans-119.6133.6176.4-61.2-103000112N779 C799 Y800 C828 K829 V830N779-F803 HydrophobicContact CB-CD1 4.07Å; N779-F803 HydrophobicContact CB-CD2 4.28Å; N779-F803 HydrophobicContact CB-CE1 3.88Å; N779-F803 HydrophobicContact CB-CE2 4.11Å; N779-F803 HydrophobicContact CB-CG 4.28Å; N779-F803 HydrophobicContact CB-CZ 3.91Å; C799-F803 HydrophobicContact CB-CB 4.02Å; Y800-F803 PolarHBondContact O-N 3.17Å; F803-C828 HydrophobicContact CB-CB 3.99Å; F803-C828 HydrophobicContact CD1-CB 4.39Å; F803-C828 HydrophobicContact CG-CB 4.45Å; F803-K829 CarbonylContact C-O 3.58Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.03Å; F803-V830 HydrophobicContact CD1-CG2 3.94Å; F803-V830 HydrophobicContact CE1-CG2 3.6Å; F803-V830 HydrophobicContact CZ-CG2 4.15Å
804E78.8Confident84.3Confident126 Ų12665.4 Ų65.459%0.58935%0.352SS*.EExtended strand (participates in β ladder)trans-88.9143.9170.2-75.4-178.4171.800111.5C828 K829 A831E804-C828 WeakPolarHBondContact O-CA 3.38Å; E804-K829 PolarHBondContact N-O 2.04Å; E804-K829 PolarHBondContact O-N 3.38Å; E804-A831 HydrophobicContact CB-CB 4.35Å; E804-A831 VanDerWaalsContact CD-CB 3.41Å; E804-A831 HydrophobicContact CG-CB 3.7Å
805L83.4Confident83.9Confident49 Ų4965.5 Ų65.526%0.25735%0.351SS..EExtended strand (participates in β ladder)trans-88.5111.7-179.8-171.4159000109.9F797 C799 V809 P826F797-L805 HydrophobicContact CB-CD1 4.46Å; C799-L805 VanDerWaalsContact SG-CB 3.6Å; L805-V809 HydrophobicContact CD1-CG2 4.22Å; L805-V809 HydrophobicContact CD2-CG2 3.76Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.09Å; L805-P826 HydrophobicContact CD2-CB 3.42Å; L805-P826 VanDerWaalsContact CD2-CB 3.42Å; L805-P826 HydrophobicContact CD2-CG 3.86Å; L805-P826 HydrophobicContact CG-CB 3.85Å; L805-P826 HydrophobicContact CG-CG 4.01Å
806I79.8Confident83Confident90 Ų9066.4 Ų66.446%0.46236%0.36SS..EExtended strand (participates in β ladder)trans-105.5102.8179.1-57.5176.6000108.7L827 K829I806-L827 PolarHBondContact N-O 2.04Å; I806-L827 PolarHBondContact O-N 3.33Å; I806-K829 HydrophobicContact CD1-CB 3.95Å; I806-K829 HydrophobicContact CD1-CD 3.82Å; I806-K829 HydrophobicContact CD1-CG 3.99Å
807G81.6Confident81.9Confident54 Ų5466.5 Ų66.556%0.55737%0.366SS*.SBendtrans140.3-164.9-177.400000111
808E86.3Confident81.1Confident103 Ų10370.1 Ų70.148%0.48139%0.389SS..  trans-88121.8-178.6-162.7161.6-147.500111.2T810 S823E808-T810 PolarHBondContact O-N 2.9Å; E808-S823 VanDerWaalsContact OE2-CB 3.29Å; E808-S823 WeakPolarHBondContact OE2-CB 3.03Å; E808-S823 PolarHBondContact OE2-OG 2.97Å
809V84.6Confident80.7Confident67 Ų6767 Ų6741%0.40638%0.377SS..SBendtrans-64.5-22.7-175-1800000112.3R796 F797 L805R796-V809 WeakPolarHBondContact CA-O 3.22Å; R796-V809 HydrophobicContact CG-CG1 4.3Å; R796-V809 WeakPolarHBondContact CG-O 3.29Å; F797-V809 PolarHBondContact N-O 2.82Å; L805-V809 HydrophobicContact CD1-CG2 4.22Å; L805-V809 HydrophobicContact CD2-CG2 3.76Å
810T88.3Confident80.5Confident34 Ų3471.8 Ų71.821%0.20940%0.397CS..EExtended strand (participates in β ladder)trans-145.5116.1-178.1-53.80000109.8L795 R796 E808L795-T810 CarbonylContact O-C 3.56Å; L795-T810 VanDerWaalsContact O-CA 3.32Å; L795-T810 WeakPolarHBondContact O-CA 3.38Å; R796-T810 HydrophobicContact CB-CG2 4.28Å; R796-T810 PolarHBondContact NE-OG1 3.14Å; R796-T810 PolarHBondContact NH2-OG1 2.92Å; R796-T810 VanDerWaalsContact NH2-OG1 3.12Å; E808-T810 PolarHBondContact O-N 2.9Å
811I88.4Confident80.7Confident0 Ų068 Ų680%038%0.381CS..EExtended strand (participates in β ladder)trans-101.8150.917967.1175.5000109.6P774 S794 L795 F797 W821 S823P774-I811 HydrophobicContact CG-CD1 3.69Å; S794-I811 CarbonylContact C-O 3.57Å; S794-I811 WeakPolarHBondContact CA-O 3.03Å; L795-I811 HydrophobicContact CB-CG1 4.16Å; L795-I811 PolarHBondContact N-O 2.53Å; L795-I811 PolarHBondContact O-N 2.77Å; F797-I811 HydrophobicContact CE2-CD1 3.68Å; F797-I811 HydrophobicContact CE2-CG1 3.93Å; F797-I811 HydrophobicContact CZ-CD1 4.15Å; I811-W821 HydrophobicContact CB-CE3 4.23Å; I811-W821 HydrophobicContact CD1-CB 4.23Å; I811-W821 HydrophobicContact CD1-CD2 3.79Å; I811-W821 HydrophobicContact CD1-CE3 3.69Å; I811-W821 HydrophobicContact CD1-CG 4.03Å; I811-W821 HydrophobicContact CD1-CZ3 4.33Å; I811-W821 HydrophobicContact CG1-CD2 4.22Å; I811-W821 HydrophobicContact CG1-CE3 3.59Å; I811-W821 HydrophobicContact CG1-CZ3 4Å; I811-S823 VanDerWaalsContact CG2-OG 3.23Å; I811-S823 WeakPolarHBondContact CG2-OG 3.49Å
812T88.6Confident81.1Confident49 Ų4961.9 Ų61.930%0.30136%0.358SS..EExtended strand (participates in β ladder)trans-123.6145.8178.677.30000111.7E793 V814 W821 T822E793-T812 WeakPolarHBondContact O-CA 3.17Å; T812-V814 PolarHBondContact O-N 3.07Å; T812-W821 WeakPolarHBondContact O-CA 3.49Å; T812-T822 PolarHBondContact N-OG1 2.84Å; T812-T822 PolarHBondContact O-N 2.97Å; T812-T822 VanDerWaalsContact OG1-CG2 3.22Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.47Å
813C87.1Confident81.6Confident0 Ų060.7 Ų60.70%034%0.341CS..EExtended strand (participates in β ladder)trans-8199.1175.2178.20000108.3C771 A791 G792 E793 Q820 W821C771-C813 HydrophobicContact CB-CB 3.79Å; C771-C813 WeakPolarHBondContact CB-SG 3.45Å; C771-C813 PolarHBondContact N-SG 3.45Å; C771-C813 WeakPolarHBondContact SG-CA 3.02Å; C771-C813 WeakPolarHBondContact SG-CB 3.39Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 3.29Å; A791-C813 WeakPolarHBondContact CA-O 3.43Å; G792-C813 PolarHBondContact N-O 2.95Å; E793-C813 PolarHBondContact O-N 3.15Å; C813-Q820 CarbonylContact C-O 3.38Å; C813-W821 HydrophobicContact CB-CE3 4.17Å; C813-W821 HydrophobicContact CB-CH2 4.16Å; C813-W821 HydrophobicContact CB-CZ3 3.92Å
814V83.5Confident81.7Confident63 Ų6365.9 Ų65.938%0.38237%0.366SS..EExtended strand (participates in β ladder)trans-78.8136.8179.6-74.80000110.9T812 G816 S819 Q820 T822T812-V814 PolarHBondContact O-N 3.07Å; V814-G816 PolarHBondContact O-N 3.37Å; V814-S819 VanDerWaalsContact O-CB 3.31Å; V814-S819 WeakPolarHBondContact O-CB 3.02Å; V814-Q820 WeakPolarHBondContact CG2-O 3.39Å; V814-Q820 PolarHBondContact N-O 2.83Å; V814-Q820 PolarHBondContact O-N 3.01Å; V814-T822 HydrophobicContact CG1-CG2 3.71Å
815P77Confident81.9Confident76 Ų7662 Ų6249%0.49435%0.351SS..  trans-60.3129.2-177.1-14.723.3000112.3Y768 A791Y768-P815 HydrophobicContact CD1-CB 3.68Å; Y768-P815 HydrophobicContact CD2-CB 4Å; Y768-P815 HydrophobicContact CE1-CB 3.55Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 3.91Å; A791-P815 HydrophobicContact CB-CB 3.89Å; A791-P815 HydrophobicContact CB-CG 3.94Å
816G69.3Low82Confident19 Ų1959.8 Ų59.820%0.19634%0.34CS..  trans-165.5-173.7179.200000113.9V814 P818 S819V814-G816 PolarHBondContact O-N 3.37Å; G816-P818 CarbonylContact C-O 3.54Å; G816-P818 CarbonylContact O-C 3.46Å; G816-S819 PolarHBondContact N-OG 2.03Å; G816-S819 VanDerWaalsContact N-OG 3.14Å; G816-S819 PolarHBondContact O-N 2.83Å; G816-S819 PolarHBondContact O-OG 3.46Å
817H64.2Low82.2Confident121 Ų12160.4 Ų60.456%0.5634%0.344SS*.THydrogen-bonded Turntrans-133.689.4175.4-65.7-68.5000110.1
818P71.6Confident82.3Confident76 Ų7658.5 Ų58.549%0.49432%0.322SS..THydrogen-bonded Turncis-70.9159-7.532.2-36.6000112G816G816-P818 CarbonylContact C-O 3.54Å; G816-P818 CarbonylContact O-C 3.46Å
819S80.4Confident81.9Confident11 Ų1159 Ų598%0.07732%0.323CS..  trans-66146.3169.3-56.30000110.3E769 C771 V814 G816E769-S819 WeakPolarHBondContact O-CB 3.43Å; E769-S819 PolarHBondContact O-OG 3.49Å; C771-S819 VanDerWaalsContact SG-C 3.59Å; C771-S819 VanDerWaalsContact SG-CB 3.58Å; V814-S819 VanDerWaalsContact O-CB 3.31Å; V814-S819 WeakPolarHBondContact O-CB 3.02Å; G816-S819 PolarHBondContact N-OG 2.03Å; G816-S819 VanDerWaalsContact N-OG 3.14Å; G816-S819 PolarHBondContact O-N 2.83Å; G816-S819 PolarHBondContact O-OG 3.46Å
820Q83Confident81.4Confident128 Ų12861.1 Ų61.160%0.59834%0.335SS*.EExtended strand (participates in β ladder)trans-129.1158.8-174.1-59.5-173.119.200110.9C813 V814C813-Q820 CarbonylContact C-O 3.38Å; V814-Q820 WeakPolarHBondContact CG2-O 3.39Å; V814-Q820 PolarHBondContact N-O 2.83Å; V814-Q820 PolarHBondContact O-N 3.01Å
821W86.6Confident80Confident44 Ų4461.2 Ų61.217%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-79142.5169.9-65.6105000110.1C771 L772 P774 Y789 L795 I811 T812 C813 S823C771-W821 HydrophobicContact CB-CD2 4.28Å; C771-W821 HydrophobicContact CB-CZ2 3.74Å; L772-W821 PolarHBondContact O-NE1 3.48Å; P774-W821 HydrophobicContact CG-CD2 4.36Å; P774-W821 HydrophobicContact CG-CG 4.46Å; P774-W821 HydrophobicContact CG-CZ2 4.35Å; Y789-W821 HydrophobicContact CD1-CH2 4.13Å; Y789-W821 AromaticContact CD2-CH2 3.76Å; Y789-W821 HydrophobicContact CD2-CH2 3.76Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.39Å; Y789-W821 HydrophobicContact CE2-CZ2 4.2Å; Y789-W821 AromaticContact CG-CH2 3.62Å; Y789-W821 HydrophobicContact CG-CH2 3.62Å; Y789-W821 AromaticContact CG-CZ2 3.88Å; Y789-W821 HydrophobicContact CG-CZ2 3.88Å; L795-W821 HydrophobicContact CB-CH2 4.07Å; L795-W821 HydrophobicContact CB-CZ3 4.07Å; L795-W821 HydrophobicContact CD2-CH2 4.38Å; I811-W821 HydrophobicContact CB-CE3 4.23Å; I811-W821 HydrophobicContact CD1-CB 4.23Å; I811-W821 HydrophobicContact CD1-CD2 3.79Å; I811-W821 HydrophobicContact CD1-CE3 3.69Å; I811-W821 HydrophobicContact CD1-CG 4.03Å; I811-W821 HydrophobicContact CD1-CZ3 4.33Å; I811-W821 HydrophobicContact CG1-CD2 4.22Å; I811-W821 HydrophobicContact CG1-CE3 3.59Å; I811-W821 HydrophobicContact CG1-CZ3 4Å; T812-W821 WeakPolarHBondContact O-CA 3.49Å; C813-W821 HydrophobicContact CB-CE3 4.17Å; C813-W821 HydrophobicContact CB-CH2 4.16Å; C813-W821 HydrophobicContact CB-CZ3 3.92Å; W821-S823 PolarHBondContact O-N 2.95Å; W821-S823 VanDerWaalsContact O-N 3.13Å
822T88.1Confident78.2Confident69 Ų6972 Ų7242%0.42338%0.382SS..SBendtrans-53.1-31175.245.40000113.9T812 V814T812-T822 PolarHBondContact N-OG1 2.84Å; T812-T822 PolarHBondContact O-N 2.97Å; T812-T822 VanDerWaalsContact OG1-CG2 3.22Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.47Å; V814-T822 HydrophobicContact CG1-CG2 3.71Å
823S82.6Confident76.2Confident32 Ų3278.2 Ų78.222%0.22441%0.407CS..SBendtrans-159.7157.8-167.131.80000110.1E808 I811 W821E808-S823 VanDerWaalsContact OE2-CB 3.29Å; E808-S823 WeakPolarHBondContact OE2-CB 3.03Å; E808-S823 PolarHBondContact OE2-OG 2.97Å; I811-S823 VanDerWaalsContact CG2-OG 3.23Å; I811-S823 WeakPolarHBondContact CG2-OG 3.49Å; W821-S823 PolarHBondContact O-N 2.95Å; W821-S823 VanDerWaalsContact O-N 3.13Å
824Q82.9Confident74Confident172 Ų17287.2 Ų87.280%0.80445%0.449SS*.PPolyproline II helixtrans-73.7152.9176.1-67.1-178.81.500110.6
825P82.6Confident72Confident44 Ų4491.5 Ų91.529%0.28647%0.469SS..PPolyproline II helixtrans-58.3136.7177.723.9-33.7000111.1F797F797-P825 HydrophobicContact CE2-CB 4.29Å; F797-P825 HydrophobicContact CZ-CB 4.08Å
826P85.2Confident70.3Confident3 Ų395 Ų952%0.01948%0.483CS..PPolyproline II helixtrans-73.1154.4-173.131-36.6000112.4P777 F797 L805P777-P826 WeakPolarHBondContact CB-O 3.35Å; P777-P826 WeakPolarHBondContact CG-O 3.25Å; F797-P826 HydrophobicContact CB-CG 3.72Å; F797-P826 HydrophobicContact CD2-CG 3.88Å; F797-P826 HydrophobicContact CG-CG 3.99Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.09Å; L805-P826 HydrophobicContact CD2-CB 3.42Å; L805-P826 VanDerWaalsContact CD2-CB 3.42Å; L805-P826 HydrophobicContact CD2-CG 3.86Å; L805-P826 HydrophobicContact CG-CB 3.85Å; L805-P826 HydrophobicContact CG-CG 4.01Å
827L84.3Confident68.7Low103 Ų103101.4 Ų101.454%0.53951%0.513SS..EExtended strand (participates in β ladder)trans-101.1134.4-177.3-63.6173.4000111.8I806I806-L827 PolarHBondContact N-O 2.04Å; I806-L827 PolarHBondContact O-N 3.33Å
828C84.9Confident67.5Low15 Ų15101.7 Ų101.710%0.10152%0.519CS..EExtended strand (participates in β ladder)trans-91.2120.6174.1-60.50000110.4E778 N779 C799 F803 E804E778-C828 WeakPolarHBondContact O-CB 3.34Å; N779-C828 HydrophobicContact CB-CB 4.34Å; C799-C828 WeakPolarHBondContact CA-SG 3.46Å; C799-C828 HydrophobicContact CB-CB 3.76Å; C799-C828 WeakPolarHBondContact CB-SG 3.23Å; C799-C828 WeakPolarHBondContact SG-CA 3.22Å; C799-C828 WeakPolarHBondContact SG-CB 3.38Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.88Å; F803-C828 HydrophobicContact CB-CB 3.99Å; F803-C828 HydrophobicContact CD1-CB 4.39Å; F803-C828 HydrophobicContact CG-CB 4.45Å; E804-C828 WeakPolarHBondContact O-CA 3.38Å
829K76.7Confident65.8Low114 Ų114109.7 Ų109.750%0.49654%0.539SS..EExtended strand (participates in β ladder)trans-127.9148.9177.9-64.2-164.3-169.5174.30112.2F803 E804 I806F803-K829 CarbonylContact C-O 3.58Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.03Å; E804-K829 PolarHBondContact N-O 2.04Å; E804-K829 PolarHBondContact O-N 3.38Å; I806-K829 HydrophobicContact CD1-CB 3.95Å; I806-K829 HydrophobicContact CD1-CD 3.82Å; I806-K829 HydrophobicContact CD1-CG 3.99Å
830V74.3Confident63.4Low110 Ų110117.9 Ų117.967%0.66757%0.573SS**EExtended strand (participates in β ladder)trans-67.3133.4175.5-1730000109.5F803F803-V830 HydrophobicContact CD1-CG2 3.94Å; F803-V830 HydrophobicContact CE1-CG2 3.6Å; F803-V830 HydrophobicContact CZ-CG2 4.15Å
831A58.1Low61.2Low37 Ų37118.5 Ų118.531%0.30658%0.58SS.*  trans-104.5114.6-177.300000111.7E804E804-A831 HydrophobicContact CB-CB 4.35Å; E804-A831 VanDerWaalsContact CD-CB 3.41Å; E804-A831 HydrophobicContact CG-CB 3.7Å
832Y50.7Low58.7Low227 Ų227123.6 Ų123.689%0.8961%0.605SS**  trans-161.9159.4162-127.7-86.5000112.7
833E46.5Very low56.2Low178 Ų178127.3 Ų127.383%0.83263%0.628SS**  trans7087.9174.5-58.7-156.9152.900118.8
834E42.1Very low53.7Low189 Ų189131 Ų13188%0.88365%0.649SS**  trans-73.7135.2131-65.4-175.4115.600109.4
835L41.4Very low51.5Low153 Ų153132.3 Ų132.380%0.80166%0.655SS**  trans174.7127.8137.6-99.4160.2000112.7
836L41Very low49.2Very low151 Ų151135.6 Ų135.679%0.79168%0.675SS**  trans65.2130.7164.9-52.4165.6000115.5
837D35.1Very low46.8Very low152 Ų152142.4 Ų142.481%0.81372%0.717SS**  cis-138.7172.927.8-168.318.7000113.3
838N39.6Very low44.2Very low127 Ų127144.6 Ų144.668%0.67973%0.729SS**  trans-93.6164.2-167-80.6-85.8000115.8
839R35.9Very low42.3Very low245 Ų245149.6 Ų149.693%0.92576%0.761SS**  trans91.1140171.2-55.6167.9158.3159.7-5.5113.4
840K29.9Very low40.2Very low182 Ų182149.4 Ų149.479%0.79177%0.774SS**  cis-159.8134.236.9-174.1178.4171.9-177.30114.9
841L36Very low38.4Very low142 Ų142155.4 Ų155.474%0.74378%0.784SS**  trans68.5125.9159-91.8157.9000120.4
842E35Very low37.5Very low150 Ų150162.6 Ų162.670%0.70181%0.812SS**  trans-70.9161.4162-42.4107.9131.700111.9
843V34.7Very low36.9Very low148 Ų148158.7 Ų158.790%0.89781%0.805SS**  -136.2129.6123177.80000108
844T31.4Very low37.1Very low109 Ų109158.7 Ų158.767%0.66981%0.806SS**  trans-82.5148.9175490000112.2
845Q36.1Very low37.1Very low200 Ų200153.6 Ų153.694%0.93580%0.803SS**  trans-141.3121.9140.5-151165.729.100111.5
846T33.5Very low37.6Very low112 Ų112149.7 Ų149.769%0.68780%0.8SS**  trans-108.1141-17848.10000110.6
847T35.3Very low38.4Very low147 Ų147148.8 Ų148.890%0.90280%0.796SS**  trans-144.3140.4153.514.90000109.5
848D30.4Very low39.3Very low149 Ų149148 Ų14880%0.79779%0.792SS**  trans-85.4155.2-155.9-77.9-66.6000116.6
849P44.7Very low40Very low119 Ų119145.2 Ų145.277%0.77379%0.786SS**  trans-80.4139.5165.934-33.2000111.6
850S32.9Very low41Very low110 Ų110138.5 Ų138.577%0.76977%0.768SS**  trans-160.4158.7154.5630000113.4
851R35.8Very low42.3Very low236 Ų236133.4 Ų133.489%0.89176%0.76SS**  trans73.676.3168.6-56.1-167.4175.1-147.2-5.3118.3
852Q38.7Very low43.6Very low188 Ų188132.1 Ų132.188%0.87975%0.752SS**  -69.8122.4125.9-67.8176.5-65.700108.7
853L38.6Very low44.8Very low145 Ų145130.4 Ų130.476%0.75975%0.747SS**  -177.6155126.8-12269000111.5
854E51.1Low46.4Very low179 Ų179129.1 Ų129.184%0.83674%0.735SS**  trans50.889.4158.2-67.2175.5109.700119.6
855G42.8Very low48.1Very low81 Ų81127.3 Ų127.384%0.83573%0.725SS**  trans-102.110.5157.300000114.1N857G855-N857 VanDerWaalsContact C-N 3.29Å; G855-N857 PolarHBondContact O-N 2.83Å
856G51.5Low49.8Very low71 Ų71122.8 Ų122.873%0.73271%0.707SS**  trans-81.532.7-165.400000116.8
857N57.8Low51.7Low133 Ų133119 Ų11971%0.71169%0.69SS**SBendtrans-154.352.2-176.2-112.1-29.2000115.1G855G855-N857 VanDerWaalsContact C-N 3.29Å; G855-N857 PolarHBondContact O-N 2.83Å
858L53.2Low53.8Low136 Ų136117.3 Ų117.371%0.71268%0.675SS**SBendtrans-124.3-32.2171.1-153.871.9000114.5L860L858-L860 PolarHBondContact O-N 2.88Å
859A53.9Low56.1Low68 Ų68115.1 Ų115.156%0.56267%0.666SS**SBendtrans-66.5-37.4-17900000113.7A861 I862 L863A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.08Å; A859-I862 PolarHBondContact O-N 2.79Å; A859-L863 WeakPolarHBondContact O-CG 2.96Å; A859-L863 PolarHBondContact O-N 3.26Å
860L57.1Low57.6Low104 Ų104114.9 Ų114.955%0.54566%0.658SS.*Hα-helixtrans-65.5-31.7-177.5-76.3167.7000113.3L858 I862 L864L858-L860 PolarHBondContact O-N 2.88Å; L860-I862 PolarHBondContact O-N 2.95Å; L860-L864 WeakPolarHBondContact O-CB 3.13Å; L860-L864 WeakPolarHBondContact O-CG 3.17Å; L860-L864 PolarHBondContact O-N 2.63Å
861A58.5Low59.9Low75 Ų75114.4 Ų114.462%0.6265%0.65SS**Hα-helixtrans-67.5-23.1-178.600000113.6A859 P865A859-A861 VanDerWaalsContact C-N 3.31Å; A859-A861 PolarHBondContact O-N 3.08Å; A861-P865 WeakPolarHBondContact O-CD 3.11Å
862I62.2Low62.1Low114 Ų114108.5 Ų108.559%0.58564%0.635SS**Hα-helixtrans-100.4-38.1-178.4-58.3175.5000111.1A859 L860 P865A859-I862 PolarHBondContact O-N 2.79Å; L860-I862 PolarHBondContact O-N 2.95Å; I862-P865 WeakPolarHBondContact O-CD 3.24Å; I862-P865 WeakPolarHBondContact O-CG 3.39Å
863L61.3Low64Low114 Ų114101.6 Ų101.660%0.59761%0.614SS**Hα-helixtrans-74.4-35.1-175.8-68.2171.2000113.6A859 L866 G867A859-L863 WeakPolarHBondContact O-CG 2.96Å; A859-L863 PolarHBondContact O-N 3.26Å; L863-L866 PolarHBondContact O-N 2.9Å; L863-G867 PolarHBondContact O-N 3.22Å
864L68.4Low65.5Low121 Ų12197.5 Ų97.563%0.63460%0.598SS**Hα-helixtrans-60.7-51178.6-78.3168.5000114L860 L866 G867 L868L860-L864 WeakPolarHBondContact O-CB 3.13Å; L860-L864 WeakPolarHBondContact O-CG 3.17Å; L860-L864 PolarHBondContact O-N 2.63Å; L864-L866 PolarHBondContact O-N 3.38Å; L864-G867 PolarHBondContact O-N 2.83Å; L864-L868 PolarHBondContact O-N 3.06Å
865P65.4Low66.8Low71 Ų7190.8 Ų90.846%0.46158%0.577SS.*Hα-helixtrans-66-35.6176.824.2-33.1000112.6A861 I862 L868 V869A861-P865 WeakPolarHBondContact O-CD 3.11Å; I862-P865 WeakPolarHBondContact O-CD 3.24Å; I862-P865 WeakPolarHBondContact O-CG 3.39Å; P865-L868 PolarHBondContact O-N 2.84Å; P865-V869 WeakPolarHBondContact O-CG2 3.31Å; P865-V869 PolarHBondContact O-N 2.91Å; P865-V869 VanDerWaalsContact O-N 3.11Å
866L72.8Confident68.5Low106 Ų10691.2 Ų91.256%0.55556%0.563SS**Hα-helixtrans-63.1-45.9177.8-130.189.7000111.9L863 L864 L868 V869 I870L863-L866 PolarHBondContact O-N 2.9Å; L864-L866 PolarHBondContact O-N 3.38Å; L866-L868 VanDerWaalsContact C-N 3.31Å; L866-L868 PolarHBondContact O-N 3.08Å; L866-V869 PolarHBondContact O-N 3.38Å; L866-I870 WeakPolarHBondContact O-CG1 3.46Å; L866-I870 PolarHBondContact O-N 2.85Å; L866-I870 VanDerWaalsContact O-N 3.12Å
867G73.8Confident69.5Low33 Ų3395.6 Ų95.634%0.3456%0.559SS.*Hα-helixtrans-61.7-38.817700000112.7L863 L864 I870 V871L863-G867 PolarHBondContact O-N 3.22Å; L864-G867 PolarHBondContact O-N 2.83Å; G867-I870 PolarHBondContact O-N 3.31Å; G867-V871 WeakPolarHBondContact O-CG2 3.46Å; G867-V871 PolarHBondContact O-N 2.92Å
868L78.6Confident70.1Confident110 Ų11094.2 Ų94.258%0.57655%0.55SS**Hα-helixtrans-67-38.5179-162151000112L864 P865 L866 V871 L872L864-L868 PolarHBondContact O-N 3.06Å; P865-L868 PolarHBondContact O-N 2.84Å; L866-L868 VanDerWaalsContact C-N 3.31Å; L866-L868 PolarHBondContact O-N 3.08Å; L868-V871 PolarHBondContact O-N 2.98Å; L868-L872 HydrophobicContact CD2-CD1 3.65Å; L868-L872 HydrophobicContact CD2-CG 4.18Å; L868-L872 WeakPolarHBondContact O-CG 3.2Å; L868-L872 PolarHBondContact O-N 3.2Å
869V78.5Confident71.2Confident103 Ų10395 Ų9562%0.62455%0.545SS*.Hα-helixtrans-63.8-42.1172.9172.40000111.6P865 L866 L872 G873P865-V869 WeakPolarHBondContact O-CG2 3.31Å; P865-V869 PolarHBondContact O-N 2.91Å; P865-V869 VanDerWaalsContact O-N 3.11Å; L866-V869 PolarHBondContact O-N 3.38Å; V869-L872 PolarHBondContact O-N 2.82Å; V869-G873 PolarHBondContact O-N 2.61Å
870I77.4Confident71.9Confident115 Ų11598.6 Ų98.659%0.5955%0.545SS*.Hα-helixtrans-64.1-41.8177.9-67.4165.6000111.3L866 G867 G873 S874L866-I870 WeakPolarHBondContact O-CG1 3.46Å; L866-I870 PolarHBondContact O-N 2.85Å; L866-I870 VanDerWaalsContact O-N 3.12Å; G867-I870 PolarHBondContact O-N 3.31Å; I870-G873 PolarHBondContact O-N 2.69Å; I870-S874 PolarHBondContact O-N 3.42Å; I870-S874 PolarHBondContact O-OG 3.39Å
871V79.9Confident72.3Confident100 Ų10095 Ų9561%0.60653%0.528SS*.Hα-helixtrans-64.8-42.6176.4170.30000111.9G867 L868 S874 G875G867-V871 WeakPolarHBondContact O-CG2 3.46Å; G867-V871 PolarHBondContact O-N 2.92Å; L868-V871 PolarHBondContact O-N 2.98Å; V871-S874 PolarHBondContact O-OG 3.09Å; V871-G875 PolarHBondContact O-N 3.02Å
872L82.7Confident72.4Confident111 Ų111100 Ų10058%0.58154%0.535SS*.Hα-helixtrans-65.6-42.2175.9-71.3176.4000111.9L868 V869 G875 V876L868-L872 HydrophobicContact CD2-CD1 3.65Å; L868-L872 HydrophobicContact CD2-CG 4.18Å; L868-L872 WeakPolarHBondContact O-CG 3.2Å; L868-L872 PolarHBondContact O-N 3.2Å; V869-L872 PolarHBondContact O-N 2.82Å; L872-G875 PolarHBondContact O-N 3.39Å; L872-V876 WeakPolarHBondContact O-CG2 3.5Å; L872-V876 PolarHBondContact O-N 3.15Å
873G79.4Confident72.6Confident43 Ų43100.2 Ų100.244%0.44354%0.537SS..Hα-helixtrans-60.7-43.9176.500000113V869 I870 V876 Y877V869-G873 PolarHBondContact O-N 2.61Å; I870-G873 PolarHBondContact O-N 2.69Å; G873-V876 PolarHBondContact O-N 3.38Å; G873-Y877 PolarHBondContact O-N 3.13Å
874S69.5Low72.4Confident59 Ų59101.3 Ų101.341%0.41354%0.539SS..Hα-helixtrans-67.1-36.6176.769.20000112.4I870 V871 Y877 I878I870-S874 PolarHBondContact O-N 3.42Å; I870-S874 PolarHBondContact O-OG 3.39Å; V871-S874 PolarHBondContact O-OG 3.09Å; S874-Y877 PolarHBondContact O-N 2.89Å; S874-I878 VanDerWaalsContact O-CG1 3.31Å; S874-I878 WeakPolarHBondContact O-CG1 3.44Å; S874-I878 PolarHBondContact O-N 3.07Å
875G77.4Confident71.9Confident38 Ų3899 Ų9939%0.39254%0.544SS..Hα-helixtrans-61-44.7173.200000113.3V871 L872 I878 Y879V871-G875 PolarHBondContact O-N 3.02Å; L872-G875 PolarHBondContact O-N 3.39Å; G875-I878 PolarHBondContact O-N 3.35Å; G875-Y879 WeakPolarHBondContact O-CB 3.42Å; G875-Y879 PolarHBondContact O-N 3.14Å
876V80.1Confident71.4Confident91 Ų91103.9 Ų103.955%0.55256%0.558SS**Hα-helixtrans-64.7-39.6175.9173.30000111.4L872 G873 Y879 Y880L872-V876 WeakPolarHBondContact O-CG2 3.5Å; L872-V876 PolarHBondContact O-N 3.15Å; G873-V876 PolarHBondContact O-N 3.38Å; V876-Y879 PolarHBondContact O-N 3.22Å; V876-Y880 PolarHBondContact O-N 3.31Å
877Y71.6Confident70.1Confident162 Ų162104.1 Ų104.164%0.63557%0.569SS**Hα-helixtrans-64.2-42.2176.4-175.2-97.4000112.7G873 S874 Y879 Y880 T881G873-Y877 PolarHBondContact O-N 3.13Å; S874-Y877 PolarHBondContact O-N 2.89Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y880 PolarHBondContact O-N 3.07Å; Y877-T881 HydrophobicContact CD1-CG2 4.35Å; Y877-T881 HydrophobicContact CE1-CG2 3.98Å; Y877-T881 HydrophobicContact CE2-CG2 4.46Å; Y877-T881 WeakPolarHBondContact O-CG2 3.27Å; Y877-T881 PolarHBondContact O-N 3.43Å; Y877-T881 PolarHBondContact O-OG1 2.86Å
878I71.2Confident69Low104 Ų104108.3 Ų108.353%0.53358%0.583SS.*Hα-helixtrans-66.4-36175.5-68.4166.4000111.3S874 G875 T881 K882S874-I878 VanDerWaalsContact O-CG1 3.31Å; S874-I878 WeakPolarHBondContact O-CG1 3.44Å; S874-I878 PolarHBondContact O-N 3.07Å; G875-I878 PolarHBondContact O-N 3.35Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 2.66Å; I878-K882 PolarHBondContact O-N 3.29Å
879Y75.1Confident67.2Low153 Ų153111.7 Ų111.760%0.659%0.593SS**Hα-helixtrans-65.2-47.3174.2-177.1-98.9000112.1G875 V876 Y877 K882 L883G875-Y879 WeakPolarHBondContact O-CB 3.42Å; G875-Y879 PolarHBondContact O-N 3.14Å; V876-Y879 PolarHBondContact O-N 3.22Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y879-K882 PolarHBondContact O-N 3.36Å; Y879-L883 HydrophobicContact CE1-CD1 4.21Å; Y879-L883 HydrophobicContact CE2-CD1 4.5Å; Y879-L883 PolarHBondContact O-N 3.23Å
880Y69.3Low65Low144 Ų144110.1 Ų110.157%0.56560%0.597SS**Hα-helixtrans-65.9-41.6180-118.1-84.1000113V876 Y877 K882 L883 Q884V876-Y880 PolarHBondContact O-N 3.31Å; Y877-Y880 PolarHBondContact O-N 3.07Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.44Å; Y880-L883 PolarHBondContact O-N 2.8Å; Y880-L883 VanDerWaalsContact O-N 3.14Å; Y880-Q884 PolarHBondContact O-N 2.91Å; Y880-Q884 VanDerWaalsContact O-N 3.12Å
881T64.8Low62.9Low29 Ų29113.2 Ų113.218%0.17861%0.607CS.*Hα-helixtrans-65.3-36.4177.346.30000112.2Y877 I878 Q884Y877-T881 HydrophobicContact CD1-CG2 4.35Å; Y877-T881 HydrophobicContact CE1-CG2 3.98Å; Y877-T881 HydrophobicContact CE2-CG2 4.46Å; Y877-T881 WeakPolarHBondContact O-CG2 3.27Å; Y877-T881 PolarHBondContact O-N 3.43Å; Y877-T881 PolarHBondContact O-OG1 2.86Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 2.66Å; T881-Q884 PolarHBondContact O-N 2.89Å
882K61.8Low60.8Low180 Ų180114.6 Ų114.678%0.78362%0.621SS**Hα-helixtrans-64.2-37.3169.3-90.3-124.7173.4-175.50113.5I878 Y879 Y880 Q884 G885I878-K882 PolarHBondContact O-N 3.29Å; Y879-K882 PolarHBondContact O-N 3.36Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.44Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 2.67Å; K882-G885 PolarHBondContact O-N 2.68Å
883L66.1Low58.5Low118 Ų118112.9 Ų112.962%0.61863%0.63SS**Hα-helixtrans-68.8-28.1178.4-128.581.3000113Y879 Y880Y879-L883 HydrophobicContact CE1-CD1 4.21Å; Y879-L883 HydrophobicContact CE2-CD1 4.5Å; Y879-L883 PolarHBondContact O-N 3.23Å; Y880-L883 PolarHBondContact O-N 2.8Å; Y880-L883 VanDerWaalsContact O-N 3.14Å
884Q57.4Low56.3Low136 Ų136116.1 Ų116.164%0.63665%0.646SS**THydrogen-bonded Turntrans-89.67.6-179.4-70.3-173.8-19.700114.7Y880 T881 K882 K886Y880-Q884 PolarHBondContact O-N 2.91Å; Y880-Q884 VanDerWaalsContact O-N 3.12Å; T881-Q884 PolarHBondContact O-N 2.89Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 2.67Å; Q884-K886 VanDerWaalsContact C-N 3.26Å; Q884-K886 PolarHBondContact O-N 3.4Å; Q884-K886 VanDerWaalsContact O-N 3.11Å
885G57.3Low54.4Low72 Ų72123.2 Ų123.274%0.74267%0.672SS**THydrogen-bonded Turntrans67.712.1166.500000116.9K882K882-G885 PolarHBondContact O-N 2.68Å
886K54Low52.2Low174 Ų174126.2 Ų126.276%0.75769%0.687SS**  trans-94.7126.6176.2-72.7-174.8175.9-179.60111Q884Q884-K886 VanDerWaalsContact C-N 3.26Å; Q884-K886 PolarHBondContact O-N 3.4Å; Q884-K886 VanDerWaalsContact O-N 3.11Å
887S45.3Very low49.7Very low111 Ų111132.2 Ų132.278%0.77670%0.701SS**  trans-71.2137.6179.7-164.60000111.8
888L52Low47.8Very low122 Ų122129.7 Ų129.764%0.63971%0.708SS**SBendtrans-104.8116.5168.9-81.2159.9000108.1
889F39.6Very low46.2Very low181 Ų181129.5 Ų129.579%0.79471%0.713SS**  trans67.1128.4-170.2-66.9-90.4000116.3F891F889-F891 HydrophobicContact CD1-CD2 4.24Å; F889-F891 HydrophobicContact CD1-CE2 4.27Å
890G32.8Very low44.1Very low69 Ų69130.5 Ų130.571%0.71173%0.727SS**  trans-135.5129.6157.900000108.2
891F33.2Very low42.3Very low181 Ų181128.9 Ų128.979%0.79473%0.732SS**  trans-150.8150.4178.1-97.5-71000109.7F889F889-F891 HydrophobicContact CD1-CD2 4.24Å; F889-F891 HydrophobicContact CD1-CE2 4.27Å
892S36.1Very low40.9Very low129 Ų129133.4 Ų133.490%0.90276%0.759SS**  trans69.9130.4-178.9-43.20000114.5
893G34.2Very low39.4Very low75 Ų75132.9 Ų132.977%0.77376%0.76SS**  cis-162.1-167.3-4.700000109.4
894S32.9Very low38.2Very low111 Ų111131.9 Ų131.978%0.77676%0.763SS**  cis-165.8140.81.353.70000110.7
895H30.1Very low37Very low207 Ų207132.2 Ų132.296%0.95877%0.769SS**  trans-150.3163.5149.2-104.3-81.3000108.4
896S30.3Very low35.7Very low101 Ų101137.5 Ų137.571%0.70677%0.772SS**  trans-144.8149.6-159.2-151.70000114.5
897Y29.4Very low34.6Very low217 Ų217134.6 Ų134.685%0.85177%0.774SS**  trans64145.7-178.6-75.7-98.1000116.2
898S31.1Very low34.1Very low110 Ų110136.6 Ų136.677%0.76978%0.775SS**  cis-135.2163.9561.80000112.1
899P38.2Very low33.7Very low100 Ų100135.7 Ų135.765%0.64978%0.777SS**  trans-110.9156.7-158.739.8-32.7000116.2
900I30.2Very low33.3Very low173 Ų173134.4 Ų134.489%0.88778%0.777SS**  trans-135.3125.5149.1-62.6-178.5000107.3
901T32.3Very low33.3Very low110 Ų110141.4 Ų141.468%0.67578%0.784SS**  trans-152.2117.1-177.745.40000112
902V35.1Very low33.3Very low124 Ų124142 Ų14275%0.75279%0.789SS**  trans66.7162.8155.3-156.10000111.6
903E29.8Very low33.2Very low169 Ų169140.6 Ų140.679%0.7979%0.786SS**  cis-109.9165.63.5-95.172.7-147.100114.7
904S41.2Very low32.9Very low97 Ų97140.9 Ų140.968%0.67879%0.788SS**  trans-84.2136155.749.70000110.7
905D31.5Very low32.8Very low143 Ų143143 Ų14377%0.76579%0.791SS**  -173.5154.5130-104.5-17000116.7
906F30.2Very low33Very low183 Ų183137.6 Ų137.680%0.80377%0.772SS**  trans13.7121.3151-83-98.6000121.8
907S31.2Very low33.3Very low114 Ų114143.9 Ų143.980%0.79778%0.781SS**  144.6142.1117.6-66.30000115.7
908N33.8Very low33.6Very low152 Ų152140.2 Ų140.281%0.81377%0.771SS**  trans-61.9161.4165.2-136.24.9000110.5
909P44.7Very low33.7Very low103 Ų103143.7 Ų143.767%0.66977%0.769SS**  -157.9172.256.744.9-23.9000120.2
910L31.3Very low33.5Very low154 Ų154147 Ų14781%0.80678%0.775SS**  trans66.5149.7138.1-81.2163.9000124
911Y33.4Very low33.6Very low217 Ų217144.4 Ų144.485%0.85177%0.768SS**  trans-52.3149.9169.5-81.5-112.3000115.1
912E32.2Very low33.8Very low193 Ų193144 Ų14490%0.90277%0.77SS**  -158.1179.3112.8-119.2177.3-176.800113.4
913A33.2Very low34Very low100 Ų100149.7 Ų149.783%0.82679%0.793SS**  trans-40.4146-170.100000116.6
914G28.6Very low34.3Very low80 Ų80148.8 Ų148.883%0.82579%0.793SS**  112143.366.200000107.8
915D30.4Very low33.9Very low155 Ų155151.5 Ų151.583%0.82980%0.799SS**  cis-147.2-171.841.7-165.4-0.4000111.9
916T34.7Very low34Very low94 Ų94151.9 Ų151.958%0.57780%0.801SS**  trans-80146.9-163.347.90000117.4
917R37.2Very low34.3Very low233 Ų233150.1 Ų150.188%0.87980%0.801SS**  178.4105125.9-94.1156.7-173.3-153.6-1.2108.9
918E35Very low34.4Very low140 Ų140152.4 Ų152.465%0.65480%0.802SS**  78.7108.263.8-71.9-156.3158.400114.9
919Y34Very low34.5Very low184 Ų184152.4 Ų152.472%0.72280%0.801SS**  trans63.2115.3144.2-57.2-55.8000119.5
920E33.4Very low33.8Very low168 Ų168155.9 Ų155.979%0.78581%0.81SS**  89.1152.289.2-135.8-179.8-154.600109.6
921V32.5Very low33.9Very low120 Ų120156.1 Ų156.173%0.72781%0.81SS**  cis-138.3158.516.5-167.70000110.2
922S35.8Very low34Very low102 Ų102151 Ų15171%0.71381%0.807SS**  trans-62.8146169.353.70000114.9
923I41.1Very low34.2Very low243 Ų243147.2 Ų147.2100%1.24680%0.799SS**  -126.40122.2-76178.9000106.8

Retrieved 923 of 923 residues in 3959 ms (Link to these results)