X5D9G4_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession X5D9G4, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 801 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.2Very low40.9Very low258 Ų258139 Ų139100%1.27179%0.791SS**  0137.30-64.7171.5177.400107.3
2G31.6Very low42Very low69 Ų69136.6 Ų136.671%0.71179%0.785SS**  trans161.2117.3-177.600000112.4
3T32.6Very low41.1Very low134 Ų134140.6 Ų140.682%0.82279%0.793SS**  trans-173.5164.9-165.735.90000109
4P63.5Low40.6Very low102 Ų102141.3 Ų141.366%0.66279%0.792SS**  cis-146.1168.8-31.440.2-23.3000116.2
5R40.4Very low40Very low226 Ų226141.1 Ų141.185%0.85379%0.787SS**  trans62.7156.2143.6-79.9174.2170.7160.8-2.9119.9
6A34.8Very low39.3Very low84 Ų84143.6 Ų143.669%0.69479%0.788SS**  cis-151.5173.116.900000110.2
7Q35.7Very low38.8Very low147 Ų147143.5 Ų143.569%0.68779%0.785SS**  cis-163.3143-16.8-103179.7152.600107.3
8H32.3Very low38.3Very low161 Ų161144.8 Ų144.875%0.74579%0.789SS**  65144.284.2-63.8-23000116.7
9P44.7Very low37.8Very low121 Ų121145.3 Ų145.379%0.78679%0.79SS**  cis-123.3-137.418.642.5-22.6000114.8
10P45.7Very low37.4Very low111 Ų111146.4 Ų146.472%0.72179%0.794SS**  -134.6172-124.639.4-16.6000119.9
11P58.3Low37.1Very low116 Ų116144.2 Ų144.275%0.75379%0.79SS**  trans-92-168163.841.8-37.5000111.3
12P53.8Low37Very low110 Ų110137.7 Ų137.771%0.71477%0.768SS**  cis-144.2-173.212.244.7-24.6000117.5
13Q31Very low37.7Very low189 Ų189140.1 Ų140.188%0.88377%0.772SS**  170.8177.7124.7-88.2-149.87.800113.5
14L34.4Very low37.5Very low150 Ų150144.4 Ų144.479%0.78577%0.773SS**  trans-154139.3-161.1-155.686.6000115.2
15L31.1Very low35.9Very low138 Ų138147.7 Ų147.772%0.72378%0.783SS**  trans78156.4150.5-120.3129.6000123.3
16F28.9Very low35.4Very low182 Ų182145.3 Ų145.380%0.79878%0.782SS**  trans96.4152.6167.9-90.9-80.5000122.1
17L30.3Very low35.1Very low141 Ų141145 Ų14574%0.73879%0.786SS**  trans-102168.7-161.3-58.194.6000114.9
18I29.8Very low34.8Very low168 Ų168146 Ų14686%0.86280%0.796SS**  -174.1166.4117.7-95.9161000113.9
19L29.8Very low35.4Very low154 Ų154143.2 Ų143.281%0.80679%0.792SS**  trans-73.5169.5-169.9-63.4155.8000117.4
20L29.8Very low34.5Very low167 Ų167144.7 Ų144.787%0.87479%0.793SS**  trans153.7150134.5-80.3164.1000110.1
21S30.9Very low33.5Very low100 Ų100146.6 Ų146.670%0.69979%0.79SS**  cis-171.5154.3-16.647.50000111.3
22C27.5Very low32.2Very low121 Ų121147.4 Ų147.482%0.81878%0.783SS**  trans-92161.6174.1-57.90000113.8
23P46.1Very low30.9Very low121 Ų121150.6 Ų150.679%0.78679%0.789SS**  -137.6145.5106.630.8-14.9000113.1
24W29.2Very low30.7Very low223 Ų223150.2 Ų150.285%0.84579%0.787SS**  63.1113.472.9-93.360.1000116.3
25I29.6Very low30.4Very low171 Ų171151 Ų15188%0.87779%0.79SS**  trans-170.1162.4137.4-100.2159.5000109.9
26Q30.9Very low30.4Very low176 Ų176151.4 Ų151.482%0.82279%0.792SS**  trans-107162.4-168.9-57.3156.2-47.500112.4
27G27.9Very low30.6Very low77 Ų77148.6 Ų148.679%0.79479%0.792SS**  trans167.791.7165.300000119.2
28L29Very low30.4Very low168 Ų168150 Ų15088%0.8880%0.795SS**  trans-92166137.2-83.7162.1000106.7
29P44.9Very low31.1Very low103 Ų103147.5 Ų147.567%0.66979%0.79SS**  cis-151.3-162.432.937.5-11.9000116.9
30L25.9Very low30.9Very low153 Ų153144 Ų14480%0.80179%0.791SS**  trans75.4137.3163-57.5168.5000118
31K25.3Very low30.7Very low151 Ų151141.6 Ų141.666%0.65779%0.788SS**  cis113.8148.53.8-167.1-178.3179-670113.9
32E29.3Very low30.4Very low133 Ų133146.1 Ų146.162%0.62180%0.798SS**  trans70.7148-172-9664.3-104.300114
33E26.8Very low30.3Very low176 Ų176146.6 Ų146.682%0.82280%0.798SS**  cis-147.1160.58.8-152.4155.7-17800112.1
34E28.2Very low29.8Very low181 Ų181146.1 Ų146.185%0.84679%0.794SS**  trans-83.2169.6172.3-63.6173.798.300111.9
35I26.7Very low29.6Very low166 Ų166141.3 Ų141.385%0.85179%0.79SS**  trans-167.7145.7134.8-100.9151.6000111.3
36L32.6Very low29.3Very low147 Ų147139.7 Ų139.777%0.7779%0.788SS**  trans-76.7164.4-177.8-148.377.7000113
37P32.8Very low29.2Very low123 Ų123135.9 Ų135.980%0.79979%0.786SS**  -142.1146.4128.437.6-25.1000116.3
38E26.1Very low29.2Very low170 Ų170136.8 Ų136.879%0.79478%0.78SS**  trans-157.6157.3164.4-96.9-90135.400105.2
39P43.9Very low29.1Very low117 Ų117137.1 Ų137.176%0.7678%0.778SS**  cis-118.3178.5-23.836.7-22.2000111.8
40G26.5Very low28.3Very low81 Ų81136.6 Ų136.684%0.83578%0.782SS**  trans-169105.4172.300000113.7
41S23.6Very low28.3Very low116 Ų116137.1 Ų137.181%0.81178%0.784SS**  trans-90.8132-179.157.50000112.8
42E26.3Very low28.4Very low195 Ų195134.5 Ų134.591%0.91179%0.791SS**  trans-158.8126.6142.4-118.4167.2-140.100111.6
43T24.7Very low28.4Very low131 Ų131136.6 Ų136.680%0.80480%0.801SS**  trans-124.8146.8164.560.90000106.5
44P34.8Very low28.5Very low110 Ų110136 Ų13671%0.71480%0.803SS**  -153.3153.997.939-21.3000117.8
45T25.4Very low28.4Very low122 Ų122134.1 Ų134.175%0.74880%0.798SS**  trans69.2117.7139.2520000123.9
46V24.5Very low28.5Very low138 Ų138134.1 Ų134.184%0.83679%0.794SS**  79.4107.2125.9178.30000119.9
47A27Very low28.2Very low95 Ų95130.1 Ų130.179%0.78579%0.788SS**  -167.9163.2110.200000111.5
48S28.4Very low27.9Very low96 Ų96128.6 Ų128.667%0.67179%0.785SS**  trans-79.4177.3166.8550000110.6
49E27.5Very low27.9Very low176 Ų176128.6 Ų128.682%0.82279%0.79SS**  cis-166.8175.428.4-151142-107.500111.5
50A27.4Very low27.1Very low92 Ų92131.5 Ų131.576%0.7680%0.798SS**  trans58.196.9173.500000116.8
51L26.7Very low27.2Very low163 Ų163139 Ų13985%0.85380%0.801SS**  76.2110.262.1-165.8128.3000114.2
52A26.7Very low27.5Very low97 Ų97145.3 Ų145.380%0.80281%0.807SS**  trans-130.4134.3169.600000109.4
53E29.8Very low27.6Very low177 Ų177139.3 Ų139.383%0.82780%0.798SS**  trans-88.5136175.8-65.7-169.8141.800111.6
54L28Very low28.5Very low164 Ų164138.9 Ų138.986%0.85980%0.798SS**  -177.8116.9120.1-97.6163.3000109.7
55L27.7Very low28.1Very low141 Ų141141.3 Ų141.374%0.73880%0.8SS**  trans-150159.9-171.3-65.9178.3000107.8
56H28.8Very low28.1Very low166 Ų166143.6 Ų143.677%0.76980%0.804SS**  cis-154.5156.1-0.2-120.7140.8000108.6
57G25.8Very low28.2Very low63 Ų63140.7 Ų140.765%0.64980%0.802SS**  trans-119.9161.5137.900000107.7
58A26.6Very low28Very low90 Ų90146.4 Ų146.474%0.74481%0.805SS**  cis-164.2-177.9-4.400000108.4
59L26.2Very low27.9Very low170 Ų170148.5 Ų148.589%0.8981%0.808SS**  trans65.9133.9164.3-61165.9000118.6
60L26.5Very low28.3Very low179 Ų179145.5 Ų145.594%0.93780%0.804SS**  trans-137.3142.1151.2-81.2178.8000110
61R28.1Very low28.1Very low238 Ų238145 Ų14590%0.89881%0.808SS**  trans-148.9105.3172.6-146.1-175.3-165.9-153.54.8110.8
62R29.6Very low28.1Very low248 Ų248142.3 Ų142.394%0.93680%0.802SS**  trans63.7143.5170.7-64.9-177.6170.1175.5-4.7117.8
63G28.8Very low28.1Very low70 Ų70143.9 Ų143.972%0.72280%0.797SS**  trans-84.7-158.516900000112.8
64P43.5Very low28.1Very low122 Ų122146 Ų14679%0.79280%0.797SS**  -150.2-175.358.843.4-24.5000117.9
65E27.2Very low28Very low161 Ų161144.8 Ų144.875%0.75279%0.792SS**  trans77.5126.8149.4-85.5-176.6-166.700125.3
66M24.7Very low28.4Very low169 Ų169143.3 Ų143.383%0.83379%0.791SS**  trans54.4116143.3-72.4-169-8800123.2
67G26.5Very low28.3Very low78 Ų78140.5 Ų140.580%0.80479%0.786SS**  trans-160.1142156.300000110.3
68Y24.1Very low28.6Very low214 Ų214145.2 Ų145.284%0.83980%0.795SS**  trans-127.1134.6-161.1-140-128.4000113.2
69L26.3Very low28.5Very low140 Ų140145.7 Ų145.773%0.73380%0.799SS**  trans70.6165.4160.4-56.6173.2000118.7
70P34.3Very low28.6Very low114 Ų114143.3 Ų143.374%0.7479%0.792SS**  -141.1148.3-53.339.3-23.8000116.1
71G24.9Very low29.5Very low82 Ų82140.4 Ų140.485%0.84578%0.783SS**  trans59.8125.4133.700000123.1
72S26.1Very low30.2Very low105 Ų105135 Ų13573%0.73478%0.779SS**  trans-152.7160.4132.8-165.10000110.2
73D26.1Very low30.3Very low131 Ų131128 Ų12870%0.70178%0.775SS**  trans73.8145166.8-66.58.7000117.6
74R29.2Very low30.3Very low220 Ų220127.8 Ų127.883%0.8377%0.772SS**  cis173.8102.7-30.9-114.6171.7137.6179.9-5.2104.8
75D26.8Very low29.6Very low139 Ų139131.6 Ų131.674%0.74378%0.78SS**  trans-56.3149.7166.7-142.6-36.7000109.9T77D75-T77 PolarHBondContact OD1-N 3.16Å
76P35.3Very low29.7Very low111 Ų111130.3 Ų130.372%0.72178%0.783SS**  -147.3111.8102.535.6-17.9000116.8
77T28.4Very low29.8Very low107 Ų107130.2 Ų130.266%0.65679%0.785SS**  55.598.7126.562.70000119.3D75D75-T77 PolarHBondContact OD1-N 3.16Å
78L31.4Very low29.8Very low162 Ų162130.9 Ų130.985%0.84878%0.782SS**  43.6119.8111-165.380.2000119.7
79A25.5Very low30.1Very low100 Ų100127.2 Ų127.283%0.82678%0.782SS**  trans-148.6109.3154.800000113.5
80T28.1Very low30.4Very low120 Ų120126.1 Ų126.174%0.73678%0.783SS**  trans-125.3178.1157.8570000106.7
81P44.7Very low30.1Very low117 Ų117125.6 Ų125.676%0.7678%0.783SS**  cis-127.3-139.25.742.2-19.5000108.6
82P43Very low30.4Very low124 Ų124128.5 Ų128.581%0.80578%0.778SS**  cis-126.9-170.9-3.541.7-22.1000115.5
83A31.5Very low30.6Very low102 Ų102129.5 Ų129.584%0.84378%0.782SS**  trans-112163.8-165.400000115.2
84G28.9Very low30.7Very low65 Ų65134.1 Ų134.167%0.6779%0.789SS**  trans105104.3139.700000118.2
85Q28.8Very low30.6Very low203 Ų203127.1 Ų127.195%0.94978%0.779SS**  trans-160142.3141.1-118.6150.4103.100112.4
86T29.7Very low30.6Very low133 Ų133127.6 Ų127.682%0.81679%0.787SS**  trans-101.2142.2177.7-460000109.4
87L27.3Very low30.3Very low168 Ų168130.9 Ų130.988%0.8879%0.793SS**  trans-176.3134.8143.5-105.2162.5000115.3
88A24.9Very low30.6Very low91 Ų91132.2 Ų132.275%0.75280%0.803SS**  trans67.2151146.200000122.2
89V32.1Very low30.3Very low137 Ų137127.7 Ų127.783%0.8380%0.795SS**  trans-127.2140.3178.4172.90000109.1
90P32.1Very low30.4Very low118 Ų118129.8 Ų129.877%0.76680%0.798SS**  trans-136.8151.113935.5-22.7000111.1
91S26.9Very low30.2Very low103 Ų103127.7 Ų127.772%0.7280%0.801SS**  cis169.7152-13.947.70000105.1
92L31.4Very low30.4Very low142 Ų142127.6 Ų127.674%0.74380%0.8SS**  trans-62.5166.3-174.9-123.873.5000114.8R94L92-R94 HydrophobicContact CD2-CB 4.19Å; L92-R94 HydrophobicContact CD2-CG 4.02Å
93P31.2Very low29.6Very low127 Ų127128.6 Ų128.683%0.82580%0.797SS**  -131.1143.5102.637-30.2000116.1
94R26.8Very low29.4Very low227 Ų227129.7 Ų129.786%0.85779%0.794SS**  trans-87.2170.6156.8-109.3-174.9151.2153.4-10107.9L92L92-R94 HydrophobicContact CD2-CB 4.19Å; L92-R94 HydrophobicContact CD2-CG 4.02Å
95A28.5Very low29.3Very low74 Ų74133 Ų13361%0.61280%0.801SS**  cis-168.9166.7-6.800000107.5
96T26.2Very low29.3Very low148 Ų148127.7 Ų127.791%0.90879%0.792SS**  trans-160.4151.5139.411.60000112.2
97E30.1Very low29.1Very low181 Ų181127.8 Ų127.885%0.84679%0.792SS**  trans-87.1-178.5169.6-58177.1148.800110.8
98P33.5Very low29.2Very low135 Ų135125.6 Ų125.688%0.87779%0.786SS**  -142.9167.8105.839.6-28.3000114.9
99G24.9Very low30.2Very low66 Ų66126.1 Ų126.168%0.6878%0.782SS**  trans-157.1166.1171.200000115.9
100T27.6Very low30Very low145 Ų145127.2 Ų127.289%0.8978%0.783SS**  trans81.776.7150.4-40.50000121.2
101G25.3Very low29.8Very low76 Ų76125.2 Ų125.278%0.78478%0.784SS**  trans61.7-163136.700000120.3
102P48Very low30Very low115 Ų115127.8 Ų127.875%0.74780%0.795SS**  cis-139.8-169.2-8.836.2-14.4000115.9
103L26.1Very low29.9Very low144 Ų144132.9 Ų132.975%0.75480%0.804SS**  trans96.8103154.1-65164.8000123.2
104T27.1Very low29.7Very low125 Ų125130.6 Ų130.677%0.76780%0.803SS**  trans70.5151.513159.40000121.3
105T27.9Very low29.8Very low135 Ų135124.9 Ų124.983%0.82881%0.805SS**  cis-129.4168.911.948.60000114.1
106A27.6Very low29.7Very low91 Ų91124.6 Ų124.675%0.75281%0.809SS**  trans-103.4-161.9169.300000111
107V26.3Very low31.3Very low135 Ų135123.2 Ų123.282%0.81880%0.803SS**  cis-148.9171.632.6-174.80000111.3
108T28.7Very low31.2Very low123 Ų123121.1 Ų121.176%0.75580%0.802SS**  trans-82.8-156.8175.554.90000111.8
109P45.2Very low31Very low101 Ų101118.9 Ų118.966%0.65680%0.796SS**  cis-147.4177.8043.2-21.9000120.3
110N28.6Very low32Very low161 Ų161121 Ų12186%0.86180%0.797SS**  trans55.5123.8142.6-65-5.8000124.6
111G28.2Very low32Very low76 Ų76122.6 Ų122.678%0.78479%0.794SS**  trans-89.8-157166.100000116.8
112V30Very low32.5Very low156 Ų156126 Ų12695%0.94579%0.794SS**  trans-164.4170.1169.4131.20000111.6
113R29.5Very low31.4Very low249 Ų249128.4 Ų128.494%0.9480%0.8SS**  trans-81.1159.7-166.9-54.2170.3176.4172.1-3.8116.6
114G28.1Very low32Very low79 Ų79127.2 Ų127.281%0.81480%0.798SS**  trans-168.4144.3163.300000114.5
115A28.1Very low32.5Very low107 Ų107126.9 Ų126.988%0.88480%0.799SS**  trans-71.1167.2-16900000117.8
116G26.2Very low33.5Very low68 Ų68126.1 Ų126.170%0.70180%0.796SS**  trans-98.6-158.1160.500000112.3
117P60.8Low35Very low119 Ų119127.9 Ų127.977%0.77380%0.8SS**  cis-130-146.54.342.6-24.1000112.9
118T27.5Very low35.4Very low137 Ų137124.6 Ų124.684%0.8479%0.793SS**  trans101.6146.1165.970.20000119.7
119A30.5Very low35.6Very low89 Ų89125 Ų12574%0.73680%0.795SS**  trans-110.6-177.9165.200000107.3
120P44.9Very low35.1Very low109 Ų109126 Ų12671%0.70880%0.8SS**  cis-147.7-165.721.641.2-17.4000117.2
121E28.5Very low35.2Very low179 Ų179122.8 Ų122.884%0.83680%0.796SS**  trans81.9165.2143.9-97.5180107.500124
122L34.2Very low35.8Very low148 Ų148125 Ų12578%0.77580%0.796SS**  trans-73.6157.6-171.5-82.258.9000113.3
123L26.5Very low36.6Very low165 Ų165123 Ų12386%0.86479%0.787SS**  -172.6170.7113.8-100.2165.4000113.8
124T37.9Very low38Very low119 Ų119116.7 Ų116.773%0.7378%0.778SS**  trans-90.3157.2-17048.70000115.1
125P37.6Very low38.2Very low119 Ų119118.9 Ų118.977%0.77378%0.778SS**  trans-98.9164.1155.836.5-30.5000113
126P49Very low38.6Very low119 Ų119119.1 Ų119.177%0.77377%0.773SS**  trans-127.3-149-155.548.6-31.1000113.3
127P59.1Low40.1Very low127 Ų127122.1 Ų122.183%0.82578%0.78SS**  -134-178.3-123.634.4-9.1000118
128G35.4Very low38.5Very low66 Ų66121 Ų12168%0.6878%0.781SS**  trans102.8158.6166.400000115.4
129T33.1Very low38.9Very low131 Ų131120.2 Ų120.280%0.80478%0.781SS**  cis-167.9153.1-2.943.70000109.1
130T33.1Very low40.1Very low123 Ų123122.3 Ų122.376%0.75579%0.787SS**  cis-173.5143.9-15.529.20000109.6
131A30.8Very low39.2Very low94 Ų94120.7 Ų120.778%0.77779%0.79SS**  trans68.1165.5143.700000120.8
132P40.2Very low40.1Very low122 Ų122118.1 Ų118.179%0.79279%0.789SS**  cis-128.1-141.3-3532.5-9.6000112.3
133P47.8Very low41Very low115 Ų115116 Ų11675%0.74778%0.784SS**  -123.5-173.9-104.643.3-24.2000114.9
134P58.4Low41.1Very low115 Ų115116.3 Ų116.375%0.74779%0.786SS**  trans-106.9-170-163.842.8-36.8000114.7
135P32.8Very low40.6Very low126 Ų126113.8 Ų113.882%0.81878%0.783SS**  trans-129.8151.4141.938-27.6000115.2
136S36.1Very low41Very low111 Ų111113.5 Ų113.578%0.77678%0.781SS**  trans-154.3176.5167.4-41.70000107.6
137P58Low40Very low132 Ų132116.5 Ų116.586%0.85779%0.785SS**  cis-122.9-171.9-27.939.8-25000111.3
138A27.1Very low38.6Very low95 Ų95114.3 Ų114.379%0.78579%0.785SS**  trans-151.6135.716600000114.4
139S36.4Very low38.4Very low121 Ų121114.8 Ų114.885%0.84679%0.79SS**  trans178.4165172.6-80.20000108.1
140P54.4Low38.2Very low133 Ų133117.8 Ų117.886%0.86480%0.795SS**  cis-127.6-174.8-10.640.8-25.2000113.6
141G26.7Very low38.1Very low74 Ų74120.9 Ų120.976%0.76380%0.801SS**  trans161.5120.5162.300000118.7
142P46.8Very low38.2Very low125 Ų125124.5 Ų124.581%0.81280%0.802SS**  trans-114.7-159168.444.9-34.5000110.9
143P54.5Low37.6Very low104 Ų104125.1 Ų125.168%0.67580%0.803SS**  cis-134.3-159.3-10.333-8.4000114.5
144L28.1Very low37.1Very low172 Ų172125.8 Ų125.890%0.90181%0.805SS**  trans80.2146.4168.3-48.1174.9000116.7
145G27Very low35.9Very low65 Ų65126.7 Ų126.767%0.6781%0.809SS**  cis-161.1179.73.500000113.9
146P46.4Very low35.9Very low113 Ų113125.9 Ų125.973%0.73480%0.802SS**  trans-84.9-170.6-154.839.4-41.9000115.2
147E28.3Very low35.7Very low183 Ų183127.5 Ų127.586%0.85580%0.8SS**  cis-166.1163.627.3-152.7139.779.800115
148G28.6Very low34.8Very low80 Ų80128 Ų12883%0.82579%0.794SS**  trans89.8138.5169.100000117
149G31Very low35Very low76 Ų76128.4 Ų128.478%0.78479%0.787SS**  cis131.2135.2000000111.7
150E29.8Very low34.9Very low195 Ų195128.3 Ų128.391%0.91178%0.782SS**  cis-153171-1.1-70.1-176110.800111.6
151E31.7Very low33.8Very low188 Ų188126.7 Ų126.788%0.87977%0.769SS**  trans71.1165.4157.8-103.7-179.2178.900123.4
152E32Very low34.2Very low170 Ų170129 Ų12979%0.79477%0.768SS**  trans-84.4152.4-148.2-56.5-178.7124.800116.3
153T28Very low33.4Very low135 Ų135127.8 Ų127.883%0.82876%0.759SS**  trans-142.2111148.812.40000111.4T155T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 VanDerWaalsContact O-N 3.16Å
154T37Very low32.4Very low128 Ų128128.2 Ų128.279%0.78576%0.76SS**  trans-55.6114.8178-53.70000111.8
155T33.4Very low32.4Very low134 Ų134125.1 Ų125.182%0.82275%0.748SS**  trans-102.8111.9164.2-57.80000108.4T153 I157T153-T155 PolarHBondContact O-N 3.47Å; T153-T155 VanDerWaalsContact O-N 3.16Å; T155-I157 PolarHBondContact O-N 3.01Å
156T32.1Very low32.7Very low110 Ų110127.4 Ų127.468%0.67575%0.749SS**  trans-60.1125.1-169.5-26.30000111.6I158T156-I158 PolarHBondContact O-N 3.38Å
157I33.5Very low31.8Very low145 Ų145127.8 Ų127.874%0.74475%0.749SS**  trans-63.3110.1159.4-59176.7000105.8T155 T159T155-I157 PolarHBondContact O-N 3.01Å; I157-T159 HydrophobicContact CG2-CG2 4.07Å; I157-T159 PolarHBondContact O-N 3.1Å
158I38.4Very low32.1Very low143 Ų143125 Ų12573%0.73375%0.745SS**  trans-72.782.8166.4-55.9178.6000106.2T156 T160T156-I158 PolarHBondContact O-N 3.38Å; I158-T160 VanDerWaalsContact C-N 3.26Å; I158-T160 HydrophobicContact CG2-CG2 4.19Å; I158-T160 PolarHBondContact O-N 3.34Å
159T31.9Very low32.5Very low102 Ų102125.1 Ų125.163%0.62673%0.733SS**  trans-59.3101.2154.3490000105.6I157 T161I157-T159 HydrophobicContact CG2-CG2 4.07Å; I157-T159 PolarHBondContact O-N 3.1Å; T159-T161 PolarHBondContact O-N 2.75Å
160T33.2Very low33.2Very low120 Ų120125.8 Ų125.874%0.73672%0.723SS**  trans-66.774.5155.350.90000106.4I158 T162I158-T160 VanDerWaalsContact C-N 3.26Å; I158-T160 HydrophobicContact CG2-CG2 4.19Å; I158-T160 PolarHBondContact O-N 3.34Å; T160-T162 VanDerWaalsContact C-N 3.33Å; T160-T162 PolarHBondContact O-N 2.91Å
161T32.5Very low34.3Very low99 Ų99118.7 Ų118.761%0.60769%0.693SS**  trans-52.2108.3162.2-52.50000104.2T159 V163T159-T161 PolarHBondContact O-N 2.75Å; T161-V163 HydrophobicContact CG2-CG2 4.11Å; T161-V163 PolarHBondContact O-N 3.24Å
162T34.2Very low35.7Very low121 Ų121114.7 Ų114.774%0.74268%0.678SS**  trans-65.484.8163.745.50000105.2T160 T164T160-T162 VanDerWaalsContact C-N 3.33Å; T160-T162 PolarHBondContact O-N 2.91Å; T162-T164 PolarHBondContact O-N 3.22Å
163V30.7Very low37.7Very low101 Ų101108.9 Ų108.961%0.61266%0.655SS**  trans-61.888156.8-177.70000103.4T161 T165T161-V163 HydrophobicContact CG2-CG2 4.11Å; T161-V163 PolarHBondContact O-N 3.24Å; V163-T165 HydrophobicContact CG1-CG2 3.95Å; V163-T165 PolarHBondContact O-N 3.02Å
164T32.3Very low40.1Very low112 Ų112107.3 Ų107.369%0.68764%0.642SS**  trans-51.494.9147.244.70000104.1T162 T166T162-T164 PolarHBondContact O-N 3.22Å; T164-T166 PolarHBondContact O-N 3.34Å
165T29.2Very low42.1Very low107 Ų107104.4 Ų104.466%0.65662%0.621SS**  trans-63.488.816247.20000104.5V163 V167V163-T165 HydrophobicContact CG1-CG2 3.95Å; V163-T165 PolarHBondContact O-N 3.02Å; T165-V167 PolarHBondContact O-N 3.16Å
166T33Very low44.6Very low113 Ų113102.4 Ų102.469%0.69361%0.605SS**  trans-49.687.3141.450.20000104.7T164 T168T164-T166 PolarHBondContact O-N 3.34Å; T166-T168 PolarHBondContact O-N 3.34Å
167V27.6Very low47.2Very low121 Ų12198 Ų9873%0.73358%0.577SS**  trans-61.796.2159.11760000102T165 S169T165-V167 PolarHBondContact O-N 3.16Å; V167-S169 PolarHBondContact O-N 2.82Å
168T34.6Very low49.7Very low126 Ų12695.1 Ų95.177%0.77357%0.57SS**  trans-66.380.6170.5210000106.1T166T166-T168 PolarHBondContact O-N 3.34Å
169S35.8Very low51.7Low82 Ų8294.7 Ų94.757%0.57357%0.565SS**  trans-44.2127.2154.548.40000106.2V167 V171V167-S169 PolarHBondContact O-N 2.82Å; S169-V171 PolarHBondContact O-N 3.37Å; S169-V171 VanDerWaalsContact O-N 3.13Å
170P45.9Very low53.9Low89 Ų8991.4 Ų91.458%0.57855%0.552SS**  trans-54.4127.9179.824.3-33.7000107.6L172P170-L172 WeakPolarHBondContact O-CG 3.35Å; P170-L172 PolarHBondContact O-N 2.88Å
171V53.8Low56.5Low47 Ų4790.3 Ų90.329%0.28554%0.538SS..  trans-57.5103.9-174.8175.10000108.4S169 C173 E185 Y204S169-V171 PolarHBondContact O-N 3.37Å; S169-V171 VanDerWaalsContact O-N 3.13Å; V171-C173 PolarHBondContact O-N 2.03Å; V171-C173 VanDerWaalsContact O-N 3.16Å; V171-E185 HydrophobicContact CG1-CB 4.49Å; V171-E185 WeakPolarHBondContact CG1-O 3.4Å; V171-E185 HydrophobicContact CG2-CB 4.42Å; V171-Y204 HydrophobicContact CG1-CE1 4.3Å; V171-Y204 WeakPolarHBondContact CG1-OH 3.4Å
172L61.8Low59.2Low104 Ų10486.2 Ų86.255%0.54552%0.516SS..  trans-75.3109.5-170.3-76.1174.7000109.1P170 N174 N175 Y204P170-L172 WeakPolarHBondContact O-CG 3.35Å; P170-L172 PolarHBondContact O-N 2.88Å; L172-N174 PolarHBondContact O-N 2.96Å; L172-N175 HydrophobicContact CB-CB 4.02Å; L172-N175 VanDerWaalsContact O-CB 3.31Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-N 3.15Å; L172-Y204 VanDerWaalsContact O-CE1 3.31Å; L172-Y204 WeakPolarHBondContact O-CE1 3.39Å
173C72.7Confident61.8Low48 Ų4886.3 Ų86.332%0.32450%0.503SS..THydrogen-bonded Turntrans-51.9133.7160.5-172.70000109.1V171 P187 D201 C202V171-C173 PolarHBondContact O-N 2.03Å; V171-C173 VanDerWaalsContact O-N 3.16Å; C173-P187 HydrophobicContact CB-CG 4.38Å; C173-D201 PolarHBondContact SG-O 3.19Å; C173-C202 HydrophobicContact CB-CB 4.05Å; C173-C202 WeakPolarHBondContact CB-SG 3.3Å; C173-C202 WeakPolarHBondContact SG-CA 3.32Å; C173-C202 WeakPolarHBondContact SG-CB 3.26Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.83Å
174N77.8Confident64.5Low102 Ų10281.7 Ų81.755%0.54548%0.475SS..THydrogen-bonded Turntrans62.938.7-173.9-58.9-18.6000115.3L172 C202 T203L172-N174 PolarHBondContact O-N 2.96Å; N174-C202 WeakPolarHBondContact OD1-CA 3.14Å; N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 2.97Å
175N79.6Confident67Low67 Ų6779.1 Ų79.136%0.35846%0.455SS..  trans-79.8146.1172.6-163.117.9000113.1L172 I177 Y204 S205L172-N175 HydrophobicContact CB-CB 4.02Å; L172-N175 VanDerWaalsContact O-CB 3.31Å; L172-N175 WeakPolarHBondContact O-CB 3.28Å; L172-N175 PolarHBondContact O-N 3.15Å; N175-I177 HydrophobicContact CB-CG1 4.44Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-Y204 WeakPolarHBondContact O-CA 3.21Å; N175-S205 PolarHBondContact O-N 2.85Å; N175-S205 VanDerWaalsContact O-N 3.08Å
176N85.9Confident69.3Low91 Ų9175.2 Ų75.249%0.48743%0.432SS..EExtended strand (participates in β ladder)trans-113.2110.6177-177.352.3000109.6S205 H207N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 PolarHBondContact OD1-O 3.06Å; N176-S205 VanDerWaalsContact OD1-O 3.1Å; N176-S205 PolarHBondContact OD1-OG 2.9Å; N176-H207 PolarHBondContact ND2-CE1 2.03Å; N176-H207 PolarHBondContact ND2-NE2 2.84Å; N176-H207 PolarHBondContact OD1-CE1 2.81Å; N176-H207 VanDerWaalsContact OD1-CE1 3.24Å; N176-H207 PolarHBondContact OD1-ND1 2.68Å
177I86.5Confident71.3Confident17 Ų1770.7 Ų70.79%0.08741%0.405CS..EExtended strand (participates in β ladder)trans-108.2122.3-161.5-61.3171.3000109.9N175 V184 S205 I206 H207 Y283N175-I177 HydrophobicContact CB-CG1 4.44Å; I177-V184 HydrophobicContact CD1-CG2 3.76Å; I177-S205 PolarHBondContact N-O 3.49Å; I177-I206 HydrophobicContact CB-CG1 4.33Å; I177-I206 HydrophobicContact CD1-CG1 4.42Å; I177-I206 CarbonylContact O-C 3.51Å; I177-I206 WeakPolarHBondContact O-CA 3.18Å; I177-H207 PolarHBondContact O-CE1 2.91Å; I177-H207 PolarHBondContact O-N 3.48Å; I177-H207 PolarHBondContact O-ND1 3.18Å; I177-Y283 HydrophobicContact CG2-CE1 4.07Å; I177-Y283 HydrophobicContact CG2-CE2 4.07Å; I177-Y283 VanDerWaalsContact CG2-CZ 3.49Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.37Å
178S85.4Confident72.9Confident85 Ų8571.6 Ų71.659%0.59441%0.406SS*.  trans-120.812.1-176.667.90000113.9
179E81.7Confident73.8Confident134 Ų13467.9 Ų67.963%0.62638%0.381SS*.  trans-81.4151.3179.5-64.2175.615800110E181 Y283E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 2.97Å; E179-Y283 WeakPolarHBondContact O-CE2 3.45Å
180G77.3Confident74.5Confident33 Ų3366.9 Ų66.934%0.3438%0.384SS..SBendtrans-73.6-19.4-176.300000114.1G285G180-G285 WeakPolarHBondContact O-CA 3.03Å; G180-G285 PolarHBondContact O-N 2.86Å
181E88.3Confident74.6Confident98 Ų9864.7 Ų64.746%0.45837%0.37SS..EExtended strand (participates in β ladder)trans-157.7146.4176.6-172.9179.215200109.7E179 H282 Y283 Q284E179-E181 VanDerWaalsContact C-N 3.31Å; E179-E181 PolarHBondContact O-N 2.97Å; E181-H282 WeakPolarHBondContact CG-NE2 3Å; E181-H282 IonicContact OE1-CE1 3.17Å; E181-H282 PolarHBondContact OE1-CE1 3.2Å; E181-H282 IonicContact OE1-NE2 2.81Å; E181-H282 PolarHBondContact OE1-NE2 3.37Å; E181-Y283 WeakPolarHBondContact CA-O 3.46Å; E181-Y283 WeakPolarHBondContact CG-O 3.38Å; E181-Q284 HydrophobicContact CB-CG 4.26Å; E181-Q284 HydrophobicContact CG-CB 4.35Å; E181-Q284 HydrophobicContact CG-CG 3.95Å; E181-Q284 PolarHBondContact OE2-NE2 2.97Å
182G89.1Confident74.3Confident13 Ų1367.6 Ų67.613%0.13439%0.39CS..EExtended strand (participates in β ladder)trans174.4-155.6171.700000114H282 Y283G182-H282 WeakPolarHBondContact O-CA 3.5Å; G182-H282 PolarHBondContact O-CD2 2.84Å; G182-H282 VanDerWaalsContact O-CD2 3.24Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.43Å; G182-Y283 VanDerWaalsContact N-CZ 3.34Å; G182-Y283 PolarHBondContact N-O 2.92Å; G182-Y283 VanDerWaalsContact O-CD1 3.29Å; G182-Y283 WeakPolarHBondContact O-CD1 3.33Å; G182-Y283 PolarHBondContact O-N 3.09Å
183Y87.9Confident73.6Confident123 Ų12368.1 Ų68.148%0.48240%0.398SS..EExtended strand (participates in β ladder)trans-127.6138.6-178.2-59.3-82.4000111.3R280 I281 H282Y183-R280 HydrophobicContact CD1-CG 4.19Å; Y183-I281 CarbonylContact C-O 3.56Å; Y183-I281 WeakPolarHBondContact CA-O 3.06Å; Y183-H282 HydrophobicContact CD1-CB 3.92Å; Y183-H282 HydrophobicContact CE1-CB 3.67Å; Y183-H282 AromaticContact CE1-CD2 3.41Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.41Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.82Å; Y183-H282 AromaticContact CZ-CD2 3.57Å
184V88.3Confident72.4Confident3 Ų367.8 Ų67.82%0.01840%0.396CS..EExtended strand (participates in β ladder)trans-110.4129.1165-173.10000108.3I177 Y204 I206 L266 F279 I281 Y283I177-V184 HydrophobicContact CD1-CG2 3.76Å; V184-Y204 HydrophobicContact CG1-CD1 3.7Å; V184-Y204 HydrophobicContact CG1-CD2 3.69Å; V184-Y204 HydrophobicContact CG1-CE1 3.91Å; V184-Y204 HydrophobicContact CG1-CE2 3.89Å; V184-Y204 HydrophobicContact CG1-CG 3.57Å; V184-I206 HydrophobicContact CG2-CD1 4.02Å; V184-I206 HydrophobicContact CG2-CG1 4.48Å; V184-L266 HydrophobicContact CB-CD1 4.06Å; V184-L266 HydrophobicContact CG1-CD1 4.13Å; V184-L266 HydrophobicContact CG2-CD1 4.08Å; V184-F279 HydrophobicContact CG1-CE2 4.07Å; V184-I281 PolarHBondContact N-O 2.8Å; V184-I281 PolarHBondContact O-N 2.81Å; V184-Y283 HydrophobicContact CG2-CD1 3.89Å; V184-Y283 HydrophobicContact CG2-CE1 4.18Å
185E84.7Confident71.1Confident58 Ų5871.8 Ų71.827%0.27140%0.403SS..EExtended strand (participates in β ladder)trans-123.4159.7-177.4-58-170.8174.700111.2V171 Y204 F279 R280V171-E185 HydrophobicContact CG1-CB 4.49Å; V171-E185 WeakPolarHBondContact CG1-O 3.4Å; V171-E185 HydrophobicContact CG2-CB 4.42Å; E185-Y204 PolarHBondContact O-OH 3.05Å; E185-F279 VanDerWaalsContact CA-O 3.3Å; E185-F279 WeakPolarHBondContact CA-O 3.28Å; E185-R280 HydrophobicContact CG-CB 4.46Å; E185-R280 HydrophobicContact CG-CG 4.27Å; E185-R280 IonicContact OE1-CZ 2.72Å; E185-R280 IonicContact OE1-NE 3.92Å; E185-R280 PolarHBondContact OE1-NE 2.71Å; E185-R280 IonicContact OE1-NH2 3.7Å; E185-R280 PolarHBondContact OE1-NH2 3.27Å; E185-R280 IonicContact OE2-NH2 3.66Å; E185-R280 PolarHBondContact OE2-NH2 2.75Å
186S78.4Confident69.7Low25 Ų2574.2 Ų74.218%0.17542%0.421CS..PPolyproline II helixtrans-64.3138.2166.345.70000111.2D188 G278 F279S186-D188 PolarHBondContact O-N 2.85Å; S186-G278 WeakPolarHBondContact OG-CA 3.42Å; S186-F279 PolarHBondContact N-O 3.49Å; S186-F279 VanDerWaalsContact N-O 3.09Å; S186-F279 PolarHBondContact OG-N 3.39Å
187P73.4Confident68.2Low18 Ų1876 Ų7612%0.11743%0.43CS..PPolyproline II helixtrans-61122.5-176.9-24.834.8000114C173 L200 Y204C173-P187 HydrophobicContact CB-CG 4.38Å; P187-L200 HydrophobicContact CB-CD2 4.44Å; P187-L200 HydrophobicContact CG-CD2 4.2Å; P187-Y204 WeakPolarHBondContact CD-OH 3.37Å; P187-Y204 WeakPolarHBondContact CG-OH 3.28Å
188D62.2Low66.7Low141 Ų14177.8 Ų77.875%0.75445%0.453SS*.PPolyproline II helixtrans-85.6127-171.8-155.93.2000112.9S186 G190S186-D188 PolarHBondContact O-N 2.85Å; D188-G190 PolarHBondContact O-N 2.84Å; D188-G190 VanDerWaalsContact O-N 3.08Å
189L52.7Low65.7Low47 Ų4778 Ų7825%0.24645%0.446CS..THydrogen-bonded Turntrans-83.315.4-159.7-80.2156.3000115.4S191 V273 P274L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.89Å; L189-V273 HydrophobicContact CD1-CG1 3.46Å; L189-V273 VanDerWaalsContact CD1-CG1 3.46Å; L189-V273 HydrophobicContact CD2-CG1 4.03Å; L189-V273 HydrophobicContact CG-CG1 4.33Å; L189-P274 HydrophobicContact CD1-CB 4.26Å; L189-P274 HydrophobicContact CD1-CG 3.76Å
190G50.6Low65.3Low62 Ų6272.9 Ų72.964%0.63942%0.423SS*.THydrogen-bonded Turntrans-64.6-29.9173.300000113.7D188D188-G190 PolarHBondContact O-N 2.84Å; D188-G190 VanDerWaalsContact O-N 3.08Å
191S48.6Very low65.5Low42 Ų4274.2 Ų74.229%0.29442%0.423SS..SBendtrans-68.2136.2-173.3-177.60000113.5L189 V193L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.89Å; S191-V193 PolarHBondContact O-N 3.07Å
192P46.9Very low65.3Low108 Ų10869.6 Ų69.670%0.70140%0.401SS*.G310 helixtrans-67.1-16.4-179.427.8-35.7000114.2
193V48.7Very low65.2Low115 Ų11571 Ų7170%0.69741%0.407SS*.G310 helixtrans-73.8-30.6-176.6-175.30000112.4S191 R195 T196S191-V193 PolarHBondContact O-N 3.07Å; V193-R195 PolarHBondContact O-N 3.32Å; V193-T196 PolarHBondContact O-OG1 2.84Å
194S46.9Very low65.2Low41 Ų4165.3 Ų65.329%0.28739%0.385SS..G310 helixtrans-89.310.6-167-161.40000115.2
195R49.3Very low65.2Low186 Ų18666.9 Ų66.970%0.70240%0.395SS*.G310 helixtrans-93.26.2-173-56.8-173.7-171.1-1794.4114.6V193V193-R195 PolarHBondContact O-N 3.32Å
196T50.1Low65.4Low119 Ų11964.1 Ų64.173%0.7338%0.383SS*.SBendtrans-117-11-169.948.40000114.5V193V193-T196 PolarHBondContact O-OG1 2.84Å
197L54.4Low65.9Low128 Ų12865.5 Ų65.567%0.6739%0.386SS*.  trans-111.3126.3-179.4-70.3167000109.6
198G55Low66.6Low55 Ų5565.3 Ų65.357%0.56739%0.385SS*.SBendtrans-79.1-20.7-178.600000114.2P271 R272G198-P271 CarbonylContact O-C 3.58Å; G198-P271 VanDerWaalsContact O-C 3.25Å; G198-R272 VanDerWaalsContact O-CA 3.29Å; G198-R272 WeakPolarHBondContact O-CA 3.31Å; G198-R272 PolarHBondContact O-N 2.76Å
199L64.5Low67.6Low89 Ų8966.6 Ų66.647%0.46638%0.38SS..  trans-124.1135.6178.2-179.1149.4000108.7D201 S270 P271L199-D201 HydrophobicContact CD2-CB 4.03Å; L199-S270 WeakPolarHBondContact CA-O 3.03Å; L199-P271 HydrophobicContact CD1-CB 4.48Å
200L74.9Confident69Low26 Ų2667.6 Ų67.614%0.13639%0.389CS..EExtended strand (participates in β ladder)trans-114.3120.4179.2-17668.5000108.1P187 F268 Q269 S270P187-L200 HydrophobicContact CB-CD2 4.44Å; P187-L200 HydrophobicContact CG-CD2 4.2Å; L200-F268 HydrophobicContact CD2-CE1 4.17Å; L200-Q269 WeakPolarHBondContact O-CA 3.44Å; L200-S270 PolarHBondContact N-O 2.93Å; L200-S270 PolarHBondContact O-N 3.48Å
201D81.1Confident70.2Confident62 Ų6264.8 Ų64.833%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-127.3113178.2-172.1-56.1000107.6C173 L199 H267 Q269C173-D201 PolarHBondContact SG-O 3.19Å; L199-D201 HydrophobicContact CD2-CB 4.03Å; D201-H267 IonicContact OD1-CE1 3.44Å; D201-H267 PolarHBondContact OD1-CE1 2.83Å; D201-H267 IonicContact OD1-ND1 2.71Å; D201-H267 IonicContact OD2-CE1 3.53Å; D201-H267 PolarHBondContact OD2-CE1 2.89Å; D201-H267 IonicContact OD2-NE2 2.67Å; D201-Q269 PolarHBondContact OD2-NE2 3.29Å
202C83.6Confident71.8Confident0 Ų067 Ų670%036%0.363CS..EExtended strand (participates in β ladder)trans-131.7117.2-172.1-60.20000111.1C173 N174 Y204 F268C173-C202 HydrophobicContact CB-CB 4.05Å; C173-C202 WeakPolarHBondContact CB-SG 3.3Å; C173-C202 WeakPolarHBondContact SG-CA 3.32Å; C173-C202 WeakPolarHBondContact SG-CB 3.26Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.83Å; N174-C202 WeakPolarHBondContact OD1-CA 3.14Å; C202-Y204 HydrophobicContact CB-CE2 4.13Å; C202-F268 PolarHBondContact N-O 3.2Å; C202-F268 PolarHBondContact O-N 2.93Å
203T86.2Confident73.6Confident42 Ų4261.8 Ų61.826%0.25833%0.33SS..EExtended strand (participates in β ladder)trans-112.7102.8177.8-55.60000109.9N174 L265 L266 H267N174-T203 WeakPolarHBondContact CA-O 3.43Å; N174-T203 PolarHBondContact OD1-N 2.97Å; T203-L265 HydrophobicContact CG2-CB 4.49Å; T203-L265 HydrophobicContact CG2-CD2 4.06Å; T203-L266 CarbonylContact C-O 3.57Å; T203-L266 WeakPolarHBondContact CA-O 3.18Å; T203-H267 PolarHBondContact OG1-ND1 3.39Å
204Y88.8Confident75.5Confident5 Ų556.3 Ų56.32%0.0230%0.296CS..EExtended strand (participates in β ladder)trans-85129.8174.4-55.6-93000109.7V171 L172 N175 V184 E185 P187 C202 L265 L266 F279V171-Y204 HydrophobicContact CG1-CE1 4.3Å; V171-Y204 WeakPolarHBondContact CG1-OH 3.4Å; L172-Y204 VanDerWaalsContact O-CE1 3.31Å; L172-Y204 WeakPolarHBondContact O-CE1 3.39Å; N175-Y204 HydrophobicContact CB-CD1 4.28Å; N175-Y204 WeakPolarHBondContact O-CA 3.21Å; V184-Y204 HydrophobicContact CG1-CD1 3.7Å; V184-Y204 HydrophobicContact CG1-CD2 3.69Å; V184-Y204 HydrophobicContact CG1-CE1 3.91Å; V184-Y204 HydrophobicContact CG1-CE2 3.89Å; V184-Y204 HydrophobicContact CG1-CG 3.57Å; E185-Y204 PolarHBondContact O-OH 3.05Å; P187-Y204 WeakPolarHBondContact CD-OH 3.37Å; P187-Y204 WeakPolarHBondContact CG-OH 3.28Å; C202-Y204 HydrophobicContact CB-CE2 4.13Å; Y204-L265 CarbonylContact O-C 3.54Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.25Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 2.74Å; Y204-L266 PolarHBondContact O-N 2.8Å; Y204-F279 AromaticContact CE2-CZ 3.98Å; Y204-F279 HydrophobicContact CE2-CZ 3.98Å
205S88.9Confident77.6Confident35 Ų3556.4 Ų56.425%0.24529%0.292CS..EExtended strand (participates in β ladder)trans-113.6105.8177.952.50000111.8N175 N176 I177N175-S205 PolarHBondContact O-N 2.85Å; N175-S205 VanDerWaalsContact O-N 3.08Å; N176-S205 CarbonylContact C-O 3.58Å; N176-S205 WeakPolarHBondContact CA-O 3.33Å; N176-S205 PolarHBondContact OD1-O 3.06Å; N176-S205 VanDerWaalsContact OD1-O 3.1Å; N176-S205 PolarHBondContact OD1-OG 2.9Å; I177-S205 PolarHBondContact N-O 3.49Å
206I89.1Confident79.6Confident1 Ų147.6 Ų47.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-89.3133.2176-51.9167.6000108.3I177 V184 I214 R263 L264 L266 Y283I177-I206 HydrophobicContact CB-CG1 4.33Å; I177-I206 HydrophobicContact CD1-CG1 4.42Å; I177-I206 CarbonylContact O-C 3.51Å; I177-I206 WeakPolarHBondContact O-CA 3.18Å; V184-I206 HydrophobicContact CG2-CD1 4.02Å; V184-I206 HydrophobicContact CG2-CG1 4.48Å; I206-I214 HydrophobicContact CB-CD1 4.07Å; I206-I214 HydrophobicContact CG2-CD1 3.79Å; I206-I214 HydrophobicContact CG2-CG1 4.23Å; I206-I214 HydrophobicContact CG2-CG2 4.1Å; I206-I214 WeakPolarHBondContact O-CD1 3.39Å; I206-R263 WeakPolarHBondContact O-CA 3.37Å; I206-L264 HydrophobicContact CB-CB 4.44Å; I206-L264 PolarHBondContact N-O 3.48Å; I206-L264 PolarHBondContact O-N 3.39Å; I206-L266 HydrophobicContact CD1-CD1 4.08Å; I206-Y283 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD2 4.28Å; I206-Y283 HydrophobicContact CD1-CG 3.83Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 4.04Å; I206-Y283 HydrophobicContact CG2-CG 4.42Å
207H87.7Confident81.5Confident53 Ų5345.6 Ų45.625%0.24524%0.241CC..EExtended strand (participates in β ladder)trans-145127.1-178.458.6-60.9000112N176 I177 N262 R263N176-H207 PolarHBondContact ND2-CE1 2.03Å; N176-H207 PolarHBondContact ND2-NE2 2.84Å; N176-H207 PolarHBondContact OD1-CE1 2.81Å; N176-H207 VanDerWaalsContact OD1-CE1 3.24Å; N176-H207 PolarHBondContact OD1-ND1 2.68Å; I177-H207 PolarHBondContact O-CE1 2.91Å; I177-H207 PolarHBondContact O-N 3.48Å; I177-H207 PolarHBondContact O-ND1 3.18Å; H207-N262 WeakPolarHBondContact CA-O 3.44Å; H207-R263 HydrophobicContact CB-CG 3.93Å
208V88.2Confident83.3Confident15 Ų1539.6 Ų39.69%0.09121%0.21CC..  trans-119.6179-174.7-58.60000111.2Y212 I214 N262V208-Y212 WeakPolarHBondContact CG2-O 3.44Å; V208-I214 HydrophobicContact CB-CG1 4.36Å; V208-I214 HydrophobicContact CG1-CD1 4.22Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.29Å; V208-I214 HydrophobicContact CG2-CG1 3.76Å; V208-N262 HydrophobicContact CG2-CB 3.97Å; V208-N262 PolarHBondContact N-O 2.9Å; V208-N262 PolarHBondContact O-ND2 2.61Å
209Y84.1Confident84.8Confident168 Ų16840.5 Ų40.566%0.65920%0.199SC*.  trans-61139.9-177.8-71.6-77.2000112.4G211 Y212Y209-G211 PolarHBondContact O-N 3.23Å; Y209-Y212 PolarHBondContact O-N 3.41Å
210P81.7Confident85.7Confident67 Ų6739 Ų3944%0.43519%0.194SC..THydrogen-bonded Turntrans-56.5131.4176.7-2534.7000111.8
211G74.8Confident86.3Confident3 Ų339.2 Ų39.23%0.03120%0.195CC..THydrogen-bonded Turntrans94.9-12.4-171.300000115.2Y209 L289 L290 G335Y209-G211 PolarHBondContact O-N 3.23Å; G211-L289 CarbonylContact O-C 3.54Å; G211-L289 WeakPolarHBondContact O-CA 3.31Å; G211-L290 PolarHBondContact O-N 2.76Å; G211-G335 PolarHBondContact N-O 2.92Å
212Y82.9Confident86.4Confident88 Ų8841 Ų4135%0.34521%0.205SC..EExtended strand (participates in β ladder)trans-106.6151.8170.6-65-89.3000111.5V208 Y209 N262 D286 L289 L290V208-Y212 WeakPolarHBondContact CG2-O 3.44Å; Y209-Y212 PolarHBondContact O-N 3.41Å; Y212-N262 WeakPolarHBondContact O-CA 3.2Å; Y212-N262 WeakPolarHBondContact O-CB 3.48Å; Y212-D286 HydrophobicContact CD1-CB 4.26Å; Y212-L289 HydrophobicContact CD1-CD2 3.77Å; Y212-L289 HydrophobicContact CD1-CG 4.36Å; Y212-L289 HydrophobicContact CE1-CD2 3.45Å; Y212-L289 VanDerWaalsContact CE1-CD2 3.45Å; Y212-L289 HydrophobicContact CE1-CG 4.12Å; Y212-L289 HydrophobicContact CE2-CD2 4.26Å; Y212-L289 HydrophobicContact CG-CD2 4.34Å; Y212-L290 WeakPolarHBondContact O-CD1 3.13Å
213G85.3Confident86.3Confident0 Ų042.8 Ų42.80%021%0.214CC..EExtended strand (participates in β ladder)trans-105-179175.400000113.1Y288G213-Y288 VanDerWaalsContact CA-CZ 3.48Å; G213-Y288 PolarHBondContact N-O 3.36Å
214I88.8Confident85.9Confident0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-123.1112.9-179.4-59.8157.8000107.5I206 V208 I216 S259 L264 Y288I206-I214 HydrophobicContact CB-CD1 4.07Å; I206-I214 HydrophobicContact CG2-CD1 3.79Å; I206-I214 HydrophobicContact CG2-CG1 4.23Å; I206-I214 HydrophobicContact CG2-CG2 4.1Å; I206-I214 WeakPolarHBondContact O-CD1 3.39Å; V208-I214 HydrophobicContact CB-CG1 4.36Å; V208-I214 HydrophobicContact CG1-CD1 4.22Å; V208-I214 HydrophobicContact CG1-CG1 3.66Å; V208-I214 HydrophobicContact CG2-CD1 4.29Å; V208-I214 HydrophobicContact CG2-CG1 3.76Å; I214-I216 HydrophobicContact CG2-CG2 4.17Å; I214-S259 PolarHBondContact N-OG 3.33Å; I214-S259 PolarHBondContact O-N 2.98Å; I214-S259 PolarHBondContact O-OG 2.88Å; I214-L264 HydrophobicContact CB-CB 4.37Å; I214-L264 HydrophobicContact CD1-CB 3.73Å; I214-L264 HydrophobicContact CG2-CB 4.31Å; I214-L264 HydrophobicContact CG2-CD2 3.98Å; I214-Y288 PolarHBondContact N-OH 3.35Å; I214-Y288 VanDerWaalsContact N-OH 3.09Å; I214-Y288 PolarHBondContact O-OH 2.95Å
215E90.3Very high85.1Confident42 Ų4253.4 Ų53.420%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-88.7135.4169.7-173.4165.1110.100107.6V256 L257 R258 Y283 Q284 Y288E215-V256 HydrophobicContact CG-CG1 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.02Å; E215-R258 HydrophobicContact CB-CG 4.45Å; E215-R258 HydrophobicContact CG-CG 4.25Å; E215-R258 IonicContact OE2-CZ 3.24Å; E215-R258 IonicContact OE2-NE 3.45Å; E215-R258 PolarHBondContact OE2-NE 3.02Å; E215-R258 IonicContact OE2-NH2 2.61Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; E215-Y283 CarbonylContact O-C 3.44Å; E215-Y283 WeakPolarHBondContact O-CA 3.33Å; E215-Q284 PolarHBondContact N-O 3.42Å; E215-Q284 PolarHBondContact O-N 3.01Å; E215-Y288 HydrophobicContact CB-CD1 4.29Å; E215-Y288 HydrophobicContact CB-CE1 3.94Å
216I91.1Very high84.3Confident1 Ų156.5 Ų56.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-119.1138.9170.960.7165000110.4I214 V231 V256 L257 L264 L266 I281 H282I214-I216 HydrophobicContact CG2-CG2 4.17Å; I216-V231 HydrophobicContact CD1-CG1 3.84Å; I216-V231 HydrophobicContact CD1-CG2 4.07Å; I216-V256 CarbonylContact O-C 3.58Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; I216-L257 HydrophobicContact CD1-CB 4.29Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.83Å; I216-L257 PolarHBondContact O-N 2.86Å; I216-L264 HydrophobicContact CD1-CD2 4.21Å; I216-L264 HydrophobicContact CG1-CD2 4.4Å; I216-L264 HydrophobicContact CG2-CD2 3.44Å; I216-L264 VanDerWaalsContact CG2-CD2 3.44Å; I216-L266 HydrophobicContact CD1-CD2 4.28Å; I216-I281 HydrophobicContact CB-CG2 3.7Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.93Å; I216-H282 CarbonylContact C-O 3.5Å; I216-H282 WeakPolarHBondContact CA-O 3.29Å
217Q91.1Very high83.9Confident78 Ų7857.1 Ų57.136%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-118.7121.1169.5-173.9175.638.200109.3Q219 Q255 V256 H282Q217-Q219 PolarHBondContact O-N 3.41Å; Q217-Q255 WeakPolarHBondContact CA-O 3.48Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.05Å; Q217-H282 HydrophobicContact CB-CB 4.48Å; Q217-H282 PolarHBondContact N-O 3.32Å; Q217-H282 PolarHBondContact O-N 2.84Å
218V90.9Very high83.8Confident1 Ų158.6 Ų58.61%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-71.5113173.5-1780000108.3L221 L251 G252 G254 Q255 I281V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; V218-L251 HydrophobicContact CG2-CD2 3.88Å; V218-G252 WeakPolarHBondContact CB-O 3.41Å; V218-G252 WeakPolarHBondContact CG1-O 3.17Å; V218-G254 PolarHBondContact O-N 3.04Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.86Å; V218-I281 HydrophobicContact CG2-CG1 4.46Å
219Q87.6Confident83.7Confident74 Ų7457.9 Ų57.935%0.34628%0.284SS..EExtended strand (participates in β ladder)trans-90.3-46.1178.6-68-162-26.800112.3Q217 R280 H282Q217-Q219 PolarHBondContact O-N 3.41Å; Q219-R280 HydrophobicContact CB-CB 4.43Å; Q219-R280 HydrophobicContact CB-CG 4.19Å; Q219-R280 PolarHBondContact N-O 2.82Å; Q219-R280 VanDerWaalsContact OE1-CD 3.26Å; Q219-H282 HydrophobicContact CG-CB 4.09Å
220T83.7Confident84Confident57 Ų5751.4 Ų51.435%0.3526%0.26SS..EExtended strand (participates in β ladder)trans-138.1139.2173.461.90000110.6E253 F279 R280T220-E253 WeakPolarHBondContact CA-OE1 3.46Å; T220-F279 CarbonylContact O-C 3.51Å; T220-F279 VanDerWaalsContact O-CA 3.31Å; T220-F279 WeakPolarHBondContact O-CA 3.34Å; T220-R280 PolarHBondContact N-O 3.13Å; T220-R280 PolarHBondContact O-N 3.45Å; T220-R280 VanDerWaalsContact OG1-CB 3.32Å; T220-R280 WeakPolarHBondContact OG1-CB 3.02Å; T220-R280 PolarHBondContact OG1-N 2.81Å
221L86.6Confident84.4Confident32 Ų3248.2 Ų48.217%0.16824%0.24CC..EExtended strand (participates in β ladder)trans-144.492.6-177.5-171.574.7000111.2V218 L223 L229 L251 E253 F279V218-L221 HydrophobicContact CG1-CB 3.76Å; V218-L221 HydrophobicContact CG1-CD2 4.44Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; L221-L223 HydrophobicContact CD1-CD1 3.86Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L221-L229 HydrophobicContact CD1-CD2 3.94Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 VanDerWaalsContact CD2-O 3.3Å; L221-L251 WeakPolarHBondContact CD2-O 3.48Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 2.73Å; L221-F279 HydrophobicContact CD1-CB 4.06Å
222N83.6Confident85Confident99 Ų9949.4 Ų49.453%0.52925%0.245SC..EExtended strand (participates in β ladder)trans-120.674.2179-177.223.9000109.7G276 G277 G278N222-G276 PolarHBondContact ND2-O 2.62Å; N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.04Å; N222-G278 PolarHBondContact N-O 2.74Å; N222-G278 PolarHBondContact O-N 2.72Å
223L81.1Confident85Confident38 Ų3845.6 Ų45.620%0.19923%0.232CC..  trans-94.9142.5178.8-57-177.6000110.8L221 E227 L229 F268 F279L221-L223 HydrophobicContact CD1-CD1 3.86Å; L221-L223 HydrophobicContact CD1-CG 3.92Å; L221-L223 HydrophobicContact CG-CG 4.37Å; L223-E227 HydrophobicContact CB-CB 4.3Å; L223-L229 HydrophobicContact CD1-CB 3.66Å; L223-L229 HydrophobicContact CD1-CD2 4.29Å; L223-F268 HydrophobicContact CD2-CE2 3.93Å; L223-F279 HydrophobicContact CD2-CB 4.49Å; L223-F279 HydrophobicContact CD2-CD1 4.36Å
224S77.6Confident84.3Confident62 Ų6245.9 Ų45.943%0.43424%0.235SC..  trans-79.2165.517170.20000112.2E226 E227S224-E226 PolarHBondContact O-N 3.09Å; S224-E227 WeakPolarHBondContact CB-OE2 3.31Å; S224-E227 PolarHBondContact N-OE2 2.8Å; S224-E227 PolarHBondContact O-N 2.03Å; S224-E227 VanDerWaalsContact OG-CD 3.27Å; S224-E227 WeakPolarHBondContact OG-CG 3.4Å; S224-E227 PolarHBondContact OG-OE2 2.94Å
225Q71.6Confident83.1Confident208 Ų20846.8 Ų46.897%0.97225%0.245SC*.THydrogen-bonded Turntrans-64.6-7.8-179.6-70-175.5-21.500114.9
226E73.6Confident81.6Confident100 Ų10047.3 Ų47.347%0.46726%0.261SS..THydrogen-bonded Turntrans-106.2-0.4175.6-62.5-176-170.300112.4S224 P271 R272S224-E226 PolarHBondContact O-N 3.09Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.26Å; E226-P271 WeakPolarHBondContact O-CG 3.44Å; E226-R272 IonicContact OE1-CZ 2.73Å; E226-R272 IonicContact OE1-NE 2.73Å; E226-R272 IonicContact OE1-NH2 3.84Å; E226-R272 PolarHBondContact OE1-NH2 3.28Å; E226-R272 IonicContact OE2-CZ 3.23Å; E226-R272 IonicContact OE2-NE 3.14Å; E226-R272 PolarHBondContact OE2-NE 3.19Å; E226-R272 IonicContact OE2-NH2 3.34Å; E226-R272 PolarHBondContact OE2-NH2 3.34Å
227E80.9Confident79.8Confident13 Ų1351.1 Ų51.16%0.06129%0.287CS..  trans-105.8129.5-177.5-76.8167.2134.200111.3L223 S224 F268 Q269 S270 P274L223-E227 HydrophobicContact CB-CB 4.3Å; S224-E227 WeakPolarHBondContact CB-OE2 3.31Å; S224-E227 PolarHBondContact N-OE2 2.8Å; S224-E227 PolarHBondContact O-N 2.03Å; S224-E227 VanDerWaalsContact OG-CD 3.27Å; S224-E227 WeakPolarHBondContact OG-CG 3.4Å; S224-E227 PolarHBondContact OG-OE2 2.94Å; E227-F268 HydrophobicContact CB-CE2 4.16Å; E227-F268 HydrophobicContact CG-CE2 4.38Å; E227-F268 HydrophobicContact CG-CZ 4.35Å; E227-Q269 WeakPolarHBondContact CA-O 3.45Å; E227-S270 WeakPolarHBondContact CG-OG 3.32Å; E227-S270 PolarHBondContact OE1-OG 2.85Å; E227-P274 WeakPolarHBondContact OE1-CB 3.15Å
228E84.1Confident77.7Confident84 Ų8454.1 Ų54.139%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-115.2139.6-179.9-171.2167.1-141.500111.3L230 F268 Q269E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.03Å; E228-F268 WeakPolarHBondContact O-CA 3.21Å; E228-F268 WeakPolarHBondContact O-CD2 3.24Å; E228-Q269 PolarHBondContact N-O 3.01Å; E228-Q269 PolarHBondContact O-N 2.86Å
229L87.6Confident75.9Confident0 Ų058.1 Ų58.10%036%0.356CS..EExtended strand (participates in β ladder)trans-132.8117.2175.4-179.861.8000108.8L221 L223 N247 S248 L251 H267 F268 F279 I281L221-L229 HydrophobicContact CD1-CD2 3.94Å; L223-L229 HydrophobicContact CD1-CB 3.66Å; L223-L229 HydrophobicContact CD1-CD2 4.29Å; L229-N247 CarbonylContact O-C 3.53Å; L229-S248 PolarHBondContact O-N 3.4Å; L229-L251 HydrophobicContact CD2-CD1 4Å; L229-L251 HydrophobicContact CG-CD1 4.1Å; L229-H267 WeakPolarHBondContact CA-O 3.38Å; L229-F268 HydrophobicContact CB-CD2 4.46Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.43Å; L229-F279 HydrophobicContact CD1-CE1 4.22Å; L229-F279 HydrophobicContact CD1-CZ 4.21Å; L229-F279 HydrophobicContact CD2-CB 4.23Å; L229-F279 HydrophobicContact CD2-CD1 4.16Å; L229-F279 HydrophobicContact CD2-CD2 4.22Å; L229-F279 HydrophobicContact CD2-CG 3.95Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å
230L88.9Confident74.5Confident32 Ų3260.8 Ų60.817%0.16837%0.372CS..EExtended strand (participates in β ladder)trans-114.1130.4-178.3-57.4-178.9000110.6E228 L232 L244 N247 H267E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.03Å; L230-L232 HydrophobicContact CB-CD1 4.34Å; L230-L232 HydrophobicContact CB-CG 4.32Å; L230-L244 HydrophobicContact CB-CD1 4.05Å; L230-L244 HydrophobicContact CD2-CD1 4.01Å; L230-L244 HydrophobicContact CG-CD1 4.49Å; L230-N247 HydrophobicContact CD2-CB 3.8Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 2.03Å; L230-H267 PolarHBondContact O-N 3.46Å
231V90.1Very high73.6Confident0 Ų062.2 Ų62.20%039%0.389CS..EExtended strand (participates in β ladder)trans-101.5114.7174.7-177.10000108.3I216 L245 A246 L251 L264 L266I216-V231 HydrophobicContact CD1-CG1 3.84Å; I216-V231 HydrophobicContact CD1-CG2 4.07Å; V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.16Å; V231-L245 HydrophobicContact CG1-CD1 4.28Å; V231-L245 WeakPolarHBondContact O-CB 3.32Å; V231-L245 PolarHBondContact O-N 2.95Å; V231-A246 HydrophobicContact CB-CB 4.29Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 2.93Å; V231-A246 PolarHBondContact O-N 2.85Å; V231-L251 HydrophobicContact CG2-CD1 4.03Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; V231-L264 HydrophobicContact CG1-CD1 3.78Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L264 HydrophobicContact CG1-CG 4.41Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.12Å; V231-L266 HydrophobicContact CG2-CD2 3.85Å
232L87.5Confident73.2Confident29 Ų2964 Ų6415%0.15240%0.402CS..EExtended strand (participates in β ladder)trans-124.4127.1-168.4-66.8159.5000110.9L230 G234 P242 R243 L244 L265 H267L230-L232 HydrophobicContact CB-CD1 4.34Å; L230-L232 HydrophobicContact CB-CG 4.32Å; L232-G234 PolarHBondContact O-N 3.45Å; L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 4.27Å; L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; L232-L244 HydrophobicContact CD2-CB 4.24Å; L232-L244 HydrophobicContact CD2-CD1 3.94Å; L232-L244 HydrophobicContact CG-CD1 4.5Å; L232-L265 HydrophobicContact CB-CB 4.05Å; L232-L265 PolarHBondContact N-O 3.46Å; L232-L265 PolarHBondContact O-N 3.22Å; L232-H267 HydrophobicContact CD1-CB 4.06Å
233A82.8Confident73.1Confident7 Ų767.4 Ų67.46%0.05841%0.408CS..EExtended strand (participates in β ladder)trans-76.3119.4170.500000110.6P242 R243 L245 P260A233-P242 WeakPolarHBondContact O-CA 3.45Å; A233-R243 HydrophobicContact CB-CB 4.42Å; A233-R243 PolarHBondContact N-O 2.76Å; A233-R243 PolarHBondContact O-N 2.9Å; A233-R243 VanDerWaalsContact O-N 3.1Å; A233-L245 HydrophobicContact CB-CD1 4.12Å; A233-L245 HydrophobicContact CB-CD2 4.05Å; A233-L245 HydrophobicContact CB-CG 4.13Å; A233-P260 HydrophobicContact CB-CG 3.85Å
234G71.8Confident73.3Confident6 Ų669.8 Ų69.86%0.06242%0.42CS..EExtended strand (participates in β ladder)trans-95166.7173.200000112.6L232 T261 R263L232-G234 PolarHBondContact O-N 3.45Å; G234-T261 WeakPolarHBondContact O-CB 3.48Å; G234-T261 WeakPolarHBondContact O-CG2 3.47Å; G234-T261 PolarHBondContact O-OG1 3.36Å; G234-R263 PolarHBondContact N-O 2.81Å
235G63.8Low73.6Confident20 Ų2069.1 Ų69.121%0.20641%0.411CS..  trans8336.2170.400000116T336G235-T336 VanDerWaalsContact O-CB 3.29Å; G235-T336 WeakPolarHBondContact O-CB 3.41Å; G235-T336 PolarHBondContact O-OG1 2.9Å
236G56.9Low74.3Confident52 Ų5259.3 Ų59.354%0.53637%0.366SS..  trans-75.8-176.2159.600000112.6
237S53.7Low74.9Confident81 Ų8156.5 Ų56.557%0.56635%0.354SS*.SBendtrans-56146.3175.9-46.60000111.9G239 L240S237-G239 PolarHBondContact O-N 3.33Å; S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.13Å
238P47.3Very low75Confident141 Ų14157.8 Ų57.892%0.91636%0.364SS*.THydrogen-bonded Turntrans-61111.5-174.324.5-34.3000111.4
239G53.5Low74.8Confident86 Ų8658.5 Ų58.589%0.88738%0.379SS*.THydrogen-bonded Turntrans123.7-18.4-178.300000114.8S237S237-G239 PolarHBondContact O-N 3.33Å
240L58.9Low74.5Confident130 Ų13064.6 Ų64.668%0.68141%0.409SS*.PPolyproline II helixtrans-83.4141.6174.2-75.8107.7000112.6S237S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.13Å
241A64.1Low74.1Confident87 Ų8763.8 Ų63.872%0.71941%0.405SS*.PPolyproline II helixtrans-69.7156.8174.600000112.2R243A241-R243 PolarHBondContact O-N 3.37Å
242P77.1Confident73.9Confident68 Ų6865.2 Ų65.244%0.44242%0.42SS..PPolyproline II helixtrans-60135.7173.8-20.632.8000111.6L232 A233L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 4.27Å; A233-P242 WeakPolarHBondContact O-CA 3.45Å
243R82Confident73.8Confident172 Ų17269.9 Ų69.965%0.64944%0.44SS*.EExtended strand (participates in β ladder)trans-87125.3-180170.6174.4170.2171.5-2110.5L232 A233 A241 L245L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.45Å; A233-R243 HydrophobicContact CB-CB 4.42Å; A233-R243 PolarHBondContact N-O 2.76Å; A233-R243 PolarHBondContact O-N 2.9Å; A233-R243 VanDerWaalsContact O-N 3.1Å; A241-R243 PolarHBondContact O-N 3.37Å; R243-L245 PolarHBondContact O-N 2.8Å
244L85.1Confident73.8Confident87 Ų8771.8 Ų71.846%0.45546%0.461SS..EExtended strand (participates in β ladder)trans-61.6132.7170.9-168.967.7000111.3L230 L232 A246L230-L244 HydrophobicContact CB-CD1 4.05Å; L230-L244 HydrophobicContact CD2-CD1 4.01Å; L230-L244 HydrophobicContact CG-CD1 4.49Å; L232-L244 HydrophobicContact CD2-CB 4.24Å; L232-L244 HydrophobicContact CD2-CD1 3.94Å; L232-L244 HydrophobicContact CG-CD1 4.5Å; L244-A246 WeakPolarHBondContact CD1-O 3.49Å
245L85.1Confident74.5Confident48 Ų4875.5 Ų75.525%0.25148%0.477SS..EExtended strand (participates in β ladder)trans-108-41.8173.9-57.6-176.2000111.3V231 A233 R243 P260 L264V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.16Å; V231-L245 HydrophobicContact CG1-CD1 4.28Å; V231-L245 WeakPolarHBondContact O-CB 3.32Å; V231-L245 PolarHBondContact O-N 2.95Å; A233-L245 HydrophobicContact CB-CD1 4.12Å; A233-L245 HydrophobicContact CB-CD2 4.05Å; A233-L245 HydrophobicContact CB-CG 4.13Å; R243-L245 PolarHBondContact O-N 2.8Å; L245-P260 HydrophobicContact CD2-CG 4.05Å; L245-L264 HydrophobicContact CD1-CD1 3.84Å
246A85.5Confident75.7Confident2 Ų277.1 Ų77.12%0.01748%0.482CS..EExtended strand (participates in β ladder)trans-155.1151.8175.600000110.9V231 L244 M250 L251 L257V231-A246 HydrophobicContact CB-CB 4.29Å; V231-A246 HydrophobicContact CG2-CB 4.42Å; V231-A246 PolarHBondContact N-O 2.93Å; V231-A246 PolarHBondContact O-N 2.85Å; L244-A246 WeakPolarHBondContact CD1-O 3.49Å; A246-M250 HydrophobicContact CB-CB 4.09Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.22Å; A246-L257 HydrophobicContact CB-CD1 3.55Å
247N86.3Confident77.1Confident42 Ų4276.5 Ų76.523%0.22547%0.466CS..  trans-110.9178.4169.971.1-9.7000110.7L229 L230 S249 M250 L251L229-N247 CarbonylContact O-C 3.53Å; L230-N247 HydrophobicContact CD2-CB 3.8Å; N247-S249 VanDerWaalsContact CG-OG 3.32Å; N247-S249 PolarHBondContact ND2-OG 2.8Å; N247-S249 PolarHBondContact O-N 2.91Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.17Å; N247-S249 PolarHBondContact OD1-OG 2.87Å; N247-M250 PolarHBondContact O-N 3.39Å; N247-M250 WeakPolarHBondContact OD1-CB 3.46Å; N247-M250 VanDerWaalsContact OD1-CG 3.28Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 2.95Å; N247-M250 VanDerWaalsContact OD1-N 3.08Å; N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 2.77Å
248S82.3Confident78.7Confident39 Ų3980.2 Ų80.227%0.27347%0.468SS..THydrogen-bonded Turntrans-56.5-29.1-178.951.70000114.3L229L229-S248 PolarHBondContact O-N 3.4Å
249S80.6Confident80.6Confident100 Ų10073.6 Ų73.670%0.69943%0.425SS*.THydrogen-bonded Turntrans-82.6-14.3177.163.50000114.9N247N247-S249 VanDerWaalsContact CG-OG 3.32Å; N247-S249 PolarHBondContact ND2-OG 2.8Å; N247-S249 PolarHBondContact O-N 2.91Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.17Å; N247-S249 PolarHBondContact OD1-OG 2.87Å
250M80.4Confident81.9Confident127 Ų12771.5 Ų71.563%0.62640%0.396SS*.THydrogen-bonded Turntrans-99.5-4.1176.2-71.9177.7128.500112.7A246 N247A246-M250 HydrophobicContact CB-CB 4.09Å; N247-M250 PolarHBondContact O-N 3.39Å; N247-M250 WeakPolarHBondContact OD1-CB 3.46Å; N247-M250 VanDerWaalsContact OD1-CG 3.28Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 2.95Å; N247-M250 VanDerWaalsContact OD1-N 3.08Å
251L82.4Confident83.2Confident16 Ų1665.5 Ų65.58%0.08437%0.365CS..  trans-98.1143.3176.7-64.6166.7000109.8V218 L221 L229 V231 A246 N247 L257V218-L251 HydrophobicContact CG2-CD2 3.88Å; L221-L251 VanDerWaalsContact CD2-C 3.47Å; L221-L251 HydrophobicContact CD2-CB 3.56Å; L221-L251 VanDerWaalsContact CD2-O 3.3Å; L221-L251 WeakPolarHBondContact CD2-O 3.48Å; L229-L251 HydrophobicContact CD2-CD1 4Å; L229-L251 HydrophobicContact CG-CD1 4.1Å; V231-L251 HydrophobicContact CG2-CD1 4.03Å; V231-L251 HydrophobicContact CG2-CD2 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.22Å; N247-L251 WeakPolarHBondContact O-CG 3.4Å; N247-L251 PolarHBondContact O-N 2.77Å; L251-L257 HydrophobicContact CD2-CD1 3.63Å
252G84.4Confident84.2Confident30 Ų3061.7 Ų61.731%0.30933%0.332SS..  trans-156.5159.8175.600000110.2V218 G254 Q255V218-G252 WeakPolarHBondContact CB-O 3.41Å; V218-G252 WeakPolarHBondContact CG1-O 3.17Å; G252-G254 PolarHBondContact O-N 2.64Å; G252-Q255 WeakPolarHBondContact O-CB 3.46Å; G252-Q255 PolarHBondContact O-N 2.94Å
253E85.9Confident84.7Confident126 Ų12664.3 Ų64.359%0.58933%0.333SS*.THydrogen-bonded Turntrans-62.9132.3-178-59.5-171.915800111.1T220 L221 Q255T220-E253 WeakPolarHBondContact CA-OE1 3.46Å; L221-E253 HydrophobicContact CB-CG 4.16Å; L221-E253 PolarHBondContact N-OE1 2.73Å; E253-Q255 VanDerWaalsContact C-N 3.32Å
254G82.8Confident85.1Confident47 Ų4756.2 Ų56.249%0.48530%0.303SS..THydrogen-bonded Turntrans84.4-10.2-171.200000115.4V218 G252 V256V218-G254 PolarHBondContact O-N 3.04Å; G252-G254 PolarHBondContact O-N 2.64Å; G254-V256 PolarHBondContact O-N 2.86Å
255Q86.8Confident85.3Confident85 Ų8554 Ų5440%0.39729%0.292SS..  trans-63.7131.7178.5-17659.952.800111.1Q217 V218 G252 E253 L257Q217-Q255 WeakPolarHBondContact CA-O 3.48Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.86Å; G252-Q255 WeakPolarHBondContact O-CB 3.46Å; G252-Q255 PolarHBondContact O-N 2.94Å; E253-Q255 VanDerWaalsContact C-N 3.32Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
256V88.6Confident85.5Confident53 Ų5351.8 Ų51.832%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-107.3138.1174.2-179.10000109.8E215 I216 Q217 G254E215-V256 HydrophobicContact CG-CG1 3.55Å; I216-V256 CarbonylContact O-C 3.58Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.44Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.05Å; G254-V256 PolarHBondContact O-N 2.86Å
257L86.4Confident85.7Confident39 Ų3953.3 Ų53.320%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-136.3146.1174.7-63.1170.9000110.2E215 I216 A246 L251 Q255E215-L257 WeakPolarHBondContact CA-O 3.02Å; I216-L257 HydrophobicContact CD1-CB 4.29Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.83Å; I216-L257 PolarHBondContact O-N 2.86Å; A246-L257 HydrophobicContact CB-CD1 3.55Å; L251-L257 HydrophobicContact CD2-CD1 3.63Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
258R87.9Confident85.7Confident159 Ų15951.4 Ų51.460%0.628%0.276SS*.EExtended strand (participates in β ladder)trans-115.3131.6178.1-71.6-179.5177.9166.71.1110.7E215 Y288E215-R258 HydrophobicContact CB-CG 4.45Å; E215-R258 HydrophobicContact CG-CG 4.25Å; E215-R258 IonicContact OE2-CZ 3.24Å; E215-R258 IonicContact OE2-NE 3.45Å; E215-R258 PolarHBondContact OE2-NE 3.02Å; E215-R258 IonicContact OE2-NH2 2.61Å; E215-R258 PolarHBondContact OE2-NH2 3.26Å; R258-Y288 HydrophobicContact CB-CE1 4.19Å; R258-Y288 HydrophobicContact CB-CE2 4.38Å; R258-Y288 HydrophobicContact CG-CD1 4.48Å; R258-Y288 HydrophobicContact CG-CE1 3.91Å
259S86.1Confident85.9Confident3 Ų352.8 Ų52.82%0.02128%0.278CS..  trans-69.9137.917170.60000111.5I214 T261 Y288I214-S259 PolarHBondContact N-OG 3.33Å; I214-S259 PolarHBondContact O-N 2.98Å; I214-S259 PolarHBondContact O-OG 2.88Å; S259-T261 VanDerWaalsContact CB-O 3.3Å; S259-T261 WeakPolarHBondContact CB-O 3.45Å; S259-T261 PolarHBondContact O-N 2.86Å; S259-T261 PolarHBondContact OG-O 3.13Å; S259-Y288 PolarHBondContact N-OH 3.05Å; S259-Y288 PolarHBondContact O-OH 3.4Å; S259-Y288 PolarHBondContact OG-OH 2.78Å
260P81.8Confident85.8Confident42 Ų4248.1 Ų48.127%0.27325%0.246SC..SBendtrans-86.419.7171.838.2-37.7000112.2A233 L245 R337A233-P260 HydrophobicContact CB-CG 3.85Å; L245-P260 HydrophobicContact CD2-CG 4.05Å; P260-R337 PolarHBondContact O-NH2 2.89Å
261T85.7Confident85.4Confident3 Ų344.7 Ų44.72%0.01823%0.233CC..SBendtrans-157.6160.9-177.1540000110.9G234 S259 R263 T336 R337G234-T261 WeakPolarHBondContact O-CB 3.48Å; G234-T261 WeakPolarHBondContact O-CG2 3.47Å; G234-T261 PolarHBondContact O-OG1 3.36Å; S259-T261 VanDerWaalsContact CB-O 3.3Å; S259-T261 WeakPolarHBondContact CB-O 3.45Å; S259-T261 PolarHBondContact O-N 2.86Å; S259-T261 PolarHBondContact OG-O 3.13Å; T261-R263 PolarHBondContact O-N 2.85Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 3.12Å; T261-R263 VanDerWaalsContact OG1-O 3.05Å; T261-T336 CarbonylContact C-O 3.54Å; T261-T336 WeakPolarHBondContact CA-O 3.4Å; T261-T336 VanDerWaalsContact CB-O 3.24Å; T261-T336 WeakPolarHBondContact CB-O 3.26Å; T261-R337 HydrophobicContact CG2-CB 4.25Å
262N85.4Confident84.6Confident7 Ų751.3 Ų51.34%0.03726%0.257CS..SBendtrans-75.611.7178.184.4-37.1000114.5H207 V208 Y212 L290 T336H207-N262 WeakPolarHBondContact CA-O 3.44Å; V208-N262 HydrophobicContact CG2-CB 3.97Å; V208-N262 PolarHBondContact N-O 2.9Å; V208-N262 PolarHBondContact O-ND2 2.61Å; Y212-N262 WeakPolarHBondContact O-CA 3.2Å; Y212-N262 WeakPolarHBondContact O-CB 3.48Å; N262-L290 HydrophobicContact CB-CD1 4.28Å; N262-T336 PolarHBondContact N-O 3.24Å; N262-T336 WeakPolarHBondContact OD1-CA 3.34Å; N262-T336 VanDerWaalsContact OD1-CB 3.3Å; N262-T336 WeakPolarHBondContact OD1-CB 3.29Å; N262-T336 WeakPolarHBondContact OD1-CG2 3.36Å
263R87.7Confident83.4Confident124 Ų12453.5 Ų53.547%0.46826%0.264SS..EExtended strand (participates in β ladder)trans-138.2124.8-177.7-71.8-178.6-178.4-169.60.3110.8I206 H207 G234 T261I206-R263 WeakPolarHBondContact O-CA 3.37Å; H207-R263 HydrophobicContact CB-CG 3.93Å; G234-R263 PolarHBondContact N-O 2.81Å; T261-R263 PolarHBondContact O-N 2.85Å; T261-R263 VanDerWaalsContact O-N 3.08Å; T261-R263 PolarHBondContact OG1-O 3.12Å; T261-R263 VanDerWaalsContact OG1-O 3.05Å
264L89Confident82.1Confident2 Ų248.5 Ų48.51%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-121.5134.6177-168.870.5000109.4I206 I214 I216 V231 L245 L266I206-L264 HydrophobicContact CB-CB 4.44Å; I206-L264 PolarHBondContact N-O 3.48Å; I206-L264 PolarHBondContact O-N 3.39Å; I214-L264 HydrophobicContact CB-CB 4.37Å; I214-L264 HydrophobicContact CD1-CB 3.73Å; I214-L264 HydrophobicContact CG2-CB 4.31Å; I214-L264 HydrophobicContact CG2-CD2 3.98Å; I216-L264 HydrophobicContact CD1-CD2 4.21Å; I216-L264 HydrophobicContact CG1-CD2 4.4Å; I216-L264 HydrophobicContact CG2-CD2 3.44Å; I216-L264 VanDerWaalsContact CG2-CD2 3.44Å; V231-L264 HydrophobicContact CG1-CD1 3.78Å; V231-L264 HydrophobicContact CG1-CD2 4.43Å; V231-L264 HydrophobicContact CG1-CG 4.41Å; L245-L264 HydrophobicContact CD1-CD1 3.84Å; L264-L266 HydrophobicContact CD2-CD2 4.25Å; L264-L266 HydrophobicContact CG-CD2 4.49Å
265L89.9Confident80.7Confident41 Ų4158 Ų5822%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-111.8129.5172.8-73.976.7000108.4T203 Y204 L232T203-L265 HydrophobicContact CG2-CB 4.49Å; T203-L265 HydrophobicContact CG2-CD2 4.06Å; Y204-L265 CarbonylContact O-C 3.54Å; Y204-L265 VanDerWaalsContact O-CA 3.31Å; Y204-L265 WeakPolarHBondContact O-CA 3.25Å; L232-L265 HydrophobicContact CB-CB 4.05Å; L232-L265 PolarHBondContact N-O 3.46Å; L232-L265 PolarHBondContact O-N 3.22Å
266L90.1Very high79.2Confident0 Ų057.4 Ų57.40%028%0.281CS..EExtended strand (participates in β ladder)trans-109.6107.7170.9-57.8175.3000107.1V184 T203 Y204 I206 I216 V231 L264 I281V184-L266 HydrophobicContact CB-CD1 4.06Å; V184-L266 HydrophobicContact CG1-CD1 4.13Å; V184-L266 HydrophobicContact CG2-CD1 4.08Å; T203-L266 CarbonylContact C-O 3.57Å; T203-L266 WeakPolarHBondContact CA-O 3.18Å; Y204-L266 HydrophobicContact CD2-CB 4.48Å; Y204-L266 PolarHBondContact N-O 2.74Å; Y204-L266 PolarHBondContact O-N 2.8Å; I206-L266 HydrophobicContact CD1-CD1 4.08Å; I216-L266 HydrophobicContact CD1-CD2 4.28Å; V231-L266 HydrophobicContact CB-CD2 4.32Å; V231-L266 HydrophobicContact CG1-CD2 4.12Å; V231-L266 HydrophobicContact CG2-CD2 3.85Å; L264-L266 HydrophobicContact CD2-CD2 4.25Å; L264-L266 HydrophobicContact CG-CD2 4.49Å; L266-I281 HydrophobicContact CD1-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CG2 4.46Å; L266-I281 HydrophobicContact CD2-CD1 4.41Å
267H88.9Confident78.1Confident35 Ų3555.9 Ų55.916%0.16228%0.276CS..EExtended strand (participates in β ladder)trans-102.7116.8179.9177.280.3000109.3D201 T203 L229 L230 L232D201-H267 IonicContact OD1-CE1 3.44Å; D201-H267 PolarHBondContact OD1-CE1 2.83Å; D201-H267 IonicContact OD1-ND1 2.71Å; D201-H267 IonicContact OD2-CE1 3.53Å; D201-H267 PolarHBondContact OD2-CE1 2.89Å; D201-H267 IonicContact OD2-NE2 2.67Å; T203-H267 PolarHBondContact OG1-ND1 3.39Å; L229-H267 WeakPolarHBondContact CA-O 3.38Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 2.03Å; L230-H267 PolarHBondContact O-N 3.46Å; L232-H267 HydrophobicContact CD1-CB 4.06Å
268F87.4Confident77.6Confident1 Ų154.8 Ų54.80%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-115.6125.7179.8175.2-118.2000110L200 C202 L223 E227 E228 L229 F279L200-F268 HydrophobicContact CD2-CE1 4.17Å; C202-F268 PolarHBondContact N-O 3.2Å; C202-F268 PolarHBondContact O-N 2.93Å; L223-F268 HydrophobicContact CD2-CE2 3.93Å; E227-F268 HydrophobicContact CB-CE2 4.16Å; E227-F268 HydrophobicContact CG-CE2 4.38Å; E227-F268 HydrophobicContact CG-CZ 4.35Å; E228-F268 WeakPolarHBondContact O-CA 3.21Å; E228-F268 WeakPolarHBondContact O-CD2 3.24Å; L229-F268 HydrophobicContact CB-CD2 4.46Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.43Å; F268-F279 HydrophobicContact CB-CE1 3.92Å; F268-F279 HydrophobicContact CB-CZ 4.29Å; F268-F279 AromaticContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD2-CD1 4.19Å; F268-F279 AromaticContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CE1-CE1 4.45Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.43Å; F268-F279 AromaticContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CZ 4.44Å
269Q85.3Confident77.5Confident68 Ų6847.4 Ų47.432%0.31825%0.246SC..EExtended strand (participates in β ladder)trans-124.3128.2176.7-167.4172.998.300110.5L200 D201 E227 E228L200-Q269 WeakPolarHBondContact O-CA 3.44Å; D201-Q269 PolarHBondContact OD2-NE2 3.29Å; E227-Q269 WeakPolarHBondContact CA-O 3.45Å; E228-Q269 PolarHBondContact N-O 3.01Å; E228-Q269 PolarHBondContact O-N 2.86Å
270S79.3Confident77.6Confident3 Ų351.5 Ų51.52%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-129.3118.2172.7179.30000110.2L199 L200 E227 R272L199-S270 WeakPolarHBondContact CA-O 3.03Å; L200-S270 PolarHBondContact N-O 2.93Å; L200-S270 PolarHBondContact O-N 3.48Å; E227-S270 WeakPolarHBondContact CG-OG 3.32Å; E227-S270 PolarHBondContact OE1-OG 2.85Å; S270-R272 PolarHBondContact O-N 2.84Å; S270-R272 PolarHBondContact OG-O 3.37Å
271P71.1Confident78Confident55 Ų5549.5 Ų49.536%0.35725%0.248SC..SBendtrans-80.77-17934.3-36.5000113.4G198 L199 E226G198-P271 CarbonylContact O-C 3.58Å; G198-P271 VanDerWaalsContact O-C 3.25Å; L199-P271 HydrophobicContact CD1-CB 4.48Å; E226-P271 HydrophobicContact CB-CG 3.85Å; E226-P271 WeakPolarHBondContact O-CD 3.26Å; E226-P271 WeakPolarHBondContact O-CG 3.44Å
272R65.9Low78.3Confident154 Ų15450.5 Ų50.558%0.58125%0.252SS*.SBendtrans-143.9175.2173.8-54.7-171.7-156.1-1447.8109.8G198 E226 S270 P274G198-R272 VanDerWaalsContact O-CA 3.29Å; G198-R272 WeakPolarHBondContact O-CA 3.31Å; G198-R272 PolarHBondContact O-N 2.76Å; E226-R272 IonicContact OE1-CZ 2.73Å; E226-R272 IonicContact OE1-NE 2.73Å; E226-R272 IonicContact OE1-NH2 3.84Å; E226-R272 PolarHBondContact OE1-NH2 3.28Å; E226-R272 IonicContact OE2-CZ 3.23Å; E226-R272 IonicContact OE2-NE 3.14Å; E226-R272 PolarHBondContact OE2-NE 3.19Å; E226-R272 IonicContact OE2-NH2 3.34Å; E226-R272 PolarHBondContact OE2-NH2 3.34Å; S270-R272 PolarHBondContact O-N 2.84Å; S270-R272 PolarHBondContact OG-O 3.37Å; R272-P274 WeakPolarHBondContact O-CD 3.45Å
273V60.2Low78.6Confident76 Ų7650.3 Ų50.346%0.46125%0.251SS..  trans-70.8115167.7177.60000109.3L189 R275L189-V273 HydrophobicContact CD1-CG1 3.46Å; L189-V273 VanDerWaalsContact CD1-CG1 3.46Å; L189-V273 HydrophobicContact CD2-CG1 4.03Å; L189-V273 HydrophobicContact CG-CG1 4.33Å; V273-R275 PolarHBondContact O-N 3.4Å
274P57Low78.6Confident22 Ų2247 Ų4714%0.14324%0.241CC..  trans-50.6136.9179.6-5.4-7.8000113.6L189 E227 R272L189-P274 HydrophobicContact CD1-CB 4.26Å; L189-P274 HydrophobicContact CD1-CG 3.76Å; E227-P274 WeakPolarHBondContact OE1-CB 3.15Å; R272-P274 WeakPolarHBondContact O-CD 3.45Å
275R54.5Low78Confident246 Ų24647.1 Ų47.193%0.92824%0.242SC*.SBendtrans-112.662.8-175.1-69-171.3174.4-171.4-1.5112.4V273 G277V273-R275 PolarHBondContact O-N 3.4Å; R275-G277 PolarHBondContact O-N 3.27Å
276G54.9Low77Confident73 Ų7348.2 Ų48.275%0.75325%0.248SC*.SBendtrans77.29.1-179.500000114.5N222N222-G276 PolarHBondContact ND2-O 2.62Å
277G65.1Low75.8Confident21 Ų2152 Ų5222%0.21627%0.271CS..  trans-86.7158.8158.200000110.8N222 R275N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.04Å; R275-G277 PolarHBondContact O-N 3.27Å
278G77Confident75.1Confident15 Ų1552.1 Ų52.116%0.15527%0.271CS..EExtended strand (participates in β ladder)trans174.3173.6-177.700000112.6S186 N222S186-G278 WeakPolarHBondContact OG-CA 3.42Å; N222-G278 PolarHBondContact N-O 2.74Å; N222-G278 PolarHBondContact O-N 2.72Å
279F85.8Confident74.7Confident4 Ų455.5 Ų55.52%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-132.8151.4176.168.7-90.6000111.2V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281V184-F279 HydrophobicContact CG1-CE2 4.07Å; E185-F279 VanDerWaalsContact CA-O 3.3Å; E185-F279 WeakPolarHBondContact CA-O 3.28Å; S186-F279 PolarHBondContact N-O 3.49Å; S186-F279 VanDerWaalsContact N-O 3.09Å; S186-F279 PolarHBondContact OG-N 3.39Å; Y204-F279 AromaticContact CE2-CZ 3.98Å; Y204-F279 HydrophobicContact CE2-CZ 3.98Å; T220-F279 CarbonylContact O-C 3.51Å; T220-F279 VanDerWaalsContact O-CA 3.31Å; T220-F279 WeakPolarHBondContact O-CA 3.34Å; L221-F279 HydrophobicContact CD1-CB 4.06Å; L223-F279 HydrophobicContact CD2-CB 4.49Å; L223-F279 HydrophobicContact CD2-CD1 4.36Å; L229-F279 HydrophobicContact CD1-CE1 4.22Å; L229-F279 HydrophobicContact CD1-CZ 4.21Å; L229-F279 HydrophobicContact CD2-CB 4.23Å; L229-F279 HydrophobicContact CD2-CD1 4.16Å; L229-F279 HydrophobicContact CD2-CD2 4.22Å; L229-F279 HydrophobicContact CD2-CG 3.95Å; F268-F279 HydrophobicContact CB-CE1 3.92Å; F268-F279 HydrophobicContact CB-CZ 4.29Å; F268-F279 AromaticContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD1-CE1 3.97Å; F268-F279 HydrophobicContact CD2-CD1 4.19Å; F268-F279 AromaticContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CD2-CE1 3.81Å; F268-F279 HydrophobicContact CE1-CE1 4.45Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.33Å; F268-F279 HydrophobicContact CG-CD1 4.43Å; F268-F279 AromaticContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CE1 3.61Å; F268-F279 HydrophobicContact CG-CZ 4.44Å; F279-I281 HydrophobicContact CD2-CD1 4.03Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.39Å
280R87.7Confident74.4Confident89 Ų8952.9 Ų52.934%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-132.5118.4166.7178176.7-76.2116.44.8108Y183 E185 Q219 T220Y183-R280 HydrophobicContact CD1-CG 4.19Å; E185-R280 HydrophobicContact CG-CB 4.46Å; E185-R280 HydrophobicContact CG-CG 4.27Å; E185-R280 IonicContact OE1-CZ 2.72Å; E185-R280 IonicContact OE1-NE 3.92Å; E185-R280 PolarHBondContact OE1-NE 2.71Å; E185-R280 IonicContact OE1-NH2 3.7Å; E185-R280 PolarHBondContact OE1-NH2 3.27Å; E185-R280 IonicContact OE2-NH2 3.66Å; E185-R280 PolarHBondContact OE2-NH2 2.75Å; Q219-R280 HydrophobicContact CB-CB 4.43Å; Q219-R280 HydrophobicContact CB-CG 4.19Å; Q219-R280 PolarHBondContact N-O 2.82Å; Q219-R280 VanDerWaalsContact OE1-CD 3.26Å; T220-R280 PolarHBondContact N-O 3.13Å; T220-R280 PolarHBondContact O-N 3.45Å; T220-R280 VanDerWaalsContact OG1-CB 3.32Å; T220-R280 WeakPolarHBondContact OG1-CB 3.02Å; T220-R280 PolarHBondContact OG1-N 2.81Å
281I90.4Very high74.5Confident0 Ų055.5 Ų55.50%030%0.295CS..EExtended strand (participates in β ladder)trans-115.1119.3175.7-69.7170.8000107.3Y183 V184 I216 V218 L229 L266 F279Y183-I281 CarbonylContact C-O 3.56Å; Y183-I281 WeakPolarHBondContact CA-O 3.06Å; V184-I281 PolarHBondContact N-O 2.8Å; V184-I281 PolarHBondContact O-N 2.81Å; I216-I281 HydrophobicContact CB-CG2 3.7Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.93Å; V218-I281 HydrophobicContact CG2-CG1 4.46Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å; L266-I281 HydrophobicContact CD1-CD1 4.19Å; L266-I281 HydrophobicContact CD1-CG2 4.46Å; L266-I281 HydrophobicContact CD2-CD1 4.41Å; F279-I281 HydrophobicContact CD2-CD1 4.03Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.39Å
282H91.4Very high75Confident24 Ų2453 Ų5311%0.11128%0.279CS..EExtended strand (participates in β ladder)trans-74.9136.9162.9179.8-123.1000107.8E181 G182 Y183 I216 Q217 Q219E181-H282 WeakPolarHBondContact CG-NE2 3Å; E181-H282 IonicContact OE1-CE1 3.17Å; E181-H282 PolarHBondContact OE1-CE1 3.2Å; E181-H282 IonicContact OE1-NE2 2.81Å; E181-H282 PolarHBondContact OE1-NE2 3.37Å; G182-H282 WeakPolarHBondContact O-CA 3.5Å; G182-H282 PolarHBondContact O-CD2 2.84Å; G182-H282 VanDerWaalsContact O-CD2 3.24Å; Y183-H282 HydrophobicContact CD1-CB 3.92Å; Y183-H282 HydrophobicContact CE1-CB 3.67Å; Y183-H282 AromaticContact CE1-CD2 3.41Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.41Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.82Å; Y183-H282 AromaticContact CZ-CD2 3.57Å; I216-H282 CarbonylContact C-O 3.5Å; I216-H282 WeakPolarHBondContact CA-O 3.29Å; Q217-H282 HydrophobicContact CB-CB 4.48Å; Q217-H282 PolarHBondContact N-O 3.32Å; Q217-H282 PolarHBondContact O-N 2.84Å; Q219-H282 HydrophobicContact CG-CB 4.09Å
283Y91.1Very high75.6Confident4 Ų448.3 Ų48.32%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-126.4142172.974.2-89.2000109.3I177 E179 E181 G182 V184 I206 E215I177-Y283 HydrophobicContact CG2-CE1 4.07Å; I177-Y283 HydrophobicContact CG2-CE2 4.07Å; I177-Y283 VanDerWaalsContact CG2-CZ 3.49Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.37Å; E179-Y283 WeakPolarHBondContact O-CE2 3.45Å; E181-Y283 WeakPolarHBondContact CA-O 3.46Å; E181-Y283 WeakPolarHBondContact CG-O 3.38Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.43Å; G182-Y283 VanDerWaalsContact N-CZ 3.34Å; G182-Y283 PolarHBondContact N-O 2.92Å; G182-Y283 VanDerWaalsContact O-CD1 3.29Å; G182-Y283 WeakPolarHBondContact O-CD1 3.33Å; G182-Y283 PolarHBondContact O-N 3.09Å; V184-Y283 HydrophobicContact CG2-CD1 3.89Å; V184-Y283 HydrophobicContact CG2-CE1 4.18Å; I206-Y283 HydrophobicContact CD1-CD1 4.11Å; I206-Y283 HydrophobicContact CD1-CD2 4.28Å; I206-Y283 HydrophobicContact CD1-CG 3.83Å; I206-Y283 HydrophobicContact CG2-CD2 3.8Å; I206-Y283 HydrophobicContact CG2-CE2 4.04Å; I206-Y283 HydrophobicContact CG2-CG 4.42Å; E215-Y283 CarbonylContact O-C 3.44Å; E215-Y283 WeakPolarHBondContact O-CA 3.33Å
284Q89.4Confident76.5Confident55 Ų5550.4 Ų50.426%0.25728%0.281SS..EExtended strand (participates in β ladder)trans-134.2114.2177.2-156.9172.343.100109E181 E215 T287E181-Q284 HydrophobicContact CB-CG 4.26Å; E181-Q284 HydrophobicContact CG-CB 4.35Å; E181-Q284 HydrophobicContact CG-CG 3.95Å; E181-Q284 PolarHBondContact OE2-NE2 2.97Å; E215-Q284 PolarHBondContact N-O 3.42Å; E215-Q284 PolarHBondContact O-N 3.01Å; Q284-T287 VanDerWaalsContact CD-CG2 3.43Å; Q284-T287 HydrophobicContact CG-CG2 3.72Å
285G76.6Confident77.6Confident3 Ų349.4 Ų49.43%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-81175.7164.500000111.5G180 T287G180-G285 WeakPolarHBondContact O-CA 3.03Å; G180-G285 PolarHBondContact O-N 2.86Å; G285-T287 PolarHBondContact O-N 3.27Å
286D67.1Low78.7Confident65 Ų6541.7 Ų41.735%0.34826%0.256SS..EExtended strand (participates in β ladder)trans59.5-5.3169.5-52.8-22.3000116.9Y212Y212-D286 HydrophobicContact CD1-CB 4.26Å
287T65.2Low79.8Confident79 Ų7945.6 Ų45.649%0.48525%0.249SC..EExtended strand (participates in β ladder)trans-86.7-17.6-179.846.80000115.4Q284 G285Q284-T287 VanDerWaalsContact CD-CG2 3.43Å; Q284-T287 HydrophobicContact CG-CG2 3.72Å; G285-T287 PolarHBondContact O-N 3.27Å
288Y75.7Confident80.5Confident38 Ų3845.3 Ų45.315%0.14924%0.243CC..EExtended strand (participates in β ladder)trans-133.7140.4163.973.8-81.8000111.8G213 I214 E215 R258 S259 L290G213-Y288 VanDerWaalsContact CA-CZ 3.48Å; G213-Y288 PolarHBondContact N-O 3.36Å; I214-Y288 PolarHBondContact N-OH 3.35Å; I214-Y288 VanDerWaalsContact N-OH 3.09Å; I214-Y288 PolarHBondContact O-OH 2.95Å; E215-Y288 HydrophobicContact CB-CD1 4.29Å; E215-Y288 HydrophobicContact CB-CE1 3.94Å; R258-Y288 HydrophobicContact CB-CE1 4.19Å; R258-Y288 HydrophobicContact CB-CE2 4.38Å; R258-Y288 HydrophobicContact CG-CD1 4.48Å; R258-Y288 HydrophobicContact CG-CE1 3.91Å; S259-Y288 PolarHBondContact N-OH 3.05Å; S259-Y288 PolarHBondContact O-OH 3.4Å; S259-Y288 PolarHBondContact OG-OH 2.78Å; Y288-L290 HydrophobicContact CE2-CD2 4.03Å
289L78.5Confident80.6Confident72 Ų7248 Ų4838%0.37726%0.263SS..EExtended strand (participates in β ladder)trans-76139.1169.4-68.5162.4000108.8G211 Y212 H309G211-L289 CarbonylContact O-C 3.54Å; G211-L289 WeakPolarHBondContact O-CA 3.31Å; Y212-L289 HydrophobicContact CD1-CD2 3.77Å; Y212-L289 HydrophobicContact CD1-CG 4.36Å; Y212-L289 HydrophobicContact CE1-CD2 3.45Å; Y212-L289 VanDerWaalsContact CE1-CD2 3.45Å; Y212-L289 HydrophobicContact CE1-CG 4.12Å; Y212-L289 HydrophobicContact CE2-CD2 4.26Å; Y212-L289 HydrophobicContact CG-CD2 4.34Å; L289-H309 WeakPolarHBondContact CB-CD2 3.27Å; L289-H309 HydrophobicContact CD1-CB 4.28Å
290L78.8Confident80.1Confident12 Ų1250.3 Ų50.36%0.06327%0.274CS..  trans-73.4145.3163.2-65.9166.1000108.3G211 Y212 N262 Y288 P310 P338G211-L290 PolarHBondContact O-N 2.76Å; Y212-L290 WeakPolarHBondContact O-CD1 3.13Å; N262-L290 HydrophobicContact CB-CD1 4.28Å; Y288-L290 HydrophobicContact CE2-CD2 4.03Å; L290-P310 VanDerWaalsContact O-CD 3.27Å; L290-P310 WeakPolarHBondContact O-CD 3.49Å; L290-P338 HydrophobicContact CB-CG 3.51Å
291S82.1Confident79.5Confident58 Ų5846.8 Ų46.841%0.40627%0.266SS..  trans-112150.3176.7-37.30000110.5L308 H309S291-L308 CarbonylContact C-O 3.58Å; S291-L308 VanDerWaalsContact CA-O 3.31Å; S291-L308 WeakPolarHBondContact CA-O 3.41Å; S291-H309 PolarHBondContact OG-CD2 3Å; S291-H309 PolarHBondContact OG-NE2 3.25Å
292C79.9Confident78.7Confident4 Ų450 Ų503%0.02728%0.283CS..PPolyproline II helixtrans-61.6150.3160.4-75.10000110.1L308 C332 S339 W340C292-L308 PolarHBondContact N-O 3.42Å; C292-C332 HydrophobicContact CB-CB 3.94Å; C292-C332 WeakPolarHBondContact CB-SG 3.41Å; C292-C332 WeakPolarHBondContact SG-CA 3.48Å; C292-C332 WeakPolarHBondContact SG-CB 3.4Å; C292-C332 CovalentContact SG-SG 2.04Å; C292-C332 PolarHBondContact SG-SG 2.89Å; C292-S339 PolarHBondContact SG-N 3.09Å; C292-S339 VanDerWaalsContact SG-N 3.41Å; C292-W340 HydrophobicContact CB-CD2 4.36Å; C292-W340 HydrophobicContact CB-CH2 4.47Å; C292-W340 HydrophobicContact CB-CZ2 3.77Å
293G79.2Confident78.4Confident55 Ų5549.3 Ų49.357%0.56728%0.28SS*.PPolyproline II helixtrans-63.4142.616900000110.4W340G293-W340 PolarHBondContact O-NE1 2.69Å
294F79.6Confident77.9Confident119 Ų11951.8 Ų51.852%0.52230%0.298SS..PPolyproline II helixtrans-56.7125.9176.3-168.5-82.8000109.3V303 V305 L308F294-V303 HydrophobicContact CE1-CG1 3.93Å; F294-V303 HydrophobicContact CZ-CG1 4.12Å; F294-V305 HydrophobicContact CD2-CG2 4.46Å; F294-V305 HydrophobicContact CE2-CB 4.34Å; F294-V305 HydrophobicContact CE2-CG2 3.8Å; F294-V305 HydrophobicContact CZ-CG2 3.94Å; F294-L308 HydrophobicContact CD2-CD1 4.32Å; F294-L308 HydrophobicContact CD2-CD2 4.32Å
295P79.3Confident77.4Confident1 Ų151.3 Ų51.31%0.00630%0.299CS..PPolyproline II helixtrans-66.3138.6-175.326.4-33.5000110.5R297 V303 V305 A314 F316 W340 T344P295-R297 PolarHBondContact O-N 3.45Å; P295-V303 HydrophobicContact CG-CG1 4.14Å; P295-V303 HydrophobicContact CG-CG2 3.86Å; P295-V305 HydrophobicContact CG-CG2 3.87Å; P295-A314 HydrophobicContact CG-CB 3.89Å; P295-F316 HydrophobicContact CB-CE1 4.33Å; P295-F316 HydrophobicContact CB-CZ 3.86Å; P295-F316 HydrophobicContact CG-CZ 4.35Å; P295-W340 HydrophobicContact CG-CZ2 4.29Å; P295-T344 HydrophobicContact CB-CG2 4.31Å
296P77.6Confident77.4Confident84 Ų8456 Ų5655%0.54533%0.328SS..PPolyproline II helixtrans-60.4139.2173.925.7-33.4000110.1T344P296-T344 HydrophobicContact CG-CG2 3.84Å
297R78.4Confident77.7Confident155 Ų15556.3 Ų56.359%0.58533%0.329SS*.PPolyproline II helixtrans-66.8134.3172.7-65.1-178.4-171.2-129.92.7108.7P295 D302 V303P295-R297 PolarHBondContact O-N 3.45Å; R297-D302 VanDerWaalsContact CD-OD1 3.27Å; R297-D302 WeakPolarHBondContact CD-OD1 3.45Å; R297-D302 IonicContact CZ-OD1 3.89Å; R297-D302 VanDerWaalsContact CZ-OD1 3.25Å; R297-D302 IonicContact NE-OD1 2.7Å; R297-D302 PolarHBondContact NE-OD1 2.85Å; R297-D302 IonicContact NH1-OD1 2.95Å; R297-D302 PolarHBondContact NH1-OD1 2.83Å; R297-D302 IonicContact NH1-OD2 3.76Å; R297-D302 PolarHBondContact NH1-OD2 3.19Å; R297-V303 HydrophobicContact CG-CG1 4.08Å
298P80.6Confident78.2Confident15 Ų1554.7 Ų54.710%0.09732%0.317CS..PPolyproline II helixtrans-65.9151174.628.8-33.7000110.1H300 G301 F316P298-H300 PolarHBondContact O-N 2.83Å; P298-G301 PolarHBondContact O-N 3.24Å; P298-F316 HydrophobicContact CG-CD1 4.25Å
299A78.1Confident78.4Confident71 Ų7155.7 Ų55.759%0.58732%0.323SS*.THydrogen-bonded Turntrans-64.1133.8169.800000109.4C347A299-C347 WeakPolarHBondContact O-CB 3.29Å
300H74.6Confident78.7Confident53 Ų5354.2 Ų54.225%0.24532%0.318CS..THydrogen-bonded Turntrans57.143.7-175.3-42.8-72.4000113.8P298 D319 Y322 E367P298-H300 PolarHBondContact O-N 2.83Å; H300-D319 VanDerWaalsContact CA-OD2 3.3Å; H300-D319 WeakPolarHBondContact CA-OD2 3.33Å; H300-D319 WeakPolarHBondContact O-CB 3.02Å; H300-D319 PolarHBondContact O-N 3.5Å; H300-Y322 HydrophobicContact CB-CD1 3.9Å; H300-Y322 HydrophobicContact CB-CD2 3.74Å; H300-Y322 HydrophobicContact CB-CE1 3.74Å; H300-Y322 HydrophobicContact CB-CE2 3.53Å; H300-Y322 HydrophobicContact CB-CG 3.93Å; H300-Y322 AromaticContact CD2-CE1 3.54Å; H300-Y322 AromaticContact CD2-CZ 3.63Å; H300-Y322 PolarHBondContact CE1-OH 3.24Å; H300-Y322 AromaticContact CG-CE1 3.67Å; H300-Y322 AromaticContact CG-CE2 3.82Å; H300-Y322 AromaticContact CG-CZ 3.37Å; H300-Y322 AromaticContact ND1-CZ 3.8Å; H300-Y322 PolarHBondContact ND1-OH 3.05Å; H300-E367 IonicContact CD2-OE1 2.68Å; H300-E367 IonicContact CE1-OE1 3.72Å; H300-E367 PolarHBondContact CE1-OE1 2.98Å; H300-E367 IonicContact NE2-OE1 2.91Å; H300-E367 PolarHBondContact NE2-OE1 2.91Å
301G76.8Confident78.8Confident15 Ų1556.4 Ų56.416%0.15534%0.343CS..EExtended strand (participates in β ladder)trans-170.2-173.3174.900000113P298 H317P298-G301 PolarHBondContact O-N 3.24Å; G301-H317 CarbonylContact C-O 3.33Å; G301-H317 WeakPolarHBondContact CA-O 3.35Å
302D73.4Confident78.9Confident67 Ų6754 Ų5436%0.35833%0.327SS..EExtended strand (participates in β ladder)trans-142.8171.1178.8-1555.2000112.7R297 H317R297-D302 VanDerWaalsContact CD-OD1 3.27Å; R297-D302 WeakPolarHBondContact CD-OD1 3.45Å; R297-D302 IonicContact CZ-OD1 3.89Å; R297-D302 VanDerWaalsContact CZ-OD1 3.25Å; R297-D302 IonicContact NE-OD1 2.7Å; R297-D302 PolarHBondContact NE-OD1 2.85Å; R297-D302 IonicContact NH1-OD1 2.95Å; R297-D302 PolarHBondContact NH1-OD1 2.83Å; R297-D302 IonicContact NH1-OD2 3.76Å; R297-D302 PolarHBondContact NH1-OD2 3.19Å; D302-H317 PolarHBondContact N-O 2.87Å; D302-H317 PolarHBondContact O-N 3.41Å
303V84.1Confident79.1Confident10 Ų1055.6 Ų55.66%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-130.2118.4-179.7680000112.9F294 P295 R297 V305 A314 T315 F316F294-V303 HydrophobicContact CE1-CG1 3.93Å; F294-V303 HydrophobicContact CZ-CG1 4.12Å; P295-V303 HydrophobicContact CG-CG1 4.14Å; P295-V303 HydrophobicContact CG-CG2 3.86Å; R297-V303 HydrophobicContact CG-CG1 4.08Å; V303-V305 HydrophobicContact CG1-CG2 4.43Å; V303-V305 HydrophobicContact CG2-CG2 4.15Å; V303-A314 HydrophobicContact CG2-CB 3.98Å; V303-T315 CarbonylContact C-O 3.57Å; V303-T315 WeakPolarHBondContact CA-O 3.46Å; V303-F316 HydrophobicContact CB-CD1 3.93Å; V303-F316 HydrophobicContact CB-CE1 3.9Å; V303-F316 HydrophobicContact CG2-CD1 3.73Å; V303-F316 HydrophobicContact CG2-CD2 4.28Å; V303-F316 HydrophobicContact CG2-CE1 3.51Å; V303-F316 HydrophobicContact CG2-CE2 4.05Å; V303-F316 HydrophobicContact CG2-CG 4.12Å; V303-F316 HydrophobicContact CG2-CZ 3.67Å
304S80Confident79.2Confident56 Ų5653 Ų5339%0.39231%0.31SS..EExtended strand (participates in β ladder)trans-88.2103.4172.8-62.40000110.3T315 H317S304-T315 PolarHBondContact N-O 2.04Å; S304-T315 PolarHBondContact O-N 3.19Å; S304-T315 PolarHBondContact O-OG1 2.83Å; S304-H317 PolarHBondContact OG-CD2 2.86Å; S304-H317 VanDerWaalsContact OG-CD2 3.3Å; S304-H317 PolarHBondContact OG-NE2 3.2Å
305V79.2Confident79.5Confident45 Ų4548.9 Ų48.927%0.27330%0.295SS..EExtended strand (participates in β ladder)trans-95.5129.4177.9-176.50000110.4F294 P295 V303 L308 A314F294-V305 HydrophobicContact CD2-CG2 4.46Å; F294-V305 HydrophobicContact CE2-CB 4.34Å; F294-V305 HydrophobicContact CE2-CG2 3.8Å; F294-V305 HydrophobicContact CZ-CG2 3.94Å; P295-V305 HydrophobicContact CG-CG2 3.87Å; V303-V305 HydrophobicContact CG1-CG2 4.43Å; V303-V305 HydrophobicContact CG2-CG2 4.15Å; V305-L308 HydrophobicContact CG1-CD2 3.72Å; V305-L308 HydrophobicContact CG1-CG 4.09Å; V305-A314 HydrophobicContact CG2-CB 4.11Å
306T77.1Confident79.8Confident103 Ų10348.9 Ų48.963%0.63230%0.295SS*.SBendtrans-88.9-47176.859.60000112.1T313T306-T313 WeakPolarHBondContact CG2-OG1 3.21Å; T306-T313 PolarHBondContact N-O 3.39Å; T306-T313 PolarHBondContact OG1-N 2.91Å; T306-T313 VanDerWaalsContact OG1-N 3.09Å; T306-T313 PolarHBondContact OG1-O 2.89Å; T306-T313 VanDerWaalsContact OG1-O 3.06Å; T306-T313 PolarHBondContact OG1-OG1 3.27Å
307D72.8Confident80Confident71 Ų7148.5 Ų48.538%0.3829%0.286SS..  trans-154.1153173.6-166.9-1.1000109H309 G312D307-H309 IonicContact OD1-CE1 2.81Å; D307-H309 IonicContact OD1-CG 3.15Å; D307-H309 PolarHBondContact OD1-N 3.08Å; D307-H309 VanDerWaalsContact OD1-N 3.14Å; D307-H309 IonicContact OD1-ND1 3.27Å; D307-H309 PolarHBondContact OD1-ND1 2.83Å; D307-H309 IonicContact OD2-CG 2.75Å; D307-H309 IonicContact OD2-ND1 2.71Å; D307-H309 PolarHBondContact OD2-ND1 2.88Å; D307-G312 WeakPolarHBondContact O-CA 3.44Å
308L76.9Confident80.2Confident44 Ų4442.9 Ų42.923%0.2327%0.27CS..SBendtrans-99.5-8.9175.1-65.3172.5000112.8S291 C292 F294 V305 C332 W340S291-L308 CarbonylContact C-O 3.58Å; S291-L308 VanDerWaalsContact CA-O 3.31Å; S291-L308 WeakPolarHBondContact CA-O 3.41Å; C292-L308 PolarHBondContact N-O 3.42Å; F294-L308 HydrophobicContact CD2-CD1 4.32Å; F294-L308 HydrophobicContact CD2-CD2 4.32Å; V305-L308 HydrophobicContact CG1-CD2 3.72Å; V305-L308 HydrophobicContact CG1-CG 4.09Å; L308-C332 PolarHBondContact O-SG 3.37Å; L308-W340 HydrophobicContact CD2-CH2 4.36Å; L308-W340 HydrophobicContact CD2-CZ2 3.84Å
309H80.6Confident80.1Confident59 Ų5946.3 Ų46.327%0.27329%0.287SS..SBendtrans-74.9162.4175.2-56.7104.5000112.1L289 S291 D307 G311 G312 C332L289-H309 WeakPolarHBondContact CB-CD2 3.27Å; L289-H309 HydrophobicContact CD1-CB 4.28Å; S291-H309 PolarHBondContact OG-CD2 3Å; S291-H309 PolarHBondContact OG-NE2 3.25Å; D307-H309 IonicContact OD1-CE1 2.81Å; D307-H309 IonicContact OD1-CG 3.15Å; D307-H309 PolarHBondContact OD1-N 3.08Å; D307-H309 VanDerWaalsContact OD1-N 3.14Å; D307-H309 IonicContact OD1-ND1 3.27Å; D307-H309 PolarHBondContact OD1-ND1 2.83Å; D307-H309 IonicContact OD2-CG 2.75Å; D307-H309 IonicContact OD2-ND1 2.71Å; D307-H309 PolarHBondContact OD2-ND1 2.88Å; H309-G311 PolarHBondContact O-N 2.88Å; H309-G312 WeakPolarHBondContact O-CA 3.39Å; H309-G312 PolarHBondContact O-N 3.19Å; H309-C332 WeakPolarHBondContact O-CB 3.46Å
310P82.9Confident80.1Confident42 Ų4246 Ų4627%0.27328%0.28SS..THydrogen-bonded Turntrans-55.3127.8178.5-28.135.4000113L290 C332 N334 P338L290-P310 VanDerWaalsContact O-CD 3.27Å; L290-P310 WeakPolarHBondContact O-CD 3.49Å; P310-C332 CarbonylContact C-O 3.56Å; P310-C332 WeakPolarHBondContact CA-O 3.13Å; P310-N334 HydrophobicContact CB-CB 3.96Å; P310-N334 HydrophobicContact CG-CB 4.46Å; P310-P338 HydrophobicContact CG-CB 4.36Å; P310-P338 HydrophobicContact CG-CG 4.11Å
311G82.3Confident80Confident57 Ų5744.2 Ų44.259%0.58828%0.277SS*.THydrogen-bonded Turntrans92.9-13.4-170.200000114.7H309 C332H309-G311 PolarHBondContact O-N 2.88Å; G311-C332 PolarHBondContact N-O 2.82Å
312G82.9Confident80.2Confident7 Ų745.2 Ų45.27%0.07228%0.276CS..  trans-68.2156.6170.700000112.9D307 H309 C332D307-G312 WeakPolarHBondContact O-CA 3.44Å; H309-G312 WeakPolarHBondContact O-CA 3.39Å; H309-G312 PolarHBondContact O-N 3.19Å; G312-C332 PolarHBondContact O-N 3.22Å
313T85Confident80.6Confident39 Ų3948.1 Ų48.124%0.23929%0.287CS..EExtended strand (participates in β ladder)trans-124.2147.3-173.963.80000113.3T306 T329 L330 I331T306-T313 WeakPolarHBondContact CG2-OG1 3.21Å; T306-T313 PolarHBondContact N-O 3.39Å; T306-T313 PolarHBondContact OG1-N 2.91Å; T306-T313 VanDerWaalsContact OG1-N 3.09Å; T306-T313 PolarHBondContact OG1-O 2.89Å; T306-T313 VanDerWaalsContact OG1-O 3.06Å; T306-T313 PolarHBondContact OG1-OG1 3.27Å; T313-T329 HydrophobicContact CG2-CG2 4.29Å; T313-L330 CarbonylContact C-O 3.46Å; T313-L330 WeakPolarHBondContact CA-O 3.28Å; T313-I331 HydrophobicContact CG2-CG1 4.34Å
314A81.4Confident80.7Confident0 Ų050.2 Ų50.20%030%0.298CS..EExtended strand (participates in β ladder)trans-122.3118171.800000109.5P295 V303 V305 F316 T329 L330 W340P295-A314 HydrophobicContact CG-CB 3.89Å; V303-A314 HydrophobicContact CG2-CB 3.98Å; V305-A314 HydrophobicContact CG2-CB 4.11Å; A314-F316 HydrophobicContact CB-CE2 4.08Å; A314-F316 HydrophobicContact CB-CZ 4.39Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; A314-T329 CarbonylContact O-C 3.54Å; A314-T329 WeakPolarHBondContact O-CA 3.17Å; A314-L330 PolarHBondContact N-O 2.91Å; A314-L330 PolarHBondContact O-N 2.79Å; A314-W340 HydrophobicContact CB-CE3 4.33Å; A314-W340 HydrophobicContact CB-CH2 3.71Å; A314-W340 HydrophobicContact CB-CZ2 4.22Å; A314-W340 HydrophobicContact CB-CZ3 3.76Å
315T85.8Confident81Confident32 Ų3252.6 Ų52.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-103.8127.2-175.9-21.60000109.1V303 S304 E328V303-T315 CarbonylContact C-O 3.57Å; V303-T315 WeakPolarHBondContact CA-O 3.46Å; S304-T315 PolarHBondContact N-O 2.04Å; S304-T315 PolarHBondContact O-N 3.19Å; S304-T315 PolarHBondContact O-OG1 2.83Å; T315-E328 WeakPolarHBondContact CA-O 3.28Å
316F86.5Confident81.4Confident1 Ų153.5 Ų53.50%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-103.3140-174.9-65.7-95.6000111.3P295 P298 V303 A314 L324 E328 L330 T344 P345P295-F316 HydrophobicContact CB-CE1 4.33Å; P295-F316 HydrophobicContact CB-CZ 3.86Å; P295-F316 HydrophobicContact CG-CZ 4.35Å; P298-F316 HydrophobicContact CG-CD1 4.25Å; V303-F316 HydrophobicContact CB-CD1 3.93Å; V303-F316 HydrophobicContact CB-CE1 3.9Å; V303-F316 HydrophobicContact CG2-CD1 3.73Å; V303-F316 HydrophobicContact CG2-CD2 4.28Å; V303-F316 HydrophobicContact CG2-CE1 3.51Å; V303-F316 HydrophobicContact CG2-CE2 4.05Å; V303-F316 HydrophobicContact CG2-CG 4.12Å; V303-F316 HydrophobicContact CG2-CZ 3.67Å; A314-F316 HydrophobicContact CB-CE2 4.08Å; A314-F316 HydrophobicContact CB-CZ 4.39Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; F316-L324 HydrophobicContact CB-CD1 4.1Å; F316-L324 HydrophobicContact CB-CD2 4.12Å; F316-E328 PolarHBondContact N-O 3.02Å; F316-L330 HydrophobicContact CE2-CB 4.15Å; F316-L330 HydrophobicContact CE2-CD1 3.72Å; F316-L330 HydrophobicContact CE2-CG 3.74Å; F316-L330 HydrophobicContact CZ-CD1 3.96Å; F316-L330 HydrophobicContact CZ-CG 4.48Å; F316-T344 HydrophobicContact CE1-CG2 4.01Å; F316-T344 HydrophobicContact CZ-CG2 3.85Å; F316-P345 HydrophobicContact CB-CG 3.58Å; F316-P345 HydrophobicContact CD1-CG 3.82Å; F316-P345 HydrophobicContact CD2-CG 3.76Å; F316-P345 HydrophobicContact CE1-CG 4.45Å; F316-P345 HydrophobicContact CE2-CG 4.42Å; F316-P345 HydrophobicContact CG-CG 3.42Å; F316-P345 VanDerWaalsContact CG-CG 3.42Å
317H81.8Confident81.9Confident77 Ų7753 Ų5336%0.35631%0.312SS..EExtended strand (participates in β ladder)trans-133.8144.1-177.4-50.7-43.3000109.5G301 D302 S304G301-H317 CarbonylContact C-O 3.33Å; G301-H317 WeakPolarHBondContact CA-O 3.35Å; D302-H317 PolarHBondContact N-O 2.87Å; D302-H317 PolarHBondContact O-N 3.41Å; S304-H317 PolarHBondContact OG-CD2 2.86Å; S304-H317 VanDerWaalsContact OG-CD2 3.3Å; S304-H317 PolarHBondContact OG-NE2 3.2Å
318C81.1Confident82.6Confident37 Ų3755.5 Ų55.525%0.2532%0.321CS..EExtended strand (participates in β ladder)trans-105.9151.9177.6-62.20000112.1L324 C347C318-L324 VanDerWaalsContact SG-CA 3.56Å; C318-L324 WeakPolarHBondContact SG-CD1 3.34Å; C318-C347 WeakPolarHBondContact CA-SG 3.19Å; C318-C347 HydrophobicContact CB-CB 3.78Å; C318-C347 WeakPolarHBondContact CB-SG 3.44Å; C318-C347 VanDerWaalsContact SG-CA 3.56Å; C318-C347 WeakPolarHBondContact SG-CB 3.05Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 3.43Å
319D78.5Confident83.2Confident87 Ų8755.8 Ų55.847%0.46533%0.325SS..  trans-63.8155.4171.9-75.2-38.6000111.5H300 G321 Y322H300-D319 VanDerWaalsContact CA-OD2 3.3Å; H300-D319 WeakPolarHBondContact CA-OD2 3.33Å; H300-D319 WeakPolarHBondContact O-CB 3.02Å; H300-D319 PolarHBondContact O-N 3.5Å; D319-G321 PolarHBondContact O-N 3.47Å; D319-G321 VanDerWaalsContact O-N 3.16Å; D319-Y322 HydrophobicContact CB-CD2 4.03Å; D319-Y322 PolarHBondContact O-N 2.8Å
320S77.9Confident83.5Confident63 Ų6353 Ų5344%0.44131%0.312SS..THydrogen-bonded Turntrans-52.1121.6179.760.50000111.9R362S320-R362 WeakPolarHBondContact O-CB 3.33Å; S320-R362 WeakPolarHBondContact O-CD 3.45Å; S320-R362 WeakPolarHBondContact OG-CB 3.3Å; S320-R362 PolarHBondContact OG-NE 3.38Å
321G72.6Confident83.9Confident17 Ų1754.6 Ų54.618%0.17532%0.318CS..THydrogen-bonded Turntrans97.3-8.8-178.700000115D319 S350 R362 V364D319-G321 PolarHBondContact O-N 3.47Å; D319-G321 VanDerWaalsContact O-N 3.16Å; G321-S350 PolarHBondContact O-N 3.43Å; G321-S350 PolarHBondContact O-OG 2.9Å; G321-R362 WeakPolarHBondContact CA-O 3.43Å; G321-V364 VanDerWaalsContact O-CG2 3.24Å; G321-V364 WeakPolarHBondContact O-CG2 3.06Å
322Y81Confident84.1Confident35 Ų3552 Ų5214%0.13729%0.29CS..EExtended strand (participates in β ladder)trans-100.7153.3168.6-63.6-95.6000110.7H300 D319 M348 A349 V364H300-Y322 HydrophobicContact CB-CD1 3.9Å; H300-Y322 HydrophobicContact CB-CD2 3.74Å; H300-Y322 HydrophobicContact CB-CE1 3.74Å; H300-Y322 HydrophobicContact CB-CE2 3.53Å; H300-Y322 HydrophobicContact CB-CG 3.93Å; H300-Y322 AromaticContact CD2-CE1 3.54Å; H300-Y322 AromaticContact CD2-CZ 3.63Å; H300-Y322 PolarHBondContact CE1-OH 3.24Å; H300-Y322 AromaticContact CG-CE1 3.67Å; H300-Y322 AromaticContact CG-CE2 3.82Å; H300-Y322 AromaticContact CG-CZ 3.37Å; H300-Y322 AromaticContact ND1-CZ 3.8Å; H300-Y322 PolarHBondContact ND1-OH 3.05Å; D319-Y322 HydrophobicContact CB-CD2 4.03Å; D319-Y322 PolarHBondContact O-N 2.8Å; Y322-M348 CarbonylContact C-O 3.47Å; Y322-M348 WeakPolarHBondContact CA-O 3.5Å; Y322-A349 HydrophobicContact CD1-CB 4.05Å; Y322-A349 HydrophobicContact CE1-CB 3.89Å; Y322-V364 HydrophobicContact CD2-CG2 4.03Å; Y322-V364 HydrophobicContact CE1-CG2 4.27Å; Y322-V364 HydrophobicContact CE2-CB 4.4Å; Y322-V364 HydrophobicContact CE2-CG1 4.14Å; Y322-V364 HydrophobicContact CE2-CG2 3.81Å; Y322-V364 HydrophobicContact CG-CG2 4.37Å
323Q82.9Confident84.4Confident128 Ų12855.4 Ų55.460%0.59831%0.306SS*.EExtended strand (participates in β ladder)trans-123.2142.3176.2-66.5-176.91.600109.8M348Q323-M348 PolarHBondContact N-O 3.34Å; Q323-M348 PolarHBondContact O-N 3.01Å
324L85.6Confident84.4Confident55 Ų5559.1 Ų59.129%0.28833%0.325SS..EExtended strand (participates in β ladder)trans-78.4129.8-176.7-163.173000111.1F316 C318 E328 P345F316-L324 HydrophobicContact CB-CD1 4.1Å; F316-L324 HydrophobicContact CB-CD2 4.12Å; C318-L324 VanDerWaalsContact SG-CA 3.56Å; C318-L324 WeakPolarHBondContact SG-CD1 3.34Å; L324-E328 HydrophobicContact CD2-CB 3.95Å; L324-E328 HydrophobicContact CD2-CG 4.04Å; L324-P345 HydrophobicContact CD1-CB 3.74Å; L324-P345 HydrophobicContact CD1-CG 3.8Å; L324-P345 HydrophobicContact CD2-CB 4.28Å; L324-P345 HydrophobicContact CD2-CG 4.23Å; L324-P345 HydrophobicContact CG-CB 3.89Å; L324-P345 HydrophobicContact CG-CG 4.24Å
325Q87.6Confident84.4Confident105 Ų10560.1 Ų60.149%0.49134%0.335SS..EExtended strand (participates in β ladder)trans-116.4110.1173.4-179.8-173.152.600109.2P345 S346 M348Q325-P345 WeakPolarHBondContact O-CA 3.35Å; Q325-P345 WeakPolarHBondContact O-CB 3.48Å; Q325-S346 PolarHBondContact N-O 2.86Å; Q325-S346 PolarHBondContact O-N 2.67Å; Q325-S346 PolarHBondContact OE1-OG 2.94Å; Q325-M348 HydrophobicContact CB-CE 4.16Å; Q325-M348 HydrophobicContact CB-CG 4.47Å; Q325-M348 VanDerWaalsContact CD-CE 3.5Å; Q325-M348 HydrophobicContact CG-CE 4.26Å; Q325-M348 PolarHBondContact OE1-SD 3.09Å; Q325-M348 VanDerWaalsContact OE1-SD 3.37Å
326G86Confident84.1Confident64 Ų6461 Ų6166%0.6634%0.34SS*.SBendtrans135.9-155.4-178.400000111.1
327E88.8Confident83.8Confident94 Ų9466.9 Ų66.944%0.43936%0.362SS..  trans-88.6127.4175-166.9171.9-15100110.2T329 L330 N341 P345E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 WeakPolarHBondContact CG-O 3.47Å; E327-T329 PolarHBondContact O-N 2.91Å; E327-L330 HydrophobicContact CB-CD2 4.13Å; E327-L330 HydrophobicContact CG-CD2 4.49Å; E327-L330 WeakPolarHBondContact OE2-CD2 3.36Å; E327-N341 PolarHBondContact OE2-ND2 3.16Å; E327-P345 WeakPolarHBondContact O-CG 3.49Å
328E86.6Confident83.8Confident123 Ų12363.6 Ų63.658%0.57535%0.348SS*.SBendtrans-68.5-26.2-176.9-174.5178.5179.300113.2T315 F316 L324T315-E328 WeakPolarHBondContact CA-O 3.28Å; F316-E328 PolarHBondContact N-O 3.02Å; L324-E328 HydrophobicContact CD2-CB 3.95Å; L324-E328 HydrophobicContact CD2-CG 4.04Å
329T90Very high84.1Confident50 Ų5065.1 Ų65.131%0.30736%0.359SS..EExtended strand (participates in β ladder)trans-135.3117.7-179.3-54.10000110.3T313 A314 E327T313-T329 HydrophobicContact CG2-CG2 4.29Å; A314-T329 CarbonylContact O-C 3.54Å; A314-T329 WeakPolarHBondContact O-CA 3.17Å; E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 WeakPolarHBondContact CG-O 3.47Å; E327-T329 PolarHBondContact O-N 2.91Å
330L87.7Confident84.6Confident1 Ų162.8 Ų62.81%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-92.8148.9169.8-61.1-179.8000110.6T313 A314 F316 E327 W340 N341 T344T313-L330 CarbonylContact C-O 3.46Å; T313-L330 WeakPolarHBondContact CA-O 3.28Å; A314-L330 PolarHBondContact N-O 2.91Å; A314-L330 PolarHBondContact O-N 2.79Å; F316-L330 HydrophobicContact CE2-CB 4.15Å; F316-L330 HydrophobicContact CE2-CD1 3.72Å; F316-L330 HydrophobicContact CE2-CG 3.74Å; F316-L330 HydrophobicContact CZ-CD1 3.96Å; F316-L330 HydrophobicContact CZ-CG 4.48Å; E327-L330 HydrophobicContact CB-CD2 4.13Å; E327-L330 HydrophobicContact CG-CD2 4.49Å; E327-L330 WeakPolarHBondContact OE2-CD2 3.36Å; L330-W340 HydrophobicContact CB-CB 4.32Å; L330-W340 HydrophobicContact CB-CD2 4.31Å; L330-W340 HydrophobicContact CB-CE3 3.76Å; L330-W340 HydrophobicContact CD1-CB 4.16Å; L330-W340 HydrophobicContact CD1-CG 4.5Å; L330-N341 VanDerWaalsContact CA-OD1 3.26Å; L330-N341 WeakPolarHBondContact CA-OD1 3.1Å; L330-N341 WeakPolarHBondContact CB-OD1 3.38Å; L330-N341 WeakPolarHBondContact CD2-OD1 3.46Å; L330-T344 HydrophobicContact CD1-CG2 4.28Å
331I90.4Very high85.2Confident75 Ų7562.6 Ų62.639%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-118.1132.2-179.4-51.1-179.9000109T313 L333 W340 N341T313-I331 HydrophobicContact CG2-CG1 4.34Å; I331-L333 PolarHBondContact O-N 2.98Å; I331-W340 VanDerWaalsContact C-CE3 3.46Å; I331-N341 PolarHBondContact N-OD1 3.47Å; I331-N341 PolarHBondContact O-N 3.42Å; I331-N341 VanDerWaalsContact O-N 3.1Å; I331-N341 PolarHBondContact O-OD1 3.35Å
332C87.3Confident85.9Confident2 Ų263.4 Ų63.41%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-73.9113.4175.7-177.20000109.9C292 L308 H309 P310 G311 G312 W340C292-C332 HydrophobicContact CB-CB 3.94Å; C292-C332 WeakPolarHBondContact CB-SG 3.41Å; C292-C332 WeakPolarHBondContact SG-CA 3.48Å; C292-C332 WeakPolarHBondContact SG-CB 3.4Å; C292-C332 CovalentContact SG-SG 2.04Å; C292-C332 PolarHBondContact SG-SG 2.89Å; L308-C332 PolarHBondContact O-SG 3.37Å; H309-C332 WeakPolarHBondContact O-CB 3.46Å; P310-C332 CarbonylContact C-O 3.56Å; P310-C332 WeakPolarHBondContact CA-O 3.13Å; G311-C332 PolarHBondContact N-O 2.82Å; G312-C332 PolarHBondContact O-N 3.22Å; C332-W340 HydrophobicContact CB-CE3 4.18Å; C332-W340 HydrophobicContact CB-CH2 4.11Å; C332-W340 HydrophobicContact CB-CZ3 3.85Å
333L88.7Confident86.2Confident78 Ų7870.4 Ų70.441%0.40838%0.38SS..EExtended strand (participates in β ladder)trans-81.7146.8-178.9-60.4-176.5000111.8I331 P338 S339 N341I331-L333 PolarHBondContact O-N 2.98Å; L333-P338 WeakPolarHBondContact O-CA 3.2Å; L333-S339 WeakPolarHBondContact CB-O 3.46Å; L333-S339 PolarHBondContact N-O 3.18Å; L333-N341 HydrophobicContact CD1-CB 3.91Å; L333-N341 HydrophobicContact CD2-CB 4.05Å; L333-N341 HydrophobicContact CG-CB 3.92Å
334N85.5Confident86.2Confident118 Ų11867.3 Ų67.363%0.63137%0.37SS*.  trans-74.1143.7169.265.7-16.4000110.7P310P310-N334 HydrophobicContact CB-CB 3.96Å; P310-N334 HydrophobicContact CG-CB 4.46Å
335G80.1Confident86.2Confident20 Ų2065 Ų6521%0.20636%0.358CS..SBendtrans-176.4-175.7-17400000112.5G211 R337G211-G335 PolarHBondContact N-O 2.92Å; G335-R337 VanDerWaalsContact C-N 3.28Å
336T78.8Confident86.1Confident50 Ų5062.4 Ų62.431%0.30735%0.352SS..SBendtrans-69.4-32.8173.755.80000111.7G235 T261 N262G235-T336 VanDerWaalsContact O-CB 3.29Å; G235-T336 WeakPolarHBondContact O-CB 3.41Å; G235-T336 PolarHBondContact O-OG1 2.9Å; T261-T336 CarbonylContact C-O 3.54Å; T261-T336 WeakPolarHBondContact CA-O 3.4Å; T261-T336 VanDerWaalsContact CB-O 3.24Å; T261-T336 WeakPolarHBondContact CB-O 3.26Å; N262-T336 PolarHBondContact N-O 3.24Å; N262-T336 WeakPolarHBondContact OD1-CA 3.34Å; N262-T336 VanDerWaalsContact OD1-CB 3.3Å; N262-T336 WeakPolarHBondContact OD1-CB 3.29Å; N262-T336 WeakPolarHBondContact OD1-CG2 3.36Å
337R81.6Confident86.1Confident125 Ų12560 Ų6047%0.47233%0.325SS..SBendtrans-129.1123.4159.5175.8174.1-67.7-112.7-10106.1P260 T261 G335P260-R337 PolarHBondContact O-NH2 2.89Å; T261-R337 HydrophobicContact CG2-CB 4.25Å; G335-R337 VanDerWaalsContact C-N 3.28Å
338P82.1Confident85.7Confident8 Ų859.2 Ų59.25%0.05232%0.322CS..  trans-60141.1174.5-24.735.2000111.6L290 P310 L333L290-P338 HydrophobicContact CB-CG 3.51Å; P310-P338 HydrophobicContact CG-CB 4.36Å; P310-P338 HydrophobicContact CG-CG 4.11Å; L333-P338 WeakPolarHBondContact O-CA 3.2Å
339S86.4Confident85.4Confident69 Ų6954 Ų5448%0.48330%0.3SS..EExtended strand (participates in β ladder)trans-143.8154.8176.863.70000110.1C292 L333C292-S339 PolarHBondContact SG-N 3.09Å; C292-S339 VanDerWaalsContact SG-N 3.41Å; L333-S339 WeakPolarHBondContact CB-O 3.46Å; L333-S339 PolarHBondContact N-O 3.18Å
340W88.4Confident84.7Confident39 Ų3952.9 Ų52.915%0.14829%0.294CS..EExtended strand (participates in β ladder)trans-62.1152.5169.2-59.3106.2000110.7C292 G293 P295 L308 A314 L330 I331 C332 G342C292-W340 HydrophobicContact CB-CD2 4.36Å; C292-W340 HydrophobicContact CB-CH2 4.47Å; C292-W340 HydrophobicContact CB-CZ2 3.77Å; G293-W340 PolarHBondContact O-NE1 2.69Å; P295-W340 HydrophobicContact CG-CZ2 4.29Å; L308-W340 HydrophobicContact CD2-CH2 4.36Å; L308-W340 HydrophobicContact CD2-CZ2 3.84Å; A314-W340 HydrophobicContact CB-CE3 4.33Å; A314-W340 HydrophobicContact CB-CH2 3.71Å; A314-W340 HydrophobicContact CB-CZ2 4.22Å; A314-W340 HydrophobicContact CB-CZ3 3.76Å; L330-W340 HydrophobicContact CB-CB 4.32Å; L330-W340 HydrophobicContact CB-CD2 4.31Å; L330-W340 HydrophobicContact CB-CE3 3.76Å; L330-W340 HydrophobicContact CD1-CB 4.16Å; L330-W340 HydrophobicContact CD1-CG 4.5Å; I331-W340 VanDerWaalsContact C-CE3 3.46Å; C332-W340 HydrophobicContact CB-CE3 4.18Å; C332-W340 HydrophobicContact CB-CH2 4.11Å; C332-W340 HydrophobicContact CB-CZ3 3.85Å; W340-G342 VanDerWaalsContact C-N 3.27Å; W340-G342 PolarHBondContact O-N 2.73Å
341N91.8Very high84.3Confident59 Ų5955.3 Ų55.332%0.31631%0.311SS..SBendtrans-72.5-16.9-178.267.9-60.9000114.3E327 L330 I331 L333E327-N341 PolarHBondContact OE2-ND2 3.16Å; L330-N341 VanDerWaalsContact CA-OD1 3.26Å; L330-N341 WeakPolarHBondContact CA-OD1 3.1Å; L330-N341 WeakPolarHBondContact CB-OD1 3.38Å; L330-N341 WeakPolarHBondContact CD2-OD1 3.46Å; I331-N341 PolarHBondContact N-OD1 3.47Å; I331-N341 PolarHBondContact O-N 3.42Å; I331-N341 VanDerWaalsContact O-N 3.1Å; I331-N341 PolarHBondContact O-OD1 3.35Å; L333-N341 HydrophobicContact CD1-CB 3.91Å; L333-N341 HydrophobicContact CD2-CB 4.05Å; L333-N341 HydrophobicContact CG-CB 3.92Å
342G87Confident83.9Confident34 Ų3452.6 Ų52.635%0.35130%0.301SS..SBendtrans-150.9-178.9-177.500000112.3W340W340-G342 VanDerWaalsContact C-N 3.27Å; W340-G342 PolarHBondContact O-N 2.73Å
343E86.6Confident83.8Confident182 Ų18254.5 Ų54.585%0.8532%0.321SS*.PPolyproline II helixtrans-80.1152.6174.3-61.7-178.2164.300110.5
344T82.4Confident83.9Confident63 Ų6354.3 Ų54.339%0.38732%0.323SS..PPolyproline II helixtrans-67.8131.5179.446.90000111.4P295 P296 F316 L330P295-T344 HydrophobicContact CB-CG2 4.31Å; P296-T344 HydrophobicContact CG-CG2 3.84Å; F316-T344 HydrophobicContact CE1-CG2 4.01Å; F316-T344 HydrophobicContact CZ-CG2 3.85Å; L330-T344 HydrophobicContact CD1-CG2 4.28Å
345P87.6Confident84Confident6 Ų651.1 Ų51.14%0.03931%0.305CS..PPolyproline II helixtrans-66.5156.5-179.530.7-38.5000112.3F316 L324 Q325 E327F316-P345 HydrophobicContact CB-CG 3.58Å; F316-P345 HydrophobicContact CD1-CG 3.82Å; F316-P345 HydrophobicContact CD2-CG 3.76Å; F316-P345 HydrophobicContact CE1-CG 4.45Å; F316-P345 HydrophobicContact CE2-CG 4.42Å; F316-P345 HydrophobicContact CG-CG 3.42Å; F316-P345 VanDerWaalsContact CG-CG 3.42Å; L324-P345 HydrophobicContact CD1-CB 3.74Å; L324-P345 HydrophobicContact CD1-CG 3.8Å; L324-P345 HydrophobicContact CD2-CB 4.28Å; L324-P345 HydrophobicContact CD2-CG 4.23Å; L324-P345 HydrophobicContact CG-CB 3.89Å; L324-P345 HydrophobicContact CG-CG 4.24Å; Q325-P345 WeakPolarHBondContact O-CA 3.35Å; Q325-P345 WeakPolarHBondContact O-CB 3.48Å; E327-P345 WeakPolarHBondContact O-CG 3.49Å
346S84.9Confident84.5Confident50 Ų5056 Ų5635%0.3532%0.322SS..EExtended strand (participates in β ladder)trans-102150.1174.559.10000111.2Q325Q325-S346 PolarHBondContact N-O 2.86Å; Q325-S346 PolarHBondContact O-N 2.67Å; Q325-S346 PolarHBondContact OE1-OG 2.94Å
347C84.7Confident84.9Confident14 Ų1459.2 Ų59.210%0.09534%0.338CS..EExtended strand (participates in β ladder)trans-101.9112.1170.7-70.50000109.1A299 C318A299-C347 WeakPolarHBondContact O-CB 3.29Å; C318-C347 WeakPolarHBondContact CA-SG 3.19Å; C318-C347 HydrophobicContact CB-CB 3.78Å; C318-C347 WeakPolarHBondContact CB-SG 3.44Å; C318-C347 VanDerWaalsContact SG-CA 3.56Å; C318-C347 WeakPolarHBondContact SG-CB 3.05Å; C318-C347 CovalentContact SG-SG 2.04Å; C318-C347 PolarHBondContact SG-SG 3.43Å
348M81.4Confident84.9Confident77 Ų7753.5 Ų53.538%0.37932%0.317SS..EExtended strand (participates in β ladder)trans-104.1137.6-179.4-65.8-157.9-56.100111.6Y322 Q323 Q325 S350Y322-M348 CarbonylContact C-O 3.47Å; Y322-M348 WeakPolarHBondContact CA-O 3.5Å; Q323-M348 PolarHBondContact N-O 3.34Å; Q323-M348 PolarHBondContact O-N 3.01Å; Q325-M348 HydrophobicContact CB-CE 4.16Å; Q325-M348 HydrophobicContact CB-CG 4.47Å; Q325-M348 VanDerWaalsContact CD-CE 3.5Å; Q325-M348 HydrophobicContact CG-CE 4.26Å; Q325-M348 PolarHBondContact OE1-SD 3.09Å; Q325-M348 VanDerWaalsContact OE1-SD 3.37Å; M348-S350 PolarHBondContact O-N 2.96Å
349A80.1Confident84.9Confident14 Ų1457.1 Ų57.112%0.11634%0.339CS..EExtended strand (participates in β ladder)trans-64.8128.9175.900000111.1Y322 C351 V364 S365 P366Y322-A349 HydrophobicContact CD1-CB 4.05Å; Y322-A349 HydrophobicContact CE1-CB 3.89Å; A349-C351 PolarHBondContact O-N 3.31Å; A349-V364 HydrophobicContact CB-CB 4.25Å; A349-V364 HydrophobicContact CB-CG2 3.7Å; A349-S365 WeakPolarHBondContact CB-O 3.36Å; A349-P366 HydrophobicContact CB-CG 4.27Å
350S75.6Confident84.8Confident27 Ų2758.7 Ų58.719%0.18934%0.342CS..  trans-76.695.917857.60000111G321 M348 G352 W380G321-S350 PolarHBondContact O-N 3.43Å; G321-S350 PolarHBondContact O-OG 2.9Å; M348-S350 PolarHBondContact O-N 2.96Å; S350-G352 PolarHBondContact O-N 2.83Å; S350-W380 PolarHBondContact O-NE1 3.06Å
351C78.8Confident84.4Confident52 Ų5257.6 Ų57.635%0.35134%0.343SS..  trans-69.187.6175.9179.60000111.6A349 P366 C378A349-C351 PolarHBondContact O-N 3.31Å; C351-P366 HydrophobicContact CB-CG 3.74Å; C351-C378 VanDerWaalsContact CA-SG 3.57Å; C351-C378 HydrophobicContact CB-CB 4.07Å; C351-C378 WeakPolarHBondContact CB-SG 3.45Å; C351-C378 WeakPolarHBondContact SG-CA 3.17Å; C351-C378 WeakPolarHBondContact SG-CB 3.03Å; C351-C378 CovalentContact SG-SG 2.04Å; C351-C378 PolarHBondContact SG-SG 3.35Å
352G81.5Confident83.9Confident18 Ų1857.7 Ų57.719%0.18634%0.339CS..SBendtrans85.8178.4-177.500000115.2S350 R379 W380S350-G352 PolarHBondContact O-N 2.83Å; G352-R379 CarbonylContact C-O 3.52Å; G352-R379 WeakPolarHBondContact CA-O 3.37Å; G352-W380 VanDerWaalsContact N-NE1 3.11Å
353G86.3Confident84Confident41 Ų4156.2 Ų56.242%0.42332%0.323SS..EExtended strand (participates in β ladder)trans128.5-178.9-175.500000112.7R379 W380 V381G353-R379 PolarHBondContact N-O 2.88Å; G353-W380 WeakPolarHBondContact O-CA 3.45Å; G353-V381 PolarHBondContact O-N 3.09Å
354T89.6Confident83.9Confident74 Ų7447.8 Ų47.845%0.45428%0.284SS..EExtended strand (participates in β ladder)trans-118.3129.6178.5-53.30000111.2H356 V381T354-H356 WeakPolarHBondContact CG2-CE1 3.37Å; T354-V381 CarbonylContact C-O 3.58Å; T354-V381 VanDerWaalsContact CA-O 3.32Å; T354-V381 WeakPolarHBondContact CA-O 3.47Å; T354-V381 HydrophobicContact CG2-CB 4.01Å; T354-V381 HydrophobicContact CG2-CG1 4.17Å
355I88.6Confident83.8Confident51 Ų5145 Ų4526%0.26227%0.267SS..EExtended strand (participates in β ladder)trans-109.494.6179.8-53.7179.8000108.3A358 I363 V381 E383 F458I355-A358 HydrophobicContact CG2-CB 4.21Å; I355-I363 HydrophobicContact CD1-CG2 3.83Å; I355-V381 PolarHBondContact N-O 2.85Å; I355-E383 PolarHBondContact O-N 2.84Å; I355-F458 HydrophobicContact CD1-CE1 3.63Å; I355-F458 HydrophobicContact CD1-CZ 3.73Å; I355-F458 HydrophobicContact CG2-CE2 4.31Å; I355-F458 HydrophobicContact CG2-CZ 3.93Å
356H89.6Confident83.3Confident122 Ų12245.5 Ų45.557%0.56527%0.27SS*.EExtended strand (participates in β ladder)trans-80.6147.2177.6-55.8-70.4000112T354 A358 E383T354-H356 WeakPolarHBondContact CG2-CE1 3.37Å; H356-A358 VanDerWaalsContact C-N 3.26Å; H356-A358 PolarHBondContact O-N 3Å; H356-E383 CarbonylContact C-O 3.59Å; H356-E383 IonicContact CE1-OE2 2.98Å; H356-E383 PolarHBondContact CE1-OE2 2.8Å; H356-E383 IonicContact CG-OE2 2.84Å; H356-E383 IonicContact ND1-OE2 3.22Å; H356-E383 PolarHBondContact ND1-OE2 3Å
357N87.1Confident82.6Confident118 Ų11847.6 Ų47.663%0.63128%0.275SS*.EExtended strand (participates in β ladder)trans52.740.5-178.2-66.4-58.7000113.7T359 E383N357-T359 PolarHBondContact O-N 2.95Å; N357-E383 CarbonylContact C-O 3.59Å; N357-E383 WeakPolarHBondContact CA-O 3.44Å; N357-E383 PolarHBondContact N-O 3.35Å
358A83.4Confident81.2Confident5 Ų549.9 Ų49.94%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-53.3133.1176.200000111.9I355 H356 I382 E383 L390 F458 A460I355-A358 HydrophobicContact CG2-CB 4.21Å; H356-A358 VanDerWaalsContact C-N 3.26Å; H356-A358 PolarHBondContact O-N 3Å; A358-I382 HydrophobicContact CB-CG2 3.57Å; A358-E383 WeakPolarHBondContact CB-O 3.43Å; A358-E383 PolarHBondContact N-O 3.18Å; A358-L390 HydrophobicContact CB-CD2 4.1Å; A358-F458 HydrophobicContact CB-CD2 4.06Å; A358-F458 HydrophobicContact CB-CE2 3.76Å; A358-A460 WeakPolarHBondContact O-CB 3.32Å
359T80.8Confident80Confident84 Ų8450.1 Ų50.152%0.51531%0.312SS..SBendtrans-127.1-53.6177.2500000110.8N357 A460N357-T359 PolarHBondContact O-N 2.95Å; T359-A460 PolarHBondContact O-N 3.27Å
360L83.9Confident78.8Confident102 Ų10252 Ų5253%0.53433%0.332SS..EExtended strand (participates in β ladder)trans-151.8140.4172174.261.9000108.4R457 F458 E459L360-R457 HydrophobicContact CD1-CG 4.29Å; L360-F458 WeakPolarHBondContact CA-O 3.45Å; L360-E459 HydrophobicContact CD1-CB 4.3Å; L360-E459 HydrophobicContact CD1-CG 4.48Å
361G81.4Confident77.6Confident17 Ų1752.6 Ų52.618%0.17534%0.339CS..EExtended strand (participates in β ladder)trans178.8-169.7172.900000113.6R457 F458G361-R457 CarbonylContact O-C 3.59Å; G361-R457 WeakPolarHBondContact O-CA 3.38Å; G361-F458 VanDerWaalsContact CA-CZ 3.43Å; G361-F458 PolarHBondContact N-O 2.87Å; G361-F458 PolarHBondContact O-N 2.82Å
362R81.6Confident76.3Confident61 Ų6157.8 Ų57.823%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-139.3143.6-176.1-177.9-175.9-61.7-88.5-5.7110.1S320 G321 V364 E395 S455 L456S320-R362 WeakPolarHBondContact O-CB 3.33Å; S320-R362 WeakPolarHBondContact O-CD 3.45Å; S320-R362 WeakPolarHBondContact OG-CB 3.3Å; S320-R362 PolarHBondContact OG-NE 3.38Å; G321-R362 WeakPolarHBondContact CA-O 3.43Å; R362-V364 HydrophobicContact CG-CG1 4.26Å; R362-E395 IonicContact CZ-OE1 3.86Å; R362-E395 IonicContact CZ-OE2 3.43Å; R362-E395 VanDerWaalsContact NH1-CD 3.31Å; R362-E395 IonicContact NH1-OE1 2.72Å; R362-E395 IonicContact NH1-OE2 3.85Å; R362-E395 PolarHBondContact NH1-OE2 2.91Å; R362-E395 VanDerWaalsContact NH2-CD 3.27Å; R362-E395 IonicContact NH2-OE1 3.88Å; R362-E395 PolarHBondContact NH2-OE1 2.6Å; R362-E395 IonicContact NH2-OE2 3.2Å; R362-E395 PolarHBondContact NH2-OE2 3.49Å; R362-S455 WeakPolarHBondContact CD-OG 3.36Å; R362-S455 PolarHBondContact NH1-OG 3.25Å; R362-L456 CarbonylContact C-O 3.25Å; R362-L456 VanDerWaalsContact CA-O 3.29Å; R362-L456 WeakPolarHBondContact CA-O 3.21Å
363I87.8Confident75Confident3 Ų358.7 Ų58.72%0.01538%0.377CS..EExtended strand (participates in β ladder)trans-118.8147.3164.858.2173.2000109.6I355 W380 I382 V441 S455 L456 F458I355-I363 HydrophobicContact CD1-CG2 3.83Å; I363-W380 HydrophobicContact CB-CD2 4.34Å; I363-W380 HydrophobicContact CB-CG 4.31Å; I363-W380 HydrophobicContact CD1-CB 4.08Å; I363-W380 HydrophobicContact CD1-CD2 3.82Å; I363-W380 HydrophobicContact CD1-CE3 3.98Å; I363-W380 HydrophobicContact CD1-CG 3.89Å; I363-W380 HydrophobicContact CG2-CG 4.06Å; I363-I382 HydrophobicContact CD1-CD1 4.36Å; I363-V441 HydrophobicContact CD1-CB 4.31Å; I363-V441 HydrophobicContact CD1-CG1 4.18Å; I363-V441 HydrophobicContact CD1-CG2 4.36Å; I363-S455 WeakPolarHBondContact O-CA 3.36Å; I363-L456 HydrophobicContact CD1-CB 4.38Å; I363-L456 HydrophobicContact CD1-CD1 4.18Å; I363-L456 HydrophobicContact CG1-CB 3.86Å; I363-L456 HydrophobicContact CG1-CD1 4.45Å; I363-L456 PolarHBondContact N-O 2.91Å; I363-L456 PolarHBondContact O-N 2.79Å; I363-F458 HydrophobicContact CG2-CE1 4.21Å
364V84.4Confident73.7Confident4 Ų461.4 Ų61.42%0.02439%0.388CS..EExtended strand (participates in β ladder)trans-141.6147.2-174.3-82.50000111.4G321 Y322 A349 R362 W380 L454 S455G321-V364 VanDerWaalsContact O-CG2 3.24Å; G321-V364 WeakPolarHBondContact O-CG2 3.06Å; Y322-V364 HydrophobicContact CD2-CG2 4.03Å; Y322-V364 HydrophobicContact CE1-CG2 4.27Å; Y322-V364 HydrophobicContact CE2-CB 4.4Å; Y322-V364 HydrophobicContact CE2-CG1 4.14Å; Y322-V364 HydrophobicContact CE2-CG2 3.81Å; Y322-V364 HydrophobicContact CG-CG2 4.37Å; A349-V364 HydrophobicContact CB-CB 4.25Å; A349-V364 HydrophobicContact CB-CG2 3.7Å; R362-V364 HydrophobicContact CG-CG1 4.26Å; V364-W380 WeakPolarHBondContact O-CZ2 3.19Å; V364-L454 VanDerWaalsContact CA-O 3.3Å; V364-L454 WeakPolarHBondContact CA-O 3.33Å; V364-S455 WeakPolarHBondContact CG1-OG 3.48Å
365S80.9Confident72.8Confident4 Ų462.2 Ų62.23%0.02839%0.389CS..PPolyproline II helixtrans-78.7148.2168.445.60000111.8A349 L452 L454A349-S365 WeakPolarHBondContact CB-O 3.36Å; S365-L452 PolarHBondContact OG-O 3.09Å; S365-L454 PolarHBondContact N-O 3.04Å; S365-L454 WeakPolarHBondContact OG-CB 3.49Å; S365-L454 PolarHBondContact OG-N 3.5Å
366P76.7Confident72.2Confident18 Ų1860.5 Ų60.512%0.11738%0.381CS..PPolyproline II helixtrans-60.8146.8164.6-22.833.5000113A349 C351 L376A349-P366 HydrophobicContact CB-CG 4.27Å; C351-P366 HydrophobicContact CB-CG 3.74Å; P366-L376 HydrophobicContact CG-CD1 4.32Å
367E69.5Low72Confident93 Ų9358 Ų5844%0.43537%0.374SS..PPolyproline II helixtrans-77.5151.9172.5-62.3-177.3166.300111.6H300 G369 G370H300-E367 IonicContact CD2-OE1 2.68Å; H300-E367 IonicContact CE1-OE1 3.72Å; H300-E367 PolarHBondContact CE1-OE1 2.98Å; H300-E367 IonicContact NE2-OE1 2.91Å; H300-E367 PolarHBondContact NE2-OE1 2.91Å; E367-G369 PolarHBondContact O-N 3.31Å; E367-G369 VanDerWaalsContact O-N 3.09Å; E367-G370 PolarHBondContact O-N 3.32Å
368P56Low72Confident63 Ų6352.4 Ų52.441%0.40934%0.344SS..THydrogen-bonded Turntrans-54.4114.5172.9-28.236.8000112.5P448 N450P368-P448 WeakPolarHBondContact CB-O 3.32Å; P368-N450 VanDerWaalsContact CG-O 3.28Å; P368-N450 WeakPolarHBondContact CG-O 3.33Å
369G55.8Low72.3Confident82 Ų8257.2 Ų57.285%0.84536%0.361SS*.THydrogen-bonded Turntrans116.7-21.9-175.400000114.4E367E367-G369 PolarHBondContact O-N 3.31Å; E367-G369 VanDerWaalsContact O-N 3.09Å
370G54.7Low72.9Confident52 Ų5253.3 Ų53.354%0.53634%0.337SS..SBendtrans-81.5-19.7174.700000114.6E367E367-G370 PolarHBondContact O-N 3.32Å
371A51.5Low73.3Confident41 Ų4149.5 Ų49.534%0.33932%0.318SS..SBendtrans-103.8129.7-176.400000112.4G373 L376A371-G373 PolarHBondContact O-N 2.99Å; A371-L376 HydrophobicContact CB-CD1 4.07Å
372V50.3Low73.9Confident161 Ų16148.7 Ų48.798%0.97631%0.31SS*.SBendtrans-86.881.6174.6-175.40000109.9
373G54.8Low74.4Confident36 Ų3649.1 Ų49.137%0.37131%0.314SS..SBendtrans169.6155.8172.300000113.4A371A371-G373 PolarHBondContact O-N 2.99Å
374P58.8Low74.5Confident98 Ų9849.3 Ų49.364%0.63632%0.316SS*.SBendtrans-72-31173.527.8-32.1000112.8E446 P448P374-E446 VanDerWaalsContact O-O 3.1Å; P374-P448 WeakPolarHBondContact O-CD 3.31Å
375N70.9Confident74.5Confident91 Ų9150.5 Ų50.549%0.48733%0.326SS..SBendtrans-112.6134.6179.9-5670.4000109.9S445N375-S445 CarbonylContact C-O 3.5Å; N375-S445 VanDerWaalsContact CA-O 3.32Å; N375-S445 WeakPolarHBondContact CA-O 3.37Å
376L76.5Confident74.7Confident16 Ų1658.8 Ų58.88%0.08437%0.365CS..EExtended strand (participates in β ladder)trans-110.3128.8178.1179.173000109.5P366 A371 S445P366-L376 HydrophobicContact CG-CD1 4.32Å; A371-L376 HydrophobicContact CB-CD1 4.07Å; L376-S445 PolarHBondContact N-O 2.81Å; L376-S445 PolarHBondContact O-N 3.2Å
377T84.9Confident74.7Confident70 Ų7060.7 Ų60.743%0.42939%0.387SS..EExtended strand (participates in β ladder)trans-131.8105.7172.676.40000110.8R379 L443 L444T377-R379 PolarHBondContact OG1-NH1 3.28Å; T377-L443 CarbonylContact C-O 3.59Å; T377-L443 WeakPolarHBondContact CA-O 3.42Å; T377-L444 HydrophobicContact CG2-CD2 3.63Å
378C86.8Confident75.3Confident0 Ų059.9 Ų59.90%038%0.38CS..EExtended strand (participates in β ladder)trans-105.1133.9178.8-53.30000110.2C351 W380 E442 L443C351-C378 VanDerWaalsContact CA-SG 3.57Å; C351-C378 HydrophobicContact CB-CB 4.07Å; C351-C378 WeakPolarHBondContact CB-SG 3.45Å; C351-C378 WeakPolarHBondContact SG-CA 3.17Å; C351-C378 WeakPolarHBondContact SG-CB 3.03Å; C351-C378 CovalentContact SG-SG 2.04Å; C351-C378 PolarHBondContact SG-SG 3.35Å; C378-W380 HydrophobicContact CB-CE3 4.16Å; C378-W380 HydrophobicContact CB-CH2 3.22Å; C378-W380 HydrophobicContact CB-CZ2 3.6Å; C378-W380 HydrophobicContact CB-CZ3 3.52Å; C378-E442 WeakPolarHBondContact O-CA 3.4Å; C378-L443 HydrophobicContact CB-CB 4.39Å; C378-L443 PolarHBondContact N-O 3.5Å; C378-L443 PolarHBondContact O-N 2.79Å
379R90.7Very high76.5Confident105 Ų10559.4 Ų59.440%0.39637%0.37SS..EExtended strand (participates in β ladder)trans-132.6107.7-177.5-67177.4-178.384.213.8110.4G352 G353 T377 Y440 V441 E442G352-R379 CarbonylContact C-O 3.52Å; G352-R379 WeakPolarHBondContact CA-O 3.37Å; G353-R379 PolarHBondContact N-O 2.88Å; T377-R379 PolarHBondContact OG1-NH1 3.28Å; R379-Y440 WeakPolarHBondContact CD-OH 3.31Å; R379-V441 CarbonylContact C-O 3.2Å; R379-V441 WeakPolarHBondContact CA-O 3.02Å; R379-E442 HydrophobicContact CG-CB 4.4Å; R379-E442 HydrophobicContact CG-CG 4.03Å; R379-E442 IonicContact CZ-OE1 3.11Å; R379-E442 IonicContact NE-OE1 2.75Å; R379-E442 PolarHBondContact NE-OE1 3.45Å; R379-E442 IonicContact NH2-OE1 2.69Å; R379-E442 PolarHBondContact NH2-OE1 3.1Å
380W92.8Very high77.9Confident3 Ų355.5 Ų55.51%0.01133%0.33CS..EExtended strand (participates in β ladder)trans-105.6133.8178.7-57.7-90000110.8S350 G352 G353 I363 V364 C378 V441 L443 L454S350-W380 PolarHBondContact O-NE1 3.06Å; G352-W380 VanDerWaalsContact N-NE1 3.11Å; G353-W380 WeakPolarHBondContact O-CA 3.45Å; I363-W380 HydrophobicContact CB-CD2 4.34Å; I363-W380 HydrophobicContact CB-CG 4.31Å; I363-W380 HydrophobicContact CD1-CB 4.08Å; I363-W380 HydrophobicContact CD1-CD2 3.82Å; I363-W380 HydrophobicContact CD1-CE3 3.98Å; I363-W380 HydrophobicContact CD1-CG 3.89Å; I363-W380 HydrophobicContact CG2-CG 4.06Å; V364-W380 WeakPolarHBondContact O-CZ2 3.19Å; C378-W380 HydrophobicContact CB-CE3 4.16Å; C378-W380 HydrophobicContact CB-CH2 3.22Å; C378-W380 HydrophobicContact CB-CZ2 3.6Å; C378-W380 HydrophobicContact CB-CZ3 3.52Å; W380-V441 HydrophobicContact CB-CB 4.42Å; W380-V441 HydrophobicContact CE3-CB 4.26Å; W380-V441 HydrophobicContact CE3-CG1 4Å; W380-V441 HydrophobicContact CZ3-CG1 4.41Å; W380-V441 PolarHBondContact N-O 2.96Å; W380-V441 PolarHBondContact O-N 2.82Å; W380-L443 HydrophobicContact CH2-CB 4.36Å; W380-L443 HydrophobicContact CH2-CD2 4.47Å; W380-L443 HydrophobicContact CZ3-CB 3.92Å; W380-L454 HydrophobicContact CH2-CD2 4.45Å; W380-L454 HydrophobicContact CZ3-CD2 4.41Å
381V93.2Very high79.3Confident22 Ų2253.6 Ų53.613%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-112.9120.1169.2-177.30000107.9G353 T354 I355 E383 L439 Y440G353-V381 PolarHBondContact O-N 3.09Å; T354-V381 CarbonylContact C-O 3.58Å; T354-V381 VanDerWaalsContact CA-O 3.32Å; T354-V381 WeakPolarHBondContact CA-O 3.47Å; T354-V381 HydrophobicContact CG2-CB 4.01Å; T354-V381 HydrophobicContact CG2-CG1 4.17Å; I355-V381 PolarHBondContact N-O 2.85Å; V381-E383 HydrophobicContact CG1-CG 4.03Å; V381-L439 WeakPolarHBondContact CA-O 3.45Å; V381-Y440 HydrophobicContact CG2-CD2 3.92Å
382I93.1Very high80.8Confident0 Ų051.7 Ų51.70%029%0.291CS..EExtended strand (participates in β ladder)trans-111.1122.9-179.3-49.2173.9000107A358 I363 L390 L392 S438 L439 F458A358-I382 HydrophobicContact CB-CG2 3.57Å; I363-I382 HydrophobicContact CD1-CD1 4.36Å; I382-L390 HydrophobicContact CB-CD1 3.96Å; I382-L390 HydrophobicContact CG2-CD1 3.7Å; I382-L390 HydrophobicContact CG2-CD2 3.93Å; I382-L390 HydrophobicContact CG2-CG 4.48Å; I382-L390 WeakPolarHBondContact O-CD1 3.4Å; I382-L392 HydrophobicContact CD1-CD1 4.44Å; I382-S438 CarbonylContact O-C 3.58Å; I382-S438 WeakPolarHBondContact O-CA 3.42Å; I382-S438 VanDerWaalsContact O-CB 3.3Å; I382-S438 WeakPolarHBondContact O-CB 3.37Å; I382-L439 HydrophobicContact CB-CB 4.47Å; I382-L439 PolarHBondContact N-O 3.3Å; I382-L439 PolarHBondContact O-N 3.3Å; I382-F458 HydrophobicContact CD1-CB 4.1Å; I382-F458 HydrophobicContact CD1-CD1 3.82Å; I382-F458 HydrophobicContact CD1-CG 4.03Å; I382-F458 HydrophobicContact CG2-CD1 4.49Å; I382-F458 HydrophobicContact CG2-CD2 3.91Å; I382-F458 HydrophobicContact CG2-CE2 4.22Å; I382-F458 HydrophobicContact CG2-CG 4.06Å
383E92.1Very high82.3Confident69 Ų6944.4 Ų44.432%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-123.7113.4-177.3-57.2-176.3154.100109.9I355 H356 N357 A358 V381I355-E383 PolarHBondContact O-N 2.84Å; H356-E383 CarbonylContact C-O 3.59Å; H356-E383 IonicContact CE1-OE2 2.98Å; H356-E383 PolarHBondContact CE1-OE2 2.8Å; H356-E383 IonicContact CG-OE2 2.84Å; H356-E383 IonicContact ND1-OE2 3.22Å; H356-E383 PolarHBondContact ND1-OE2 3Å; N357-E383 CarbonylContact C-O 3.59Å; N357-E383 WeakPolarHBondContact CA-O 3.44Å; N357-E383 PolarHBondContact N-O 3.35Å; A358-E383 WeakPolarHBondContact CB-O 3.43Å; A358-E383 PolarHBondContact N-O 3.18Å; V381-E383 HydrophobicContact CG1-CG 4.03Å
384A89.3Confident83.5Confident7 Ų743.7 Ų43.76%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-75.4165.9171.700000111.3R388 L390 Q437 A460A384-R388 HydrophobicContact CB-CB 4.01Å; A384-L390 HydrophobicContact CB-CD2 4.07Å; A384-L390 HydrophobicContact CB-CG 4.08Å; A384-Q437 PolarHBondContact N-O 2.9Å; A384-A460 HydrophobicContact CB-CB 4Å
385A85.8Confident84.2Confident29 Ų2942.7 Ų42.724%0.2422%0.22CC..PPolyproline II helixtrans-63.7154.816800000111.5G387 R388A385-G387 PolarHBondContact O-N 3.46Å; A385-R388 WeakPolarHBondContact O-CB 3.37Å; A385-R388 PolarHBondContact O-N 2.81Å; A385-R388 VanDerWaalsContact O-N 3.09Å
386E83.7Confident84.4Confident179 Ų17945.5 Ų45.584%0.83622%0.224SC*.THydrogen-bonded Turntrans-53.1135.2-179.3-172.1174.9-169.500112.1R388E386-R388 VanDerWaalsContact C-N 3.32Å
387G77.9Confident84.4Confident57 Ų5747 Ų4759%0.58823%0.233SC*.THydrogen-bonded Turntrans78.76.7-176.600000115.5A385A385-G387 PolarHBondContact O-N 3.46Å
388R80.9Confident84Confident76 Ų7646.2 Ų46.229%0.28723%0.231SC..EExtended strand (participates in β ladder)trans-112.3151.4173.1-65.9-174.3174.3160.8-2112.7A384 A385 E386 Q437 F461 E462A384-R388 HydrophobicContact CB-CB 4.01Å; A385-R388 WeakPolarHBondContact O-CB 3.37Å; A385-R388 PolarHBondContact O-N 2.81Å; A385-R388 VanDerWaalsContact O-N 3.09Å; E386-R388 VanDerWaalsContact C-N 3.32Å; R388-Q437 VanDerWaalsContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CB 3.45Å; R388-F461 CarbonylContact C-O 3.43Å; R388-F461 WeakPolarHBondContact CA-O 3.5Å; R388-F461 VanDerWaalsContact CB-O 3.29Å; R388-F461 WeakPolarHBondContact CB-O 3.49Å; R388-E462 HydrophobicContact CG-CG 4.02Å; R388-E462 IonicContact CZ-OE1 3.72Å; R388-E462 IonicContact NE-OE1 3.19Å; R388-E462 PolarHBondContact NE-OE1 3.14Å; R388-E462 IonicContact NH2-OE1 3.06Å; R388-E462 PolarHBondContact NH2-OE1 2.71Å
389R82.6Confident83.5Confident54 Ų5448.1 Ų48.120%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-111.4163.6174-65.6174.8-178.1-126.77.4109.9S434 D435 A460 F461 E463R389-S434 WeakPolarHBondContact CD-O 3.31Å; R389-D435 IonicContact NH1-OD1 3.59Å; R389-A460 CarbonylContact O-C 3.56Å; R389-A460 VanDerWaalsContact O-CA 3.26Å; R389-A460 WeakPolarHBondContact O-CA 3.48Å; R389-F461 HydrophobicContact CB-CD1 4.32Å; R389-F461 HydrophobicContact CB-CE1 3.7Å; R389-F461 HydrophobicContact CB-CE2 4.08Å; R389-F461 HydrophobicContact CB-CZ 3.56Å; R389-F461 HydrophobicContact CG-CZ 4.49Å; R389-F461 PolarHBondContact N-O 2.68Å; R389-F461 WeakPolarHBondContact O-CD1 3.45Å; R389-F461 PolarHBondContact O-N 2.68Å; R389-E463 IonicContact CZ-OE1 2.74Å; R389-E463 IonicContact CZ-OE2 2.76Å; R389-E463 IonicContact NE-OE2 3.92Å; R389-E463 PolarHBondContact NE-OE2 2.89Å; R389-E463 IonicContact NH2-OE1 2.71Å; R389-E463 PolarHBondContact NH2-OE1 2.94Å; R389-E463 IonicContact NH2-OE2 3.45Å; R389-E463 PolarHBondContact NH2-OE2 3.3Å
390L85.4Confident82.9Confident0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-111136-178.7-69.6163.4000110.7A358 I382 A384 I433 S434 L439 E459 A460A358-L390 HydrophobicContact CB-CD2 4.1Å; I382-L390 HydrophobicContact CB-CD1 3.96Å; I382-L390 HydrophobicContact CG2-CD1 3.7Å; I382-L390 HydrophobicContact CG2-CD2 3.93Å; I382-L390 HydrophobicContact CG2-CG 4.48Å; I382-L390 WeakPolarHBondContact O-CD1 3.4Å; A384-L390 HydrophobicContact CB-CD2 4.07Å; A384-L390 HydrophobicContact CB-CG 4.08Å; L390-I433 WeakPolarHBondContact O-CA 3.39Å; L390-S434 PolarHBondContact N-OG 3.23Å; L390-S434 PolarHBondContact O-N 3.38Å; L390-S434 PolarHBondContact O-OG 2.87Å; L390-L439 HydrophobicContact CB-CD1 3.7Å; L390-L439 HydrophobicContact CB-CG 4.12Å; L390-L439 HydrophobicContact CD1-CB 4.16Å; L390-L439 HydrophobicContact CD1-CD1 4.21Å; L390-L439 HydrophobicContact CD1-CG 4Å; L390-E459 WeakPolarHBondContact CA-O 3.44Å; L390-A460 HydrophobicContact CD2-CB 3.91Å
391H83.3Confident82.1Confident12 Ų1254.3 Ų54.36%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-113111.3171.5-174.5-169.7000108.9H393 R430 L432 I433 F458 E459 F461H391-H393 AromaticContact CD2-CE1 3.83Å; H391-H393 AromaticContact CE1-CE1 3.49Å; H391-H393 PolarHBondContact CE1-CE1 3.49Å; H391-H393 VanDerWaalsContact CE1-CE1 3.49Å; H391-H393 AromaticContact CE1-NE2 3.24Å; H391-H393 PolarHBondContact CE1-NE2 3.14Å; H391-H393 AromaticContact CG-CE1 3.49Å; H391-H393 VanDerWaalsContact CG-CE1 3.49Å; H391-H393 AromaticContact ND1-CE1 3.3Å; H391-H393 PolarHBondContact ND1-CE1 2.73Å; H391-H393 VanDerWaalsContact ND1-CE1 3.3Å; H391-H393 AromaticContact ND1-NE2 3.51Å; H391-H393 AromaticContact NE2-CE1 3.82Å; H391-H393 AromaticContact NE2-NE2 3.68Å; H391-H393 PolarHBondContact O-ND1 3.23Å; H391-R430 PolarHBondContact NE2-O 2.82Å; H391-L432 CarbonylContact C-O 3.59Å; H391-L432 WeakPolarHBondContact CA-O 3.4Å; H391-L432 PolarHBondContact CD2-O 3.16Å; H391-I433 HydrophobicContact CB-CG1 4.5Å; H391-F458 WeakPolarHBondContact O-CA 3.31Å; H391-E459 PolarHBondContact N-O 3.34Å; H391-E459 PolarHBondContact O-N 3.06Å; H391-F461 HydrophobicContact CB-CD1 4.08Å; H391-F461 HydrophobicContact CB-CE1 3.98Å
392L83.7Confident81.4Confident0 Ų060.6 Ų60.60%031%0.309CS..EExtended strand (participates in β ladder)trans-98.7116.2-176.4-171.268.2000110.2I382 V408 G431 L432 L439 V441 L456 F458I382-L392 HydrophobicContact CD1-CD1 4.44Å; L392-V408 HydrophobicContact CD2-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG2 3.99Å; L392-G431 CarbonylContact O-C 3.49Å; L392-G431 WeakPolarHBondContact O-CA 3.17Å; L392-L432 PolarHBondContact N-O 3.08Å; L392-L432 PolarHBondContact O-N 2.87Å; L392-L439 HydrophobicContact CB-CD1 3.99Å; L392-L439 HydrophobicContact CD2-CD1 4.36Å; L392-V441 HydrophobicContact CD2-CG2 4.15Å; L392-L456 HydrophobicContact CD1-CB 3.87Å; L392-L456 HydrophobicContact CD2-CD1 4.28Å; L392-L456 HydrophobicContact CG-CB 4.42Å; L392-F458 HydrophobicContact CD1-CB 4.09Å
393H80.6Confident80.6Confident8 Ų863.5 Ų63.54%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-101.6133.1-177.8-59.876000110.2H391 L456 R457 F470H391-H393 AromaticContact CD2-CE1 3.83Å; H391-H393 AromaticContact CE1-CE1 3.49Å; H391-H393 PolarHBondContact CE1-CE1 3.49Å; H391-H393 VanDerWaalsContact CE1-CE1 3.49Å; H391-H393 AromaticContact CE1-NE2 3.24Å; H391-H393 PolarHBondContact CE1-NE2 3.14Å; H391-H393 AromaticContact CG-CE1 3.49Å; H391-H393 VanDerWaalsContact CG-CE1 3.49Å; H391-H393 AromaticContact ND1-CE1 3.3Å; H391-H393 PolarHBondContact ND1-CE1 2.73Å; H391-H393 VanDerWaalsContact ND1-CE1 3.3Å; H391-H393 AromaticContact ND1-NE2 3.51Å; H391-H393 AromaticContact NE2-CE1 3.82Å; H391-H393 AromaticContact NE2-NE2 3.68Å; H391-H393 PolarHBondContact O-ND1 3.23Å; H393-L456 CarbonylContact O-C 3.47Å; H393-L456 VanDerWaalsContact O-CA 3.26Å; H393-L456 WeakPolarHBondContact O-CA 3.27Å; H393-R457 HydrophobicContact CB-CB 4.19Å; H393-R457 WeakPolarHBondContact CB-O 3.45Å; H393-R457 PolarHBondContact CE1-NH1 2.93Å; H393-R457 VanDerWaalsContact CE1-NH1 3.32Å; H393-R457 PolarHBondContact N-O 3.02Å; H393-R457 PolarHBondContact ND1-NH1 2.68Å; H393-R457 PolarHBondContact ND1-O 2.98Å; H393-R457 PolarHBondContact O-N 2.93Å; H393-F470 AromaticContact CD2-CD2 3.42Å; H393-F470 VanDerWaalsContact CD2-CD2 3.42Å; H393-F470 WeakPolarHBondContact CD2-CD2 3.04Å; H393-F470 AromaticContact CD2-CE2 3.97Å; H393-F470 AromaticContact CD2-CG 3.71Å
394F79.8Confident80.2Confident22 Ų2260.7 Ų60.710%0.09631%0.312CS..EExtended strand (participates in β ladder)trans-93.598.8176.8-65.1-106.1000108.2V397 L406 V408 Y420 V427 P428 L432 L456F394-V397 HydrophobicContact CB-CG2 3.93Å; F394-V397 HydrophobicContact CD1-CG2 3.68Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; F394-L406 HydrophobicContact CE1-CD2 3.93Å; F394-V408 HydrophobicContact CZ-CG2 4.44Å; F394-Y420 HydrophobicContact CE1-CD1 4.3Å; F394-Y420 HydrophobicContact CE1-CE1 4.11Å; F394-Y420 HydrophobicContact CZ-CD1 4.13Å; F394-Y420 HydrophobicContact CZ-CE1 4.35Å; F394-Y420 HydrophobicContact CZ-CG 4.47Å; F394-V427 HydrophobicContact CB-CG1 3.66Å; F394-V427 HydrophobicContact CD1-CG1 3.87Å; F394-V427 HydrophobicContact CG-CG1 3.79Å; F394-P428 HydrophobicContact CD2-CG 4.18Å; F394-P428 HydrophobicContact CE2-CG 3.91Å; F394-L432 HydrophobicContact CE2-CD1 3.62Å; F394-L432 HydrophobicContact CE2-CG 3.83Å; F394-L432 HydrophobicContact CZ-CD1 3.56Å; F394-L432 HydrophobicContact CZ-CG 4.26Å; F394-L456 HydrophobicContact CB-CD2 4.13Å; F394-L456 HydrophobicContact CD1-CD2 3.34Å; F394-L456 HydrophobicContact CE1-CD2 3.83Å; F394-L456 HydrophobicContact CG-CD2 3.75Å
395E73.8Confident80.1Confident77 Ų7764.1 Ų64.136%0.3632%0.323SS..EExtended strand (participates in β ladder)trans-90-36.3-179.1-73-170.4-152.200112.5R362 S455 R457R362-E395 IonicContact CZ-OE1 3.86Å; R362-E395 IonicContact CZ-OE2 3.43Å; R362-E395 VanDerWaalsContact NH1-CD 3.31Å; R362-E395 IonicContact NH1-OE1 2.72Å; R362-E395 IonicContact NH1-OE2 3.85Å; R362-E395 PolarHBondContact NH1-OE2 2.91Å; R362-E395 VanDerWaalsContact NH2-CD 3.27Å; R362-E395 IonicContact NH2-OE1 3.88Å; R362-E395 PolarHBondContact NH2-OE1 2.6Å; R362-E395 IonicContact NH2-OE2 3.2Å; R362-E395 PolarHBondContact NH2-OE2 3.49Å; E395-S455 PolarHBondContact N-O 2.9Å; E395-R457 HydrophobicContact CG-CB 4.35Å; E395-R457 WeakPolarHBondContact OE1-CB 3.46Å; E395-R457 WeakPolarHBondContact OE1-CD 3.24Å
396R74.8Confident80.2Confident149 Ų14962.7 Ų62.756%0.56231%0.312SS*.EExtended strand (participates in β ladder)trans-140.8134.2170.5-60.1-177-176.4151.14.1108.9L453 S455R396-L453 CarbonylContact C-O 3.55Å; R396-L453 WeakPolarHBondContact CB-O 3.29Å; R396-S455 PolarHBondContact N-O 2.96Å; R396-S455 VanDerWaalsContact N-O 3.15Å; R396-S455 PolarHBondContact O-N 2.91Å
397V76.9Confident80.6Confident47 Ų4755 Ų5529%0.28528%0.276SS..  trans-141.9129.3174.4-171.50000106.3F394 L399 V427 L454F394-V397 HydrophobicContact CB-CG2 3.93Å; F394-V397 HydrophobicContact CD1-CG2 3.68Å; F394-V397 HydrophobicContact CG-CG2 4.3Å; V397-L399 HydrophobicContact CG1-CD1 4.11Å; V397-L399 HydrophobicContact CG1-CG 3.84Å; V397-V427 HydrophobicContact CB-CG2 4.25Å; V397-V427 HydrophobicContact CG1-CG2 4Å; V397-V427 HydrophobicContact CG2-CG1 4Å; V397-V427 HydrophobicContact CG2-CG2 4.21Å; V397-L454 HydrophobicContact CG2-CD1 4.41Å
398S77.2Confident81.3Confident55 Ų5552.3 Ų52.339%0.38525%0.248SC..  trans-154.677.1177.2-179.70000107L452S398-L452 WeakPolarHBondContact O-CD2 3.46Å
399L76.8Confident81.8Confident39 Ų3950.8 Ų50.820%0.20424%0.242CC..  trans-96.1149.1177.7-53.2178.3000108.7V397 D404 L406 L443 L452V397-L399 HydrophobicContact CG1-CD1 4.11Å; V397-L399 HydrophobicContact CG1-CG 3.84Å; L399-D404 HydrophobicContact CB-CB 3.96Å; L399-D404 HydrophobicContact CD2-CB 4.38Å; L399-L406 HydrophobicContact CD1-CB 3.65Å; L399-L406 HydrophobicContact CD1-CD2 4.44Å; L399-L443 HydrophobicContact CD2-CD1 3.76Å; L399-L452 HydrophobicContact CD2-CD2 3.61Å
400D78.1Confident82.2Confident41 Ų4148.8 Ų48.822%0.21924%0.237CC..  trans-81122.5165.8-162.2-55.4000110.9D402 N403 D404 N450D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 2.68Å; D400-D402 PolarHBondContact OD1-N 3.1Å; D400-N403 HydrophobicContact CB-CB 4.09Å; D400-N403 PolarHBondContact O-N 3.08Å; D400-D404 HydrophobicContact CB-CB 4.38Å; D400-D404 PolarHBondContact N-OD2 3.15Å; D400-D404 PolarHBondContact O-N 2.66Å; D400-N450 PolarHBondContact OD2-ND2 2.82Å
401E75.8Confident82.3Confident197 Ų19749.1 Ų49.192%0.92124%0.24SC*.THydrogen-bonded Turntrans-64.2-25.2-173.9-64.9177.3-179.900113.7
402D77.5Confident82.5Confident155 Ų15550 Ų5083%0.82925%0.253SS*.THydrogen-bonded Turntrans-96.4-16.3178.8-80.2-48.9000112.9D400D400-D402 VanDerWaalsContact C-N 3.26Å; D400-D402 PolarHBondContact O-N 2.68Å; D400-D402 PolarHBondContact OD1-N 3.1Å
403N76.6Confident82.7Confident60 Ų6052.1 Ų52.132%0.32127%0.267SS..THydrogen-bonded Turntrans-134.2-13.7-163.3-85.1112.1000116.8D400 E446D400-N403 HydrophobicContact CB-CB 4.09Å; D400-N403 PolarHBondContact O-N 3.08Å; N403-E446 PolarHBondContact O-N 3.44Å
404D83.4Confident83Confident11 Ų1155.3 Ų55.36%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-124.5142.3-179.1-61.7-28000111.8L399 D400 L444 S445 L452L399-D404 HydrophobicContact CB-CB 3.96Å; L399-D404 HydrophobicContact CD2-CB 4.38Å; D400-D404 HydrophobicContact CB-CB 4.38Å; D400-D404 PolarHBondContact N-OD2 3.15Å; D400-D404 PolarHBondContact O-N 2.66Å; D404-L444 CarbonylContact C-O 3.57Å; D404-L444 WeakPolarHBondContact CA-O 3.32Å; D404-S445 WeakPolarHBondContact OD1-CA 3.29Å; D404-S445 WeakPolarHBondContact OD1-CB 3.44Å; D404-S445 PolarHBondContact OD1-OG 3.47Å; D404-L452 WeakPolarHBondContact OD2-CD2 3.29Å
405R86.9Confident83.4Confident78 Ų7862.1 Ų62.129%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-136.6133.6177.6178.8168.4-173165.4-4.6113.1M407 D421 S422 D423 L443 L444R405-M407 HydrophobicContact CG-CE 4.26Å; R405-M407 HydrophobicContact CG-CG 4.36Å; R405-D421 IonicContact CZ-OD1 3.24Å; R405-D421 VanDerWaalsContact CZ-OD1 3.24Å; R405-D421 IonicContact CZ-OD2 3.69Å; R405-D421 IonicContact NE-OD1 2.8Å; R405-D421 PolarHBondContact NE-OD1 3.08Å; R405-D421 IonicContact NE-OD2 3.99Å; R405-D421 IonicContact NH2-OD1 2.99Å; R405-D421 PolarHBondContact NH2-OD1 3.12Å; R405-D421 IonicContact NH2-OD2 2.68Å; R405-D421 PolarHBondContact NH2-OD2 3.03Å; R405-S422 WeakPolarHBondContact CA-OG 3.47Å; R405-D423 WeakPolarHBondContact CD-OD1 3.39Å; R405-D423 WeakPolarHBondContact CD-OD2 3.31Å; R405-D423 WeakPolarHBondContact CG-OD1 3.27Å; R405-D423 IonicContact CZ-OD1 3.96Å; R405-D423 IonicContact CZ-OD2 3.07Å; R405-D423 IonicContact NE-OD1 3.43Å; R405-D423 PolarHBondContact NE-OD1 2.68Å; R405-D423 IonicContact NE-OD2 3.31Å; R405-D423 PolarHBondContact NE-OD2 2.96Å; R405-D423 IonicContact NH1-OD2 2.66Å; R405-D423 PolarHBondContact NH1-OD2 3.07Å; R405-D423 IonicContact NH2-OD2 3.89Å; R405-L443 CarbonylContact O-C 3.56Å; R405-L443 WeakPolarHBondContact O-CA 3.39Å; R405-L444 PolarHBondContact N-O 2.88Å; R405-L444 PolarHBondContact O-N 2.92Å
406L88.8Confident84.3Confident0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-119.1116.4174.6179.263.5000110.6F394 L399 Y420 S422 V441 E442 L443 L454 L456F394-L406 HydrophobicContact CE1-CD2 3.93Å; L399-L406 HydrophobicContact CD1-CB 3.65Å; L399-L406 HydrophobicContact CD1-CD2 4.44Å; L406-Y420 HydrophobicContact CD2-CE1 4.35Å; L406-Y420 HydrophobicContact CG-CE1 4.49Å; L406-S422 PolarHBondContact N-OG 2.6Å; L406-S422 PolarHBondContact O-N 3Å; L406-V441 HydrophobicContact CD1-CG1 3.8Å; L406-E442 WeakPolarHBondContact CA-O 3.43Å; L406-L443 HydrophobicContact CB-CD1 4.41Å; L406-L443 HydrophobicContact CD1-CB 4.37Å; L406-L454 HydrophobicContact CD1-CD2 3.89Å; L406-L454 HydrophobicContact CD2-CD1 3.67Å; L406-L454 HydrophobicContact CD2-CD2 4.3Å; L406-L456 HydrophobicContact CD2-CD1 4.47Å
407M90.9Very high85Confident18 Ų1856.6 Ų56.69%0.08932%0.315CS..EExtended strand (participates in β ladder)trans-110.4135.9173.7-75.7173.4-8400111R405 R409 D421 V441 E442 L444R405-M407 HydrophobicContact CG-CE 4.26Å; R405-M407 HydrophobicContact CG-CG 4.36Å; M407-R409 PolarHBondContact SD-NH2 2.85Å; M407-D421 VanDerWaalsContact CG-OD1 3.24Å; M407-D421 WeakPolarHBondContact CG-OD1 3.22Å; M407-V441 WeakPolarHBondContact O-CA 3.07Å; M407-E442 HydrophobicContact CE-CG 4.49Å; M407-E442 PolarHBondContact N-O 2.9Å; M407-E442 PolarHBondContact O-N 3.05Å; M407-L444 HydrophobicContact CE-CD1 4.01Å
408V93.4Very high85.6Confident0 Ų057.3 Ų57.30%032%0.32CS..EExtended strand (participates in β ladder)trans-121132.9170.7-174.50000110L392 F394 I419 Y420 L432 L439 V441L392-V408 HydrophobicContact CD2-CG1 3.9Å; L392-V408 HydrophobicContact CD2-CG2 3.99Å; F394-V408 HydrophobicContact CZ-CG2 4.44Å; V408-I419 HydrophobicContact CB-CG1 4.26Å; V408-I419 HydrophobicContact CG1-CD1 4.01Å; V408-I419 HydrophobicContact CG1-CG1 3.94Å; V408-I419 WeakPolarHBondContact O-CG1 3.45Å; V408-I419 PolarHBondContact O-N 2.8Å; V408-Y420 HydrophobicContact CG2-CD1 4.22Å; V408-Y420 PolarHBondContact N-O 3.31Å; V408-Y420 PolarHBondContact O-N 2.86Å; V408-L432 HydrophobicContact CB-CD1 4.01Å; V408-L432 HydrophobicContact CG1-CD1 4.11Å; V408-L432 HydrophobicContact CG2-CD1 4.1Å; V408-L439 HydrophobicContact CG1-CD2 4.07Å; V408-V441 HydrophobicContact CG1-CG2 4.27Å; V408-V441 HydrophobicContact CG2-CG1 4.41Å; V408-V441 HydrophobicContact CG2-CG2 4.38Å
409R92.3Very high86.1Confident43 Ų4356.9 Ų56.916%0.16231%0.313CS..EExtended strand (participates in β ladder)trans-126139.8-176.1-60.9175.8-179-80.8-12112.2M407 G411 P414 S416 P417 V418 L439 Y440M407-R409 PolarHBondContact SD-NH2 2.85Å; R409-G411 PolarHBondContact O-N 2.77Å; R409-P414 PolarHBondContact NE-O 2.84Å; R409-P414 PolarHBondContact NH1-O 3.11Å; R409-S416 WeakPolarHBondContact CD-O 2.98Å; R409-S416 PolarHBondContact NH1-O 2.8Å; R409-P417 CarbonylContact C-O 3.59Å; R409-P417 WeakPolarHBondContact CA-O 3.44Å; R409-P417 WeakPolarHBondContact CB-O 3.3Å; R409-V418 VanDerWaalsContact NH1-CG2 3.27Å; R409-L439 WeakPolarHBondContact O-CA 3.35Å; R409-L439 WeakPolarHBondContact O-CD2 3.45Å; R409-Y440 HydrophobicContact CB-CD1 4.38Å; R409-Y440 HydrophobicContact CG-CD1 4.31Å; R409-Y440 PolarHBondContact N-O 2.88Å; R409-Y440 PolarHBondContact O-N 2.77Å
410S89.8Confident86.8Confident13 Ų1355.4 Ų55.49%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-82.294.3178-169.50000110.3S416 P417 D435 A436S410-S416 WeakPolarHBondContact O-CB 3.32Å; S410-P417 PolarHBondContact N-O 3.4Å; S410-D435 WeakPolarHBondContact OG-CB 3.32Å; S410-D435 PolarHBondContact OG-N 2.89Å; S410-A436 PolarHBondContact OG-N 3.31Å
411G87.7Confident87.3Confident6 Ų654.3 Ų54.36%0.06230%0.299CS..SBendtrans121.7147-17400000112.5R409 S413 S416 S438 Y440R409-G411 PolarHBondContact O-N 2.77Å; G411-S413 PolarHBondContact O-N 3.27Å; G411-S416 WeakPolarHBondContact O-CB 3.1Å; G411-S416 PolarHBondContact O-OG 2.71Å; G411-S438 VanDerWaalsContact CA-O 3.29Å; G411-S438 WeakPolarHBondContact CA-O 3.47Å; G411-S438 WeakPolarHBondContact CA-OG 3.16Å; G411-S438 PolarHBondContact N-O 3.3Å; G411-Y440 VanDerWaalsContact O-CB 3.25Å; G411-Y440 WeakPolarHBondContact O-CB 3.18Å; G411-Y440 PolarHBondContact O-N 2.73Å
412G87.6Confident87.8Confident32 Ų3246.3 Ų46.333%0.3327%0.265SS..SBendtrans-72.831.7-173.200000117.2S438G412-S438 PolarHBondContact N-OG 2.7Å
413S87.8Confident88.1Confident44 Ų4442.7 Ų42.731%0.30825%0.245SC..SBendtrans-136.7152.2-179.987.30000112.9G411 L415 S416G411-S413 PolarHBondContact O-N 3.27Å; S413-L415 PolarHBondContact O-N 2.04Å; S413-L415 PolarHBondContact OG-N 2.88Å; S413-S416 PolarHBondContact N-OG 2.98Å; S413-S416 WeakPolarHBondContact O-CB 3.3Å; S413-S416 PolarHBondContact O-N 2.95Å; S413-S416 PolarHBondContact O-OG 3.24Å; S413-S416 PolarHBondContact OG-N 2.82Å; S413-S416 PolarHBondContact OG-OG 2.86Å
414P86.4Confident88.4Confident74 Ų7446.7 Ų46.748%0.48126%0.264SS..THydrogen-bonded Turntrans-66.1-17.4174.827.1-35.2000113.3R409 S416 Y440R409-P414 PolarHBondContact NE-O 2.84Å; R409-P414 PolarHBondContact NH1-O 3.11Å; P414-S416 VanDerWaalsContact C-N 3.34Å; P414-Y440 HydrophobicContact CB-CE1 4.19Å; P414-Y440 HydrophobicContact CB-CE2 4.2Å
415L89.4Confident88.3Confident166 Ų16649.8 Ų49.887%0.86928%0.28SS*.THydrogen-bonded Turntrans-87.4-3.6175.5-60.6178.6000113S413S413-L415 PolarHBondContact O-N 2.04Å; S413-L415 PolarHBondContact OG-N 2.88Å
416S91.4Very high87.8Confident17 Ų1753.6 Ų53.612%0.11931%0.307CS..SBendtrans-70.2152.7179.8-68.80000111.8R409 S410 G411 S413 P414 V418R409-S416 WeakPolarHBondContact CD-O 2.98Å; R409-S416 PolarHBondContact NH1-O 2.8Å; S410-S416 WeakPolarHBondContact O-CB 3.32Å; G411-S416 WeakPolarHBondContact O-CB 3.1Å; G411-S416 PolarHBondContact O-OG 2.71Å; S413-S416 PolarHBondContact N-OG 2.98Å; S413-S416 WeakPolarHBondContact O-CB 3.3Å; S413-S416 PolarHBondContact O-N 2.95Å; S413-S416 PolarHBondContact O-OG 3.24Å; S413-S416 PolarHBondContact OG-N 2.82Å; S413-S416 PolarHBondContact OG-OG 2.86Å; P414-S416 VanDerWaalsContact C-N 3.34Å; S416-V418 PolarHBondContact O-N 2.92Å
417P89.9Confident87.3Confident92 Ų9256.8 Ų56.860%0.59733%0.326SS*.PPolyproline II helixtrans-54.5134.6179.4-26.535000112.6R409 S410R409-P417 CarbonylContact C-O 3.59Å; R409-P417 WeakPolarHBondContact CA-O 3.44Å; R409-P417 WeakPolarHBondContact CB-O 3.3Å; S410-P417 PolarHBondContact N-O 3.4Å
418V89.4Confident86.5Confident63 Ų6357.7 Ų57.738%0.38233%0.333SS..EExtended strand (participates in β ladder)trans-66.5137170.2-176.90000109R409 S416 Y420 D421R409-V418 VanDerWaalsContact NH1-CG2 3.27Å; S416-V418 PolarHBondContact O-N 2.92Å; V418-Y420 WeakPolarHBondContact CG1-O 3.48Å; V418-D421 HydrophobicContact CG1-CB 4.07Å
419I89Confident85.2Confident45 Ų4565.1 Ų65.123%0.23137%0.368CS..EExtended strand (participates in β ladder)trans-121.9-6.8169.360.2170.7000113V408 L432 L439V408-I419 HydrophobicContact CB-CG1 4.26Å; V408-I419 HydrophobicContact CG1-CD1 4.01Å; V408-I419 HydrophobicContact CG1-CG1 3.94Å; V408-I419 WeakPolarHBondContact O-CG1 3.45Å; V408-I419 PolarHBondContact O-N 2.8Å; I419-L432 HydrophobicContact CD1-CB 4.27Å; I419-L439 HydrophobicContact CD1-CD2 3.78Å
420Y90.4Very high83.7Confident8 Ų871.1 Ų71.13%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-163.4138.9171.2175.9-100.5000110.4F394 L406 V408 V418 D425 D426 L432F394-Y420 HydrophobicContact CE1-CD1 4.3Å; F394-Y420 HydrophobicContact CE1-CE1 4.11Å; F394-Y420 HydrophobicContact CZ-CD1 4.13Å; F394-Y420 HydrophobicContact CZ-CE1 4.35Å; F394-Y420 HydrophobicContact CZ-CG 4.47Å; L406-Y420 HydrophobicContact CD2-CE1 4.35Å; L406-Y420 HydrophobicContact CG-CE1 4.49Å; V408-Y420 HydrophobicContact CG2-CD1 4.22Å; V408-Y420 PolarHBondContact N-O 3.31Å; V408-Y420 PolarHBondContact O-N 2.86Å; V418-Y420 WeakPolarHBondContact CG1-O 3.48Å; Y420-D425 HydrophobicContact CD2-CB 3.57Å; Y420-D425 HydrophobicContact CE2-CB 3.48Å; Y420-D425 VanDerWaalsContact CE2-CB 3.48Å; Y420-D425 WeakPolarHBondContact CE2-O 3.49Å; Y420-D425 PolarHBondContact OH-O 2.93Å; Y420-D426 WeakPolarHBondContact CE2-O 3.44Å; Y420-L432 HydrophobicContact CD1-CD1 4.47Å; Y420-L432 HydrophobicContact CG-CD1 3.9Å
421D87.9Confident83.1Confident19 Ų1971.2 Ų71.210%0.10239%0.393CS..EExtended strand (participates in β ladder)trans-142.2115178-155.1-6.8000109.5R405 M407 V418 D423 M424 D425R405-D421 IonicContact CZ-OD1 3.24Å; R405-D421 VanDerWaalsContact CZ-OD1 3.24Å; R405-D421 IonicContact CZ-OD2 3.69Å; R405-D421 IonicContact NE-OD1 2.8Å; R405-D421 PolarHBondContact NE-OD1 3.08Å; R405-D421 IonicContact NE-OD2 3.99Å; R405-D421 IonicContact NH2-OD1 2.99Å; R405-D421 PolarHBondContact NH2-OD1 3.12Å; R405-D421 IonicContact NH2-OD2 2.68Å; R405-D421 PolarHBondContact NH2-OD2 3.03Å; M407-D421 VanDerWaalsContact CG-OD1 3.24Å; M407-D421 WeakPolarHBondContact CG-OD1 3.22Å; V418-D421 HydrophobicContact CG1-CB 4.07Å; D421-D423 PolarHBondContact O-N 3.29Å; D421-D423 VanDerWaalsContact O-N 3.1Å; D421-M424 HydrophobicContact CB-CB 4.38Å; D421-M424 HydrophobicContact CB-CG 4.36Å; D421-M424 PolarHBondContact O-N 2.97Å; D421-D425 PolarHBondContact N-OD2 2.85Å; D421-D425 VanDerWaalsContact N-OD2 3.08Å; D421-D425 PolarHBondContact O-N 3.11Å
422S86.4Confident82.8Confident29 Ų2972 Ų7220%0.20340%0.396CS..THydrogen-bonded Turntrans-58.2-28.1-172.654.30000114.7R405 L406 M424R405-S422 WeakPolarHBondContact CA-OG 3.47Å; L406-S422 PolarHBondContact N-OG 2.6Å; L406-S422 PolarHBondContact O-N 3Å; S422-M424 PolarHBondContact O-N 2.85Å
423D84.3Confident82.5Confident79 Ų7973.5 Ų73.542%0.42240%0.396SS..THydrogen-bonded Turntrans-68.6-14.6177.8-54.320000112.6R405 D421R405-D423 WeakPolarHBondContact CD-OD1 3.39Å; R405-D423 WeakPolarHBondContact CD-OD2 3.31Å; R405-D423 WeakPolarHBondContact CG-OD1 3.27Å; R405-D423 IonicContact CZ-OD1 3.96Å; R405-D423 IonicContact CZ-OD2 3.07Å; R405-D423 IonicContact NE-OD1 3.43Å; R405-D423 PolarHBondContact NE-OD1 2.68Å; R405-D423 IonicContact NE-OD2 3.31Å; R405-D423 PolarHBondContact NE-OD2 2.96Å; R405-D423 IonicContact NH1-OD2 2.66Å; R405-D423 PolarHBondContact NH1-OD2 3.07Å; R405-D423 IonicContact NH2-OD2 3.89Å; D421-D423 PolarHBondContact O-N 3.29Å; D421-D423 VanDerWaalsContact O-N 3.1Å
424M83.8Confident82.4Confident144 Ų14471.4 Ų71.471%0.70938%0.381SS*.THydrogen-bonded Turntrans-129.6-29.6-167.6-56-72.4132.200113.4D421 S422D421-M424 HydrophobicContact CB-CB 4.38Å; D421-M424 HydrophobicContact CB-CG 4.36Å; D421-M424 PolarHBondContact O-N 2.97Å; S422-M424 PolarHBondContact O-N 2.85Å
425D80Confident82.2Confident76 Ų7673.4 Ų73.441%0.40639%0.388SS..  trans-124.6128.3-169-61.5-52.9000112.6Y420 D421Y420-D425 HydrophobicContact CD2-CB 3.57Å; Y420-D425 HydrophobicContact CE2-CB 3.48Å; Y420-D425 VanDerWaalsContact CE2-CB 3.48Å; Y420-D425 WeakPolarHBondContact CE2-O 3.49Å; Y420-D425 PolarHBondContact OH-O 2.93Å; D421-D425 PolarHBondContact N-OD2 2.85Å; D421-D425 VanDerWaalsContact N-OD2 3.08Å; D421-D425 PolarHBondContact O-N 3.11Å
426D77.6Confident81.8Confident158 Ų15867 Ų6785%0.84536%0.359SS*.PPolyproline II helixtrans-60.5145.6167.6-71.5-56.2000111.7Y420 P428Y420-D426 WeakPolarHBondContact CE2-O 3.44Å; D426-P428 WeakPolarHBondContact O-CD 3.21Å
427V78.1Confident81.6Confident67 Ų6771 Ų7141%0.40638%0.376SS..PPolyproline II helixtrans-58.2119.1179.9179.40000110.8F394 V397 E429F394-V427 HydrophobicContact CB-CG1 3.66Å; F394-V427 HydrophobicContact CD1-CG1 3.87Å; F394-V427 HydrophobicContact CG-CG1 3.79Å; V397-V427 HydrophobicContact CB-CG2 4.25Å; V397-V427 HydrophobicContact CG1-CG2 4Å; V397-V427 HydrophobicContact CG2-CG1 4Å; V397-V427 HydrophobicContact CG2-CG2 4.21Å; V427-E429 PolarHBondContact O-N 3.33Å
428P74.1Confident81.6Confident36 Ų3667.4 Ų67.423%0.23435%0.353CS..PPolyproline II helixtrans-76.4119.8-16927.3-33.8000112.5F394 D426 R430 G431 L432F394-P428 HydrophobicContact CD2-CG 4.18Å; F394-P428 HydrophobicContact CE2-CG 3.91Å; D426-P428 WeakPolarHBondContact O-CD 3.21Å; P428-R430 PolarHBondContact O-N 3.49Å; P428-G431 PolarHBondContact O-N 2.9Å; P428-L432 HydrophobicContact CG-CD2 3.97Å; P428-L432 HydrophobicContact CG-CG 3.92Å
429E65.6Low81.8Confident157 Ų15764.4 Ų64.473%0.73434%0.335SS*.THydrogen-bonded Turntrans-49.1-28.6-178.6-66.9-172.1153.600115.2V427 F470V427-E429 PolarHBondContact O-N 3.33Å; E429-F470 WeakPolarHBondContact O-CD1 3.33Å
430R61.9Low82Confident168 Ų16863 Ų6363%0.63433%0.327SS*.THydrogen-bonded Turntrans-103.93.2-176.3-61.8-176.8-175.8172.63.1113.6H391 P428H391-R430 PolarHBondContact NE2-O 2.82Å; P428-R430 PolarHBondContact O-N 3.49Å
431G76.1Confident82.1Confident15 Ų1562.7 Ų62.716%0.15533%0.325CS..  trans71.3-173.8-169.200000113.8L392 P428L392-G431 CarbonylContact O-C 3.49Å; L392-G431 WeakPolarHBondContact O-CA 3.17Å; P428-G431 PolarHBondContact O-N 2.9Å
432L81.1Confident82.2Confident22 Ų2262.8 Ų62.812%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-114.3143.6-178.1-65.6164.8000111H391 L392 F394 V408 I419 Y420 P428H391-L432 CarbonylContact C-O 3.59Å; H391-L432 WeakPolarHBondContact CA-O 3.4Å; H391-L432 PolarHBondContact CD2-O 3.16Å; L392-L432 PolarHBondContact N-O 3.08Å; L392-L432 PolarHBondContact O-N 2.87Å; F394-L432 HydrophobicContact CE2-CD1 3.62Å; F394-L432 HydrophobicContact CE2-CG 3.83Å; F394-L432 HydrophobicContact CZ-CD1 3.56Å; F394-L432 HydrophobicContact CZ-CG 4.26Å; V408-L432 HydrophobicContact CB-CD1 4.01Å; V408-L432 HydrophobicContact CG1-CD1 4.11Å; V408-L432 HydrophobicContact CG2-CD1 4.1Å; I419-L432 HydrophobicContact CD1-CB 4.27Å; Y420-L432 HydrophobicContact CD1-CD1 4.47Å; Y420-L432 HydrophobicContact CG-CD1 3.9Å; P428-L432 HydrophobicContact CG-CD2 3.97Å; P428-L432 HydrophobicContact CG-CG 3.92Å
433I82.5Confident82.3Confident64 Ų6461.4 Ų61.433%0.32832%0.315SS..EExtended strand (participates in β ladder)trans-110.9137.4175-67.7172.8000108.8L390 H391 F461 F467L390-I433 WeakPolarHBondContact O-CA 3.39Å; H391-I433 HydrophobicContact CB-CG1 4.5Å; I433-F461 HydrophobicContact CG2-CE1 4.12Å; I433-F461 HydrophobicContact CG2-CZ 3.71Å; I433-F467 HydrophobicContact CD1-CD1 4.38Å; I433-F467 HydrophobicContact CD1-CE1 4.31Å
434S85.1Confident82.4Confident0 Ų060.1 Ų60.10%031%0.308CS..  trans-83.8141.1175.273.10000112.5R389 L390 A436R389-S434 WeakPolarHBondContact CD-O 3.31Å; L390-S434 PolarHBondContact N-OG 3.23Å; L390-S434 PolarHBondContact O-N 3.38Å; L390-S434 PolarHBondContact O-OG 2.87Å; S434-A436 VanDerWaalsContact CB-O 3.27Å; S434-A436 WeakPolarHBondContact CB-O 3.44Å; S434-A436 PolarHBondContact OG-O 2.04Å
435D81.5Confident82.2Confident117 Ų11753.3 Ų53.363%0.62628%0.275SS*.SBendtrans-82.9-25.2167.5-62.8-60.6000112.4R389 S410R389-D435 IonicContact NH1-OD1 3.59Å; S410-D435 WeakPolarHBondContact OG-CB 3.32Å; S410-D435 PolarHBondContact OG-N 2.89Å
436A81.8Confident81.9Confident31 Ų3155.7 Ų55.726%0.25628%0.284SS..SBendtrans-98163.7174.300000111.7S410 S434 S438S410-A436 PolarHBondContact OG-N 3.31Å; S434-A436 VanDerWaalsContact CB-O 3.27Å; S434-A436 WeakPolarHBondContact CB-O 3.44Å; S434-A436 PolarHBondContact OG-O 2.04Å; A436-S438 PolarHBondContact O-N 2.84Å
437Q87.1Confident81.3Confident101 Ų10151.3 Ų51.347%0.47226%0.263SS..SBendtrans-68.65.7170.472.8-1721600114.5A384 R388A384-Q437 PolarHBondContact N-O 2.9Å; R388-Q437 VanDerWaalsContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CA 3.3Å; R388-Q437 WeakPolarHBondContact O-CB 3.45Å
438S90.7Very high80.3Confident17 Ų1750.1 Ų50.112%0.11926%0.257CS..EExtended strand (participates in β ladder)trans-143.9154-177.347.20000112.1I382 G411 G412 A436I382-S438 CarbonylContact O-C 3.58Å; I382-S438 WeakPolarHBondContact O-CA 3.42Å; I382-S438 VanDerWaalsContact O-CB 3.3Å; I382-S438 WeakPolarHBondContact O-CB 3.37Å; G411-S438 VanDerWaalsContact CA-O 3.29Å; G411-S438 WeakPolarHBondContact CA-O 3.47Å; G411-S438 WeakPolarHBondContact CA-OG 3.16Å; G411-S438 PolarHBondContact N-O 3.3Å; G412-S438 PolarHBondContact N-OG 2.7Å; A436-S438 PolarHBondContact O-N 2.84Å
439L92.5Very high79.1Confident0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-125.2140.3171.9-74.9173.9000109.6V381 I382 L390 L392 V408 R409 I419V381-L439 WeakPolarHBondContact CA-O 3.45Å; I382-L439 HydrophobicContact CB-CB 4.47Å; I382-L439 PolarHBondContact N-O 3.3Å; I382-L439 PolarHBondContact O-N 3.3Å; L390-L439 HydrophobicContact CB-CD1 3.7Å; L390-L439 HydrophobicContact CB-CG 4.12Å; L390-L439 HydrophobicContact CD1-CB 4.16Å; L390-L439 HydrophobicContact CD1-CD1 4.21Å; L390-L439 HydrophobicContact CD1-CG 4Å; L392-L439 HydrophobicContact CB-CD1 3.99Å; L392-L439 HydrophobicContact CD2-CD1 4.36Å; V408-L439 HydrophobicContact CG1-CD2 4.07Å; R409-L439 WeakPolarHBondContact O-CA 3.35Å; R409-L439 WeakPolarHBondContact O-CD2 3.45Å; I419-L439 HydrophobicContact CD1-CD2 3.78Å
440Y92.7Very high78.6Confident16 Ų1648.3 Ų48.36%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-111.1124.1167.1173-78.2000107.9R379 V381 R409 G411 P414 E442R379-Y440 WeakPolarHBondContact CD-OH 3.31Å; V381-Y440 HydrophobicContact CG2-CD2 3.92Å; R409-Y440 HydrophobicContact CB-CD1 4.38Å; R409-Y440 HydrophobicContact CG-CD1 4.31Å; R409-Y440 PolarHBondContact N-O 2.88Å; R409-Y440 PolarHBondContact O-N 2.77Å; G411-Y440 VanDerWaalsContact O-CB 3.25Å; G411-Y440 WeakPolarHBondContact O-CB 3.18Å; G411-Y440 PolarHBondContact O-N 2.73Å; P414-Y440 HydrophobicContact CB-CE1 4.19Å; P414-Y440 HydrophobicContact CB-CE2 4.2Å; Y440-E442 HydrophobicContact CD1-CB 4.46Å; Y440-E442 HydrophobicContact CE1-CB 3.63Å; Y440-E442 WeakPolarHBondContact CE1-OE2 3.41Å; Y440-E442 VanDerWaalsContact OH-CD 3.3Å; Y440-E442 PolarHBondContact OH-OE2 3.2Å
441V92.8Very high78.3Confident0 Ų044.1 Ų44.10%026%0.256CS..EExtended strand (participates in β ladder)trans-120.7126-178.6-177.70000108.5I363 R379 W380 L392 L406 M407 V408 L456I363-V441 HydrophobicContact CD1-CB 4.31Å; I363-V441 HydrophobicContact CD1-CG1 4.18Å; I363-V441 HydrophobicContact CD1-CG2 4.36Å; R379-V441 CarbonylContact C-O 3.2Å; R379-V441 WeakPolarHBondContact CA-O 3.02Å; W380-V441 HydrophobicContact CB-CB 4.42Å; W380-V441 HydrophobicContact CE3-CB 4.26Å; W380-V441 HydrophobicContact CE3-CG1 4Å; W380-V441 HydrophobicContact CZ3-CG1 4.41Å; W380-V441 PolarHBondContact N-O 2.96Å; W380-V441 PolarHBondContact O-N 2.82Å; L392-V441 HydrophobicContact CD2-CG2 4.15Å; L406-V441 HydrophobicContact CD1-CG1 3.8Å; M407-V441 WeakPolarHBondContact O-CA 3.07Å; V408-V441 HydrophobicContact CG1-CG2 4.27Å; V408-V441 HydrophobicContact CG2-CG1 4.41Å; V408-V441 HydrophobicContact CG2-CG2 4.38Å; V441-L456 HydrophobicContact CG1-CD1 4.19Å
442E91.4Very high77.6Confident21 Ų2143.6 Ų43.610%0.09825%0.25CC..EExtended strand (participates in β ladder)trans-128.6120.1-179.1177.7160.7-16000110.3C378 R379 L406 M407 Y440 L444C378-E442 WeakPolarHBondContact O-CA 3.4Å; R379-E442 HydrophobicContact CG-CB 4.4Å; R379-E442 HydrophobicContact CG-CG 4.03Å; R379-E442 IonicContact CZ-OE1 3.11Å; R379-E442 IonicContact NE-OE1 2.75Å; R379-E442 PolarHBondContact NE-OE1 3.45Å; R379-E442 IonicContact NH2-OE1 2.69Å; R379-E442 PolarHBondContact NH2-OE1 3.1Å; L406-E442 WeakPolarHBondContact CA-O 3.43Å; M407-E442 HydrophobicContact CE-CG 4.49Å; M407-E442 PolarHBondContact N-O 2.9Å; M407-E442 PolarHBondContact O-N 3.05Å; Y440-E442 HydrophobicContact CD1-CB 4.46Å; Y440-E442 HydrophobicContact CE1-CB 3.63Å; Y440-E442 WeakPolarHBondContact CE1-OE2 3.41Å; Y440-E442 VanDerWaalsContact OH-CD 3.3Å; Y440-E442 PolarHBondContact OH-OE2 3.2Å; E442-L444 HydrophobicContact CG-CD2 4.08Å; E442-L444 HydrophobicContact CG-CG 4.25Å
443L87.9Confident76.9Confident0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-106.6128171.7176.767.2000108.7T377 C378 W380 L399 R405 L406 L454T377-L443 CarbonylContact C-O 3.59Å; T377-L443 WeakPolarHBondContact CA-O 3.42Å; C378-L443 HydrophobicContact CB-CB 4.39Å; C378-L443 PolarHBondContact N-O 3.5Å; C378-L443 PolarHBondContact O-N 2.79Å; W380-L443 HydrophobicContact CH2-CB 4.36Å; W380-L443 HydrophobicContact CH2-CD2 4.47Å; W380-L443 HydrophobicContact CZ3-CB 3.92Å; L399-L443 HydrophobicContact CD2-CD1 3.76Å; R405-L443 CarbonylContact O-C 3.56Å; R405-L443 WeakPolarHBondContact O-CA 3.39Å; L406-L443 HydrophobicContact CB-CD1 4.41Å; L406-L443 HydrophobicContact CD1-CB 4.37Å; L443-L454 HydrophobicContact CB-CD2 4.37Å; L443-L454 HydrophobicContact CD1-CD2 4.37Å; L443-L454 HydrophobicContact CD2-CD2 3.94Å; L443-L454 HydrophobicContact CG-CD2 4.45Å
444L86.8Confident76.7Confident52 Ų5243 Ų4327%0.27225%0.247SC..EExtended strand (participates in β ladder)trans-118.2138.4171.5-54.2176.5000108.1T377 D404 R405 M407 E442T377-L444 HydrophobicContact CG2-CD2 3.63Å; D404-L444 CarbonylContact C-O 3.57Å; D404-L444 WeakPolarHBondContact CA-O 3.32Å; R405-L444 PolarHBondContact N-O 2.88Å; R405-L444 PolarHBondContact O-N 2.92Å; M407-L444 HydrophobicContact CE-CD1 4.01Å; E442-L444 HydrophobicContact CG-CD2 4.08Å; E442-L444 HydrophobicContact CG-CG 4.25Å
445S79.9Confident76.7Confident2 Ų243.3 Ų43.31%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-144127.1173.51730000108.9N375 L376 D404 L452N375-S445 CarbonylContact C-O 3.5Å; N375-S445 VanDerWaalsContact CA-O 3.32Å; N375-S445 WeakPolarHBondContact CA-O 3.37Å; L376-S445 PolarHBondContact N-O 2.81Å; L376-S445 PolarHBondContact O-N 3.2Å; D404-S445 WeakPolarHBondContact OD1-CA 3.29Å; D404-S445 WeakPolarHBondContact OD1-CB 3.44Å; D404-S445 PolarHBondContact OD1-OG 3.47Å; S445-L452 WeakPolarHBondContact OG-CD1 3.49Å
446E73.3Confident76.8Confident125 Ų12537.8 Ų37.858%0.58422%0.22SC*.SBendtrans-92-18.9-178.7-62.1-153.4155.100114.1P374 N403P374-E446 VanDerWaalsContact O-O 3.1Å; N403-E446 PolarHBondContact O-N 3.44Å
447T64.3Low76.9Confident66 Ų6639 Ų3941%0.40522%0.218SC..  trans-148.8107.9172.850.20000110.9A449T447-A449 PolarHBondContact O-N 2.88Å
448P56.8Low76.9Confident43 Ų4334.6 Ų34.628%0.27920%0.197SC..THydrogen-bonded Turntrans-76.652.6175.833.2-37.2000111.7P368 P374P368-P448 WeakPolarHBondContact CB-O 3.32Å; P374-P448 WeakPolarHBondContact O-CD 3.31Å
449A50.3Low76.7Confident84 Ų8437.6 Ų37.669%0.69421%0.209SC*.THydrogen-bonded Turntrans-80.9-25.2178.800000112.4T447T447-A449 PolarHBondContact O-N 2.88Å
450N54.8Low76.3Confident70 Ų7038.4 Ų38.437%0.37422%0.215SC..SBendtrans-100149.9173-70-38.1000110.6P368 D400 L452P368-N450 VanDerWaalsContact CG-O 3.28Å; P368-N450 WeakPolarHBondContact CG-O 3.33Å; D400-N450 PolarHBondContact OD2-ND2 2.82Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.43Å
451P55.3Low75.5Confident81 Ų8139.6 Ų39.653%0.52622%0.221SC..  trans-70.787.8174.529.7-34.2000110.9L453P451-L453 PolarHBondContact O-N 2.84Å
452L60.3Low74.6Confident4 Ų442.5 Ų42.52%0.02124%0.235CC..  trans-59.791.3175.1-99160.2000111.2S365 S398 L399 D404 S445 N450 L454S365-L452 PolarHBondContact OG-O 3.09Å; S398-L452 WeakPolarHBondContact O-CD2 3.46Å; L399-L452 HydrophobicContact CD2-CD2 3.61Å; D404-L452 WeakPolarHBondContact OD2-CD2 3.29Å; S445-L452 WeakPolarHBondContact OG-CD1 3.49Å; N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact O-N 3.43Å; L452-L454 PolarHBondContact O-N 2.94Å
453L67.1Low73Confident69 Ų6947.3 Ų47.336%0.36126%0.257SS..  trans-97.460.5176.3-72.5168.8000110.6R396 P451R396-L453 CarbonylContact C-O 3.55Å; R396-L453 WeakPolarHBondContact CB-O 3.29Å; P451-L453 PolarHBondContact O-N 2.84Å
454L78.8Confident71.4Confident3 Ų355 Ų552%0.01630%0.298CS..  trans-75.1123.1166.5-175.864.3000108.9V364 S365 W380 V397 L406 L443 L452 L456V364-L454 VanDerWaalsContact CA-O 3.3Å; V364-L454 WeakPolarHBondContact CA-O 3.33Å; S365-L454 PolarHBondContact N-O 3.04Å; S365-L454 WeakPolarHBondContact OG-CB 3.49Å; S365-L454 PolarHBondContact OG-N 3.5Å; W380-L454 HydrophobicContact CH2-CD2 4.45Å; W380-L454 HydrophobicContact CZ3-CD2 4.41Å; V397-L454 HydrophobicContact CG2-CD1 4.41Å; L406-L454 HydrophobicContact CD1-CD2 3.89Å; L406-L454 HydrophobicContact CD2-CD1 3.67Å; L406-L454 HydrophobicContact CD2-CD2 4.3Å; L443-L454 HydrophobicContact CB-CD2 4.37Å; L443-L454 HydrophobicContact CD1-CD2 4.37Å; L443-L454 HydrophobicContact CD2-CD2 3.94Å; L443-L454 HydrophobicContact CG-CD2 4.45Å; L452-L454 PolarHBondContact O-N 2.94Å; L454-L456 HydrophobicContact CD1-CD1 4.09Å; L454-L456 HydrophobicContact CD1-CD2 3.75Å; L454-L456 HydrophobicContact CD1-CG 3.82Å; L454-L456 HydrophobicContact CD2-CD1 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.33Å; L454-L456 HydrophobicContact CG-CG 4.1Å
455S83.9Confident69.5Low8 Ų860.2 Ų60.26%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-141.9112.5171.9-158.30000110.2R362 I363 V364 E395 R396R362-S455 WeakPolarHBondContact CD-OG 3.36Å; R362-S455 PolarHBondContact NH1-OG 3.25Å; I363-S455 WeakPolarHBondContact O-CA 3.36Å; V364-S455 WeakPolarHBondContact CG1-OG 3.48Å; E395-S455 PolarHBondContact N-O 2.9Å; R396-S455 PolarHBondContact N-O 2.96Å; R396-S455 VanDerWaalsContact N-O 3.15Å; R396-S455 PolarHBondContact O-N 2.91Å
456L84.8Confident67.7Low0 Ų066.4 Ų66.40%036%0.356CS..EExtended strand (participates in β ladder)trans-118.7126.3-176.1-51.6176.7000110.1R362 I363 L392 H393 F394 L406 V441 L454R362-L456 CarbonylContact C-O 3.25Å; R362-L456 VanDerWaalsContact CA-O 3.29Å; R362-L456 WeakPolarHBondContact CA-O 3.21Å; I363-L456 HydrophobicContact CD1-CB 4.38Å; I363-L456 HydrophobicContact CD1-CD1 4.18Å; I363-L456 HydrophobicContact CG1-CB 3.86Å; I363-L456 HydrophobicContact CG1-CD1 4.45Å; I363-L456 PolarHBondContact N-O 2.91Å; I363-L456 PolarHBondContact O-N 2.79Å; L392-L456 HydrophobicContact CD1-CB 3.87Å; L392-L456 HydrophobicContact CD2-CD1 4.28Å; L392-L456 HydrophobicContact CG-CB 4.42Å; H393-L456 CarbonylContact O-C 3.47Å; H393-L456 VanDerWaalsContact O-CA 3.26Å; H393-L456 WeakPolarHBondContact O-CA 3.27Å; F394-L456 HydrophobicContact CB-CD2 4.13Å; F394-L456 HydrophobicContact CD1-CD2 3.34Å; F394-L456 HydrophobicContact CE1-CD2 3.83Å; F394-L456 HydrophobicContact CG-CD2 3.75Å; L406-L456 HydrophobicContact CD2-CD1 4.47Å; V441-L456 HydrophobicContact CG1-CD1 4.19Å; L454-L456 HydrophobicContact CD1-CD1 4.09Å; L454-L456 HydrophobicContact CD1-CD2 3.75Å; L454-L456 HydrophobicContact CD1-CG 3.82Å; L454-L456 HydrophobicContact CD2-CD1 4.31Å; L454-L456 HydrophobicContact CG-CD1 4.33Å; L454-L456 HydrophobicContact CG-CG 4.1Å
457R84.7Confident66.3Low58 Ų5865.8 Ų65.822%0.21935%0.351CS..EExtended strand (participates in β ladder)trans-99.8121.8177167.7-173.7179.3-76.7-3109.7L360 G361 H393 E395 E459L360-R457 HydrophobicContact CD1-CG 4.29Å; G361-R457 CarbonylContact O-C 3.59Å; G361-R457 WeakPolarHBondContact O-CA 3.38Å; H393-R457 HydrophobicContact CB-CB 4.19Å; H393-R457 WeakPolarHBondContact CB-O 3.45Å; H393-R457 PolarHBondContact CE1-NH1 2.93Å; H393-R457 VanDerWaalsContact CE1-NH1 3.32Å; H393-R457 PolarHBondContact N-O 3.02Å; H393-R457 PolarHBondContact ND1-NH1 2.68Å; H393-R457 PolarHBondContact ND1-O 2.98Å; H393-R457 PolarHBondContact O-N 2.93Å; E395-R457 HydrophobicContact CG-CB 4.35Å; E395-R457 WeakPolarHBondContact OE1-CB 3.46Å; E395-R457 WeakPolarHBondContact OE1-CD 3.24Å; R457-E459 IonicContact CZ-OE2 3.43Å; R457-E459 IonicContact NH1-OE2 2.7Å; R457-E459 PolarHBondContact NH1-OE2 2.91Å; R457-E459 IonicContact NH2-OE2 2.76Å; R457-E459 PolarHBondContact NH2-OE2 2.8Å
458F86.6Confident65Low8 Ų866.6 Ų66.64%0.03537%0.365CS..EExtended strand (participates in β ladder)trans-103.6141.4175.962.1-94.3000110.9I355 A358 L360 G361 I363 I382 H391 L392I355-F458 HydrophobicContact CD1-CE1 3.63Å; I355-F458 HydrophobicContact CD1-CZ 3.73Å; I355-F458 HydrophobicContact CG2-CE2 4.31Å; I355-F458 HydrophobicContact CG2-CZ 3.93Å; A358-F458 HydrophobicContact CB-CD2 4.06Å; A358-F458 HydrophobicContact CB-CE2 3.76Å; L360-F458 WeakPolarHBondContact CA-O 3.45Å; G361-F458 VanDerWaalsContact CA-CZ 3.43Å; G361-F458 PolarHBondContact N-O 2.87Å; G361-F458 PolarHBondContact O-N 2.82Å; I363-F458 HydrophobicContact CG2-CE1 4.21Å; I382-F458 HydrophobicContact CD1-CB 4.1Å; I382-F458 HydrophobicContact CD1-CD1 3.82Å; I382-F458 HydrophobicContact CD1-CG 4.03Å; I382-F458 HydrophobicContact CG2-CD1 4.49Å; I382-F458 HydrophobicContact CG2-CD2 3.91Å; I382-F458 HydrophobicContact CG2-CE2 4.22Å; I382-F458 HydrophobicContact CG2-CG 4.06Å; H391-F458 WeakPolarHBondContact O-CA 3.31Å; L392-F458 HydrophobicContact CD1-CB 4.09Å
459E85.4Confident64Low80 Ų8068.6 Ų68.637%0.37438%0.378SS..EExtended strand (participates in β ladder)trans-136.6134.4176.4-175.5168.7-179.600109.4L360 L390 H391 R457L360-E459 HydrophobicContact CD1-CB 4.3Å; L360-E459 HydrophobicContact CD1-CG 4.48Å; L390-E459 WeakPolarHBondContact CA-O 3.44Å; H391-E459 PolarHBondContact N-O 3.34Å; H391-E459 PolarHBondContact O-N 3.06Å; R457-E459 IonicContact CZ-OE2 3.43Å; R457-E459 IonicContact NH1-OE2 2.7Å; R457-E459 PolarHBondContact NH1-OE2 2.91Å; R457-E459 IonicContact NH2-OE2 2.76Å; R457-E459 PolarHBondContact NH2-OE2 2.8Å
460A85.4Confident63.4Low16 Ų1668 Ų6813%0.13236%0.36CS..EExtended strand (participates in β ladder)trans-103.2128-177.600000111.6A358 T359 A384 R389 L390A358-A460 WeakPolarHBondContact O-CB 3.32Å; T359-A460 PolarHBondContact O-N 3.27Å; A384-A460 HydrophobicContact CB-CB 4Å; R389-A460 CarbonylContact O-C 3.56Å; R389-A460 VanDerWaalsContact O-CA 3.26Å; R389-A460 WeakPolarHBondContact O-CA 3.48Å; L390-A460 HydrophobicContact CD2-CB 3.91Å
461F75.8Confident62.6Low42 Ų4269.5 Ų69.518%0.18437%0.367CS..EExtended strand (participates in β ladder)trans-129.2157.5-17369.9-84.7000112.4R388 R389 H391 I433R388-F461 CarbonylContact C-O 3.43Å; R388-F461 WeakPolarHBondContact CA-O 3.5Å; R388-F461 VanDerWaalsContact CB-O 3.29Å; R388-F461 WeakPolarHBondContact CB-O 3.49Å; R389-F461 HydrophobicContact CB-CD1 4.32Å; R389-F461 HydrophobicContact CB-CE1 3.7Å; R389-F461 HydrophobicContact CB-CE2 4.08Å; R389-F461 HydrophobicContact CB-CZ 3.56Å; R389-F461 HydrophobicContact CG-CZ 4.49Å; R389-F461 PolarHBondContact N-O 2.68Å; R389-F461 WeakPolarHBondContact O-CD1 3.45Å; R389-F461 PolarHBondContact O-N 2.68Å; H391-F461 HydrophobicContact CB-CD1 4.08Å; H391-F461 HydrophobicContact CB-CE1 3.98Å; I433-F461 HydrophobicContact CG2-CE1 4.12Å; I433-F461 HydrophobicContact CG2-CZ 3.71Å
462E73.9Confident61.7Low60 Ų6068.3 Ų68.328%0.2836%0.364SS..EExtended strand (participates in β ladder)trans-87.7136.3176.9-71155-173.600109.7R388 D464 R465R388-E462 HydrophobicContact CG-CG 4.02Å; R388-E462 IonicContact CZ-OE1 3.72Å; R388-E462 IonicContact NE-OE1 3.19Å; R388-E462 PolarHBondContact NE-OE1 3.14Å; R388-E462 IonicContact NH2-OE1 3.06Å; R388-E462 PolarHBondContact NH2-OE1 2.71Å; E462-D464 PolarHBondContact O-N 2.96Å; E462-R465 HydrophobicContact CB-CG 4.36Å; E462-R465 PolarHBondContact O-N 3.39Å; E462-R465 VanDerWaalsContact O-N 3.07Å; E462-R465 IonicContact OE2-CZ 2.75Å; E462-R465 IonicContact OE2-NE 3.17Å; E462-R465 PolarHBondContact OE2-NE 3.43Å; E462-R465 IonicContact OE2-NH2 3.69Å; E462-R465 PolarHBondContact OE2-NH2 3.01Å
463E57.6Low60.5Low122 Ų12274.3 Ų74.357%0.5739%0.392SS*.THydrogen-bonded Turntrans-57-26.2-172.4-170.815715400114R389 R465R389-E463 IonicContact CZ-OE1 2.74Å; R389-E463 IonicContact CZ-OE2 2.76Å; R389-E463 IonicContact NE-OE2 3.92Å; R389-E463 PolarHBondContact NE-OE2 2.89Å; R389-E463 IonicContact NH2-OE1 2.71Å; R389-E463 PolarHBondContact NH2-OE1 2.94Å; R389-E463 IonicContact NH2-OE2 3.45Å; R389-E463 PolarHBondContact NH2-OE2 3.3Å; E463-R465 VanDerWaalsContact C-N 3.27Å; E463-R465 PolarHBondContact O-N 3.34Å
464D53.5Low58.7Low161 Ų16172.8 Ų72.886%0.86139%0.393SS*.THydrogen-bonded Turntrans-74.7-8.2-179.1-55.3-16.1000114.3E462E462-D464 PolarHBondContact O-N 2.96Å
465R46.3Very low56.5Low163 Ų16377.6 Ų77.662%0.61542%0.419SS*.SBendtrans-106.8130.7-170.4-59.9-171.9-170.7-137.85.8113E462 E463 F467E462-R465 HydrophobicContact CB-CG 4.36Å; E462-R465 PolarHBondContact O-N 3.39Å; E462-R465 VanDerWaalsContact O-N 3.07Å; E462-R465 IonicContact OE2-CZ 2.75Å; E462-R465 IonicContact OE2-NE 3.17Å; E462-R465 PolarHBondContact OE2-NE 3.43Å; E462-R465 IonicContact OE2-NH2 3.69Å; E462-R465 PolarHBondContact OE2-NH2 3.01Å; E463-R465 VanDerWaalsContact C-N 3.27Å; E463-R465 PolarHBondContact O-N 3.34Å; R465-F467 PolarHBondContact O-N 3.4Å
466C42.2Very low54.1Low131 Ų13182.3 Ų82.389%0.88545%0.447SS*.PPolyproline II helixtrans-64.2123.9165-57.50000110.3
467F45.4Very low51.8Low112 Ų11287.8 Ų87.849%0.49148%0.48SS..PPolyproline II helixtrans-67.8147172.261-88.5000111.1I433 R465I433-F467 HydrophobicContact CD1-CD1 4.38Å; I433-F467 HydrophobicContact CD1-CE1 4.31Å; R465-F467 PolarHBondContact O-N 3.4Å
468A35.4Very low49.4Very low84 Ų8490 Ų9069%0.69450%0.5SS*.PPolyproline II helixtrans-72129.8163.300000108.1F470A468-F470 PolarHBondContact O-N 2.79Å
469P36.8Very low46.8Very low84 Ų8494.9 Ų94.955%0.54554%0.542SS..PPolyproline II helixtrans-64.9126.5178.726.9-33.5000109.7L471P469-L471 PolarHBondContact O-N 2.74Å; P469-L471 VanDerWaalsContact O-N 3.1Å
470F36.8Very low44.4Very low71 Ų7195.3 Ų95.331%0.31155%0.547SS..  trans-62.2114.7172.3178.9-103.5000109.4H393 E429 A468 A472H393-F470 AromaticContact CD2-CD2 3.42Å; H393-F470 VanDerWaalsContact CD2-CD2 3.42Å; H393-F470 WeakPolarHBondContact CD2-CD2 3.04Å; H393-F470 AromaticContact CD2-CE2 3.97Å; H393-F470 AromaticContact CD2-CG 3.71Å; E429-F470 WeakPolarHBondContact O-CD1 3.33Å; A468-F470 PolarHBondContact O-N 2.79Å; F470-A472 HydrophobicContact CD1-CB 4.35Å; F470-A472 HydrophobicContact CE1-CB 3.89Å
471L38.1Very low42Very low103 Ų103100.7 Ų100.754%0.53958%0.581SS.*  trans-92.594.5173.7-70.9168.3000107.7P469 H473P469-L471 PolarHBondContact O-N 2.74Å; P469-L471 VanDerWaalsContact O-N 3.1Å; L471-H473 PolarHBondContact O-N 2.95Å; L471-H473 VanDerWaalsContact O-N 3.1Å
472A36.8Very low40.1Very low55 Ų55107.9 Ų107.946%0.45562%0.615SS.*SBendtrans-51.7-34.817700000112.2F470F470-A472 HydrophobicContact CD1-CB 4.35Å; F470-A472 HydrophobicContact CE1-CB 3.89Å
473H34.5Very low38.2Very low130 Ų130109.5 Ų109.560%0.60263%0.626SS**SBendtrans-135.497178.2-57.7-30.4000113.2L471 S511L471-H473 PolarHBondContact O-N 2.95Å; L471-H473 VanDerWaalsContact O-N 3.1Å; H473-S511 PolarHBondContact O-OG 2.88Å
474G31.1Very low36.9Very low38 Ų38114 Ų11439%0.39264%0.638SS.*  trans81.3155.3154.600000117.5
475N31.1Very low35.8Very low104 Ų104112.9 Ų112.956%0.55664%0.639SS**  trans-88.6120.2179.1-171.89.7000110.6T477 W591N475-T477 PolarHBondContact O-N 2.78Å; N475-W591 HydrophobicContact CB-CZ3 4.4Å
476V34.8Very low35.3Very low107 Ų107109 Ų10965%0.64865%0.65SS**  trans-88.895.2179.3-178.20000109.9
477T35.8Very low34.6Very low114 Ų114105.4 Ų105.470%0.69963%0.629SS**  trans-91.3116.5177.2490000112N475N475-T477 PolarHBondContact O-N 2.78Å
478T34Very low34.2Very low104 Ų104111.7 Ų111.764%0.63865%0.65SS**  trans-81.1117166.643.80000109.9D480T478-D480 PolarHBondContact O-N 2.83Å
479A32.6Very low34Very low111 Ų111111 Ų11192%0.91764%0.644SS**SBendtrans-79.940.3-177.100000114
480D33.7Very low33.8Very low89 Ų89112.6 Ų112.648%0.47666%0.655SS.*  trans-135.4119.9-176.2-145.6-8000108.1T478 E482 R506T478-D480 PolarHBondContact O-N 2.83Å; D480-E482 PolarHBondContact O-N 2.87Å; D480-R506 IonicContact OD2-CZ 3.72Å; D480-R506 IonicContact OD2-NH2 3.94Å; D480-R506 PolarHBondContact OD2-NH2 2.89Å
481P35.3Very low33.6Very low130 Ų130117.2 Ų117.284%0.84468%0.682SS**THydrogen-bonded Turntrans-79.5-4.6-154.8-19.634.6000118.7
482E36.9Very low33.3Very low193 Ų193117.8 Ų117.890%0.90269%0.691SS**THydrogen-bonded Turntrans-102.5-13-167.1-73-161.9114.500116.6D480D480-E482 PolarHBondContact O-N 2.87Å
483D33.6Very low33.4Very low93 Ų93121.2 Ų121.250%0.49771%0.712SS.*PPolyproline II helixtrans-94.6120.6-179.9-99.8-42.4000112.6A487D483-A487 WeakPolarHBondContact OD1-CB 3.48Å
484R30.1Very low33.1Very low218 Ų218119.7 Ų119.782%0.82372%0.716SS**PPolyproline II helixtrans-79.5150.5171.4-82.8-176.3173.4177.9-2111.5G486 A487R484-G486 PolarHBondContact O-N 3.41Å; R484-G486 VanDerWaalsContact O-N 3.16Å; R484-A487 PolarHBondContact O-N 3.1Å
485P29.9Very low33.3Very low137 Ų137127.6 Ų127.689%0.8974%0.74SS**THydrogen-bonded Turntrans-58.2121.4177.524.4-34.2000111
486G35.9Very low33.1Very low81 Ų81125.7 Ų125.784%0.83575%0.745SS**THydrogen-bonded Turntrans114.8-8.6-17800000115.5R484 R488R484-G486 PolarHBondContact O-N 3.41Å; R484-G486 VanDerWaalsContact O-N 3.16Å; G486-R488 PolarHBondContact O-N 2.88Å
487A29Very low33.3Very low56 Ų56125.8 Ų125.846%0.46376%0.757SS.*  trans-68.4125.7178.100000113D483 R484 A489D483-A487 WeakPolarHBondContact OD1-CB 3.48Å; R484-A487 PolarHBondContact O-N 3.1Å; A487-A489 PolarHBondContact O-N 2.93Å
488R35.8Very low32.9Very low243 Ų243129.5 Ų129.592%0.91777%0.767SS**  trans-8498.3162-74.9-175.3179.61740.8108.6G486 P490G486-R488 PolarHBondContact O-N 2.88Å; R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.29Å
489A30.9Very low33.3Very low70 Ų70136.7 Ų136.758%0.57978%0.782SS**PPolyproline II helixtrans-64.6118.6177.500000111.8A487A487-A489 PolarHBondContact O-N 2.93Å
490P33.7Very low33.1Very low118 Ų118140.1 Ų140.177%0.76678%0.779SS**PPolyproline II helixtrans-83.4134.2172.433.3-30.9000110.5R488R488-P490 VanDerWaalsContact O-CD 3.28Å; R488-P490 WeakPolarHBondContact O-CD 3.29Å
491L32.4Very low33.1Very low167 Ų167139 Ų13987%0.87479%0.788SS**PPolyproline II helixtrans-72134.2168.5-77.2164.5000110S493L491-S493 PolarHBondContact O-N 2.65Å
492P30.9Very low33Very low115 Ų115139.1 Ų139.175%0.74779%0.789SS**PPolyproline II helixtrans-69.7122.7-174.126.6-34.1000112.3S494P492-S494 VanDerWaalsContact C-N 3.34Å; P492-S494 PolarHBondContact O-N 3.46Å; P492-S494 VanDerWaalsContact O-N 3.08Å
493S38.4Very low33.2Very low127 Ų127137.9 Ų137.989%0.88878%0.784SS**  trans-86.258.1-174.252.40000113.9L491L491-S493 PolarHBondContact O-N 2.65Å
494S30.2Very low33.4Very low99 Ų99138.3 Ų138.369%0.69279%0.791SS**  trans-150.895.8173.560.90000113.9P492 G496P492-S494 VanDerWaalsContact C-N 3.34Å; P492-S494 PolarHBondContact O-N 3.46Å; P492-S494 VanDerWaalsContact O-N 3.08Å; S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact O-N 3.47Å
495F34.2Very low34.1Very low203 Ų203139 Ų13989%0.8979%0.794SS**  trans-76.976.5166.1-109-89.7000110.5L530F495-L530 HydrophobicContact CE1-CD2 4.45Å; F495-L530 HydrophobicContact CE2-CD2 4.16Å; F495-L530 HydrophobicContact CZ-CD2 4.06Å
496G26.8Very low34.8Very low64 Ų64141.1 Ų141.166%0.6678%0.784SS**  trans-79.1125.1164.300000110S494 Q498S494-G496 VanDerWaalsContact C-N 3.26Å; S494-G496 PolarHBondContact O-N 3.47Å; G496-Q498 PolarHBondContact O-N 3.49Å
497A39Very low35.2Very low109 Ų109147.4 Ų147.490%0.90178%0.783SS**  trans-80.190.2-171.300000113.2
498Q28.3Very low36Very low193 Ų193150.5 Ų150.590%0.90279%0.791SS**  trans-141.1150.3162.6-117.1164.6-2000111.7G496 E500G496-Q498 PolarHBondContact O-N 3.49Å; Q498-E500 PolarHBondContact O-N 2.81Å
499R42Very low36.4Very low254 Ų254145.4 Ų145.496%0.95878%0.781SS**  trans-82114-177-78.3178.1165.3-170.7-4.2110.2
500E27.4Very low37Very low184 Ų184145.6 Ų145.686%0.8678%0.778SS**  trans-145.7118.5171.1-128.9171.4-162.300112.7Q498Q498-E500 PolarHBondContact O-N 2.81Å
501G33.7Very low37.3Very low65 Ų65143 Ų14367%0.6776%0.763SS**  trans66149.6158.500000119.9Q503G501-Q503 PolarHBondContact O-N 2.88Å
502P33.4Very low37.8Very low133 Ų133136.2 Ų136.286%0.86473%0.733SS**PPolyproline II helixtrans-70.2116.1147.930.5-28.9000108.5
503Q42.3Very low38.2Very low167 Ų167136.4 Ų136.478%0.7873%0.734SS**PPolyproline II helixtrans-51.9147.6175.9-78.7-85-28.200112.1G501 R505G501-Q503 PolarHBondContact O-N 2.88Å; Q503-R505 PolarHBondContact O-N 3.1Å
504P37.7Very low38.2Very low101 Ų101136.8 Ų136.866%0.65673%0.726SS**PPolyproline II helixtrans-59.4122.5-179.824.5-34.1000111R506P504-R506 VanDerWaalsContact C-N 3.32Å; P504-R506 PolarHBondContact O-N 2.86Å
505R43.3Very low38.9Very low232 Ų232137.1 Ų137.188%0.87572%0.72SS**  trans-68.986.3175.7-73.1-179.5168.7-175.5-5.7110Q503 R507Q503-R505 PolarHBondContact O-N 3.1Å; R505-R507 PolarHBondContact O-N 2.94Å; R505-R507 VanDerWaalsContact O-N 3.09Å
506R44.9Very low39.4Very low183 Ų183134.1 Ų134.169%0.69172%0.718SS**  trans-54.8114.8171.9-73.9-169.9163.3-159.6-11.1109.1D480 P504D480-R506 IonicContact OD2-CZ 3.72Å; D480-R506 IonicContact OD2-NH2 3.94Å; D480-R506 PolarHBondContact OD2-NH2 2.89Å; P504-R506 VanDerWaalsContact C-N 3.32Å; P504-R506 PolarHBondContact O-N 2.86Å
507R45.2Very low40.4Very low213 Ų213134.1 Ų134.180%0.80470%0.703SS**  trans-96.2111.2-178.3-172.8-175.2-59.6-173.63.5108.6R505 L509R505-R507 PolarHBondContact O-N 2.94Å; R505-R507 VanDerWaalsContact O-N 3.09Å; R507-L509 HydrophobicContact CG-CD2 4.36Å; R507-L509 HydrophobicContact CG-CG 4.42Å
508L46.5Very low40.5Very low121 Ų121137 Ų13763%0.63470%0.698SS**  trans-87.2141.4167.9-62.2172.9000108.7L517L508-L517 HydrophobicContact CD1-CD2 4.17Å
509L44Very low41.5Very low136 Ų136133.7 Ų133.771%0.71268%0.68SS**  trans-127.7131.3176-66.1169.9000107.1R507R507-L509 HydrophobicContact CG-CD2 4.36Å; R507-L509 HydrophobicContact CG-CG 4.42Å
510S42.6Very low41.5Very low74 Ų74129.9 Ų129.952%0.51767%0.673SS.*  trans-120.9148174.4-1770000109.5G512S510-G512 PolarHBondContact OG-N 3.43Å
511S40.9Very low42.4Very low64 Ų64125.5 Ų125.545%0.44867%0.669SS.*SBendtrans-102.7-10.8173.4590000113.2H473H473-S511 PolarHBondContact O-OG 2.88Å
512G41.3Very low43Very low23 Ų23128 Ų12824%0.23767%0.673CS.*SBendtrans-86.7163.7174.200000113S510S510-G512 PolarHBondContact OG-N 3.43Å
513P40.8Very low43.6Very low120 Ų120128.4 Ų128.478%0.77968%0.676SS**SBendtrans-69.3-34.9178.628.5-33.9000112.7
514D38.3Very low44.2Very low135 Ų135123.1 Ų123.172%0.72267%0.666SS**  trans-107.5152.9-176-68.4-71.9000112.7
515L44.8Very low44.9Very low106 Ų106123.8 Ų123.856%0.55567%0.67SS**  trans-142.799.7-179.6-176.680.4000111.3L517L515-L517 HydrophobicContact CD2-CD1 4.21Å; L515-L517 HydrophobicContact CD2-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CG 4.2Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.3Å
516T43.9Very low45.2Very low139 Ų139118.7 Ų118.785%0.85367%0.668SS**  trans-86.9117177.5-52.10000111.3
517L47.3Very low45.5Very low65 Ų65117 Ų11734%0.3467%0.672SS.*  trans-108.8109.1176.6-64.3176.2000110.8L508 L515 F519 L536L508-L517 HydrophobicContact CD1-CD2 4.17Å; L515-L517 HydrophobicContact CD2-CD1 4.21Å; L515-L517 HydrophobicContact CD2-CD2 4.3Å; L515-L517 HydrophobicContact CD2-CG 4.2Å; L515-L517 HydrophobicContact CG-CD2 4.33Å; L515-L517 HydrophobicContact CG-CG 4.3Å; L517-F519 HydrophobicContact CB-CE2 3.76Å; L517-F519 HydrophobicContact CB-CZ 4.09Å; L517-F519 WeakPolarHBondContact O-CE2 3.45Å; L517-L536 HydrophobicContact CD1-CD1 3.77Å; L517-L536 HydrophobicContact CD1-CD2 4.19Å
518Q42.6Very low45.7Very low170 Ų170113.3 Ų113.379%0.79468%0.676SS**  trans-98.8133.3178.7-165.9177.628.300111.4
519F47.7Very low45.8Very low122 Ų122110.6 Ų110.654%0.53568%0.677SS.*  trans-118.3135.1179.8-59.6-92.3000110.2L517 F534L517-F519 HydrophobicContact CB-CE2 3.76Å; L517-F519 HydrophobicContact CB-CZ 4.09Å; L517-F519 WeakPolarHBondContact O-CE2 3.45Å; F519-F534 AromaticContact CD1-CE1 3.86Å; F519-F534 HydrophobicContact CD1-CE1 3.86Å; F519-F534 AromaticContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD2-CE1 4.4Å; F519-F534 AromaticContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CE1-CD1 4.38Å; F519-F534 AromaticContact CE1-CE1 3.76Å; F519-F534 HydrophobicContact CE1-CE1 3.76Å; F519-F534 AromaticContact CE1-CE2 3.98Å; F519-F534 HydrophobicContact CE1-CE2 3.98Å; F519-F534 AromaticContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE2-CE1 4.33Å; F519-F534 AromaticContact CE2-CE2 3.8Å; F519-F534 HydrophobicContact CE2-CE2 3.8Å; F519-F534 AromaticContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CE2-CZ 3.4Å; F519-F534 VanDerWaalsContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CG-CE1 4.18Å; F519-F534 AromaticContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CZ-CD2 4.3Å; F519-F534 HydrophobicContact CZ-CE1 4.02Å; F519-F534 AromaticContact CZ-CE2 3.45Å; F519-F534 HydrophobicContact CZ-CE2 3.45Å; F519-F534 VanDerWaalsContact CZ-CE2 3.45Å; F519-F534 AromaticContact CZ-CZ 3.29Å; F519-F534 HydrophobicContact CZ-CZ 3.29Å
520Q42.8Very low46Very low174 Ų174109.9 Ų109.981%0.81367%0.673SS**  trans-125.9121.7171.6-73.6-175.3-15.400109.7
521A47.5Very low46.1Very low92 Ų92110.4 Ų110.476%0.7669%0.69SS**  trans-83.6141.9166.900000109.5
522P46.1Very low46.4Very low118 Ų118115.7 Ų115.777%0.76671%0.708SS**  trans-65.4144.117527.9-34.3000110.9G524P522-G524 PolarHBondContact O-N 3.04Å; P522-G524 VanDerWaalsContact O-N 3.14Å
523P45.2Very low46.8Very low142 Ų142118 Ų11892%0.92273%0.731SS**SBendtrans-69.4111.6-179.727.9-33.9000110.9
524G55.4Low47.2Very low56 Ų56118.2 Ų118.258%0.57772%0.72SS**  trans-155.5167.4177.200000111.4P522P522-G524 PolarHBondContact O-N 3.04Å; P522-G524 VanDerWaalsContact O-N 3.14Å
525P52.6Low47.4Very low114 Ų114117.2 Ų117.274%0.7472%0.719SS**  trans-63.2140.9179.227.1-34.3000111N527P525-N527 PolarHBondContact O-N 3.23Å
526P49.4Very low47.7Very low126 Ų126117.1 Ų117.182%0.81872%0.718SS**  trans-70.3106.7-17627.8-34.2000110.8P528P526-P528 VanDerWaalsContact O-CD 3.27Å; P526-P528 WeakPolarHBondContact O-CD 3.33Å
527N51.3Low47.6Very low146 Ų146118.2 Ų118.278%0.78171%0.713SS**  trans-73114.2173.1-85.7-25.7000110.5P525 G529P525-N527 PolarHBondContact O-N 3.23Å; N527-G529 VanDerWaalsContact C-N 3.32Å; N527-G529 PolarHBondContact O-N 3.38Å
528P48.4Very low47.8Very low136 Ų136124.3 Ų124.388%0.88374%0.737SS**THydrogen-bonded Turntrans-79.178.4-178.533.6-34.5000110.6P526P526-P528 VanDerWaalsContact O-CD 3.27Å; P526-P528 WeakPolarHBondContact O-CD 3.33Å
529G49.1Very low47.9Very low64 Ų64124.5 Ų124.566%0.6674%0.736SS**THydrogen-bonded Turntrans-170.3-30.8179.500000117.4N527N527-G529 VanDerWaalsContact C-N 3.32Å; N527-G529 PolarHBondContact O-N 3.38Å
530L47.4Very low47.7Very low122 Ų122127.1 Ų127.164%0.63975%0.749SS**  trans-109.261.3-178.4-93.375.3000112.6F495 Q532F495-L530 HydrophobicContact CE1-CD2 4.45Å; F495-L530 HydrophobicContact CE2-CD2 4.16Å; F495-L530 HydrophobicContact CZ-CD2 4.06Å; L530-Q532 PolarHBondContact O-N 2.02Å
531G45.3Very low48Very low84 Ų84124 Ų12487%0.86674%0.742SS**  trans-78.345.4167.700000113.3
532Q47.8Very low47.8Very low176 Ų176124.7 Ų124.782%0.82274%0.739SS**  trans-94.397.6179.3-67.4-168.2800110.6L530L530-Q532 PolarHBondContact O-N 2.02Å
533G48.9Very low48Very low70 Ų70127.9 Ų127.972%0.72274%0.736SS**  trans-67.7149.816800000111.8
534F49Very low48.5Very low125 Ų125126.6 Ų126.655%0.54872%0.721SS.*  trans-85.2149.5174.550.4-92.5000111F519 L536F519-F534 AromaticContact CD1-CE1 3.86Å; F519-F534 HydrophobicContact CD1-CE1 3.86Å; F519-F534 AromaticContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD1-CZ 3.89Å; F519-F534 HydrophobicContact CD2-CE1 4.4Å; F519-F534 AromaticContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CD2-CZ 3.75Å; F519-F534 HydrophobicContact CE1-CD1 4.38Å; F519-F534 AromaticContact CE1-CE1 3.76Å; F519-F534 HydrophobicContact CE1-CE1 3.76Å; F519-F534 AromaticContact CE1-CE2 3.98Å; F519-F534 HydrophobicContact CE1-CE2 3.98Å; F519-F534 AromaticContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE1-CZ 3.54Å; F519-F534 HydrophobicContact CE2-CE1 4.33Å; F519-F534 AromaticContact CE2-CE2 3.8Å; F519-F534 HydrophobicContact CE2-CE2 3.8Å; F519-F534 AromaticContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CE2-CZ 3.4Å; F519-F534 VanDerWaalsContact CE2-CZ 3.4Å; F519-F534 HydrophobicContact CG-CE1 4.18Å; F519-F534 AromaticContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CG-CZ 3.99Å; F519-F534 HydrophobicContact CZ-CD2 4.3Å; F519-F534 HydrophobicContact CZ-CE1 4.02Å; F519-F534 AromaticContact CZ-CE2 3.45Å; F519-F534 HydrophobicContact CZ-CE2 3.45Å; F519-F534 VanDerWaalsContact CZ-CE2 3.45Å; F519-F534 AromaticContact CZ-CZ 3.29Å; F519-F534 HydrophobicContact CZ-CZ 3.29Å; F534-L536 HydrophobicContact CD2-CD2 4.17Å; F534-L536 HydrophobicContact CD2-CG 4.05Å; F534-L536 HydrophobicContact CE2-CD1 4.28Å; F534-L536 HydrophobicContact CE2-CD2 4.47Å; F534-L536 HydrophobicContact CE2-CG 4.19Å
535V42.8Very low48.7Very low115 Ų115126.3 Ų126.370%0.69771%0.706SS**  trans-107.8117.5175179.40000109
536L50.2Low49.2Very low104 Ų104122.7 Ų122.755%0.54568%0.682SS.*  trans-85.2115.7175.1-64.3174.8000109.8L517 F534L517-L536 HydrophobicContact CD1-CD1 3.77Å; L517-L536 HydrophobicContact CD1-CD2 4.19Å; F534-L536 HydrophobicContact CD2-CD2 4.17Å; F534-L536 HydrophobicContact CD2-CG 4.05Å; F534-L536 HydrophobicContact CE2-CD1 4.28Å; F534-L536 HydrophobicContact CE2-CD2 4.47Å; F534-L536 HydrophobicContact CE2-CG 4.19Å
537H43.2Very low50.3Low161 Ų161116.9 Ų116.975%0.74565%0.645SS**  trans-98.296.6169.8-70.1-76.6000109.5
538F52.1Low51.7Low193 Ų193113.9 Ų113.985%0.84663%0.633SS**  trans-90152.3166.466.3-82.7000110.3
539K43.3Very low53.1Low175 Ų175114.1 Ų114.176%0.76162%0.622SS**  trans-146.3129.6167.6-173.8-164.2167.3-177.80107.1V541K539-V541 PolarHBondContact O-N 3.31Å
540E44.8Very low54.7Low176 Ų176112.3 Ų112.382%0.82260%0.597SS**  trans-62126.8168-170.2173.4-165.300109.6
541V47.4Very low56.4Low108 Ų108110.5 Ų110.566%0.65559%0.593SS**  trans-108.1122.6174.5-177.90000106K539 R543K539-V541 PolarHBondContact O-N 3.31Å; V541-R543 PolarHBondContact O-N 2.94Å
542P43.5Very low58.3Low108 Ų108109.9 Ų109.970%0.70157%0.574SS**  trans-58.7138.8177.625.7-34.1000109.4N544P542-N544 PolarHBondContact O-N 3.04Å
543R50.7Low60.3Low185 Ų185102.3 Ų102.370%0.69854%0.539SS*.  trans-64.7108.9-176.8-65.9-168.5177.1-155-4110.5V541 D545V541-R543 PolarHBondContact O-N 2.94Å; R543-D545 WeakPolarHBondContact CB-OD2 3.07Å; R543-D545 WeakPolarHBondContact CD-OD2 3.02Å; R543-D545 IonicContact NH1-OD2 3.94Å; R543-D545 PolarHBondContact O-N 3.35Å; R543-D545 VanDerWaalsContact O-N 3.08Å
544N56.4Low62Low114 Ų114106.7 Ų106.761%0.6154%0.541SS*.  trans-81.671.4162.2-165.796.7000108.4P542 T546 L593P542-N544 PolarHBondContact O-N 3.04Å; N544-T546 PolarHBondContact ND2-O 3.41Å; N544-T546 VanDerWaalsContact ND2-O 3.08Å; N544-T546 PolarHBondContact ND2-OG1 2.9Å; N544-T546 PolarHBondContact O-N 3.11Å; N544-T546 PolarHBondContact OD1-OG1 3.49Å; N544-L593 WeakPolarHBondContact O-CD1 3.46Å
545D59.9Low63.8Low50 Ų50107.5 Ų107.527%0.26754%0.541SS..  trans-73.715178-80-39.7000113R543 I566 R567 L593R543-D545 WeakPolarHBondContact CB-OD2 3.07Å; R543-D545 WeakPolarHBondContact CD-OD2 3.02Å; R543-D545 IonicContact NH1-OD2 3.94Å; R543-D545 PolarHBondContact O-N 3.35Å; R543-D545 VanDerWaalsContact O-N 3.08Å; D545-I566 WeakPolarHBondContact O-CA 3.07Å; D545-R567 PolarHBondContact O-N 3.45Å; D545-R567 IonicContact OD1-CZ 3.2Å; D545-R567 IonicContact OD1-NH1 3.61Å; D545-R567 PolarHBondContact OD1-NH1 2.81Å; D545-L593 WeakPolarHBondContact O-CD2 3.33Å
546T61.8Low65.8Low39 Ų39102.7 Ų102.724%0.23952%0.515CS..BIsolated β-bridgetrans-99.5139.2177.152.10000112.9N544 D564 L565 I566N544-T546 PolarHBondContact ND2-O 3.41Å; N544-T546 VanDerWaalsContact ND2-O 3.08Å; N544-T546 PolarHBondContact ND2-OG1 2.9Å; N544-T546 PolarHBondContact O-N 3.11Å; N544-T546 PolarHBondContact OD1-OG1 3.49Å; T546-D564 HydrophobicContact CG2-CB 4.49Å; T546-L565 CarbonylContact C-O 3.47Å; T546-L565 VanDerWaalsContact CA-O 3.24Å; T546-L565 WeakPolarHBondContact CA-O 3.24Å; T546-I566 HydrophobicContact CG2-CG2 3.77Å
547C73.8Confident67.5Low4 Ų4102.9 Ų102.93%0.02751%0.508CS..PPolyproline II helixtrans-64.7156.6164.5-81.20000111.6L565 C589 L593 S594 W595C547-L565 PolarHBondContact N-O 2.94Å; C547-C589 HydrophobicContact CB-CB 3.86Å; C547-C589 WeakPolarHBondContact CB-SG 3.47Å; C547-C589 WeakPolarHBondContact SG-CA 3.45Å; C547-C589 WeakPolarHBondContact SG-CB 3.42Å; C547-C589 CovalentContact SG-SG 2.02Å; C547-C589 PolarHBondContact SG-SG 3.38Å; C547-L593 PolarHBondContact SG-O 3.26Å; C547-L593 VanDerWaalsContact SG-O 3.38Å; C547-S594 PolarHBondContact SG-O 2.83Å; C547-W595 HydrophobicContact CB-CD2 4.39Å; C547-W595 HydrophobicContact CB-CH2 4.33Å; C547-W595 HydrophobicContact CB-CZ2 3.56Å
548P80Confident69.7Low82 Ų8298.2 Ų98.253%0.53248%0.484SS..PPolyproline II helixtrans-62.1140.3176.226.8-35000111.2L550 L593 W595P548-L550 PolarHBondContact O-N 2.97Å; P548-L593 VanDerWaalsContact CD-O 3.24Å; P548-L593 WeakPolarHBondContact CD-O 3.45Å; P548-W595 PolarHBondContact O-NE1 2.87Å
549E78.3Confident71.3Confident142 Ų14292.3 Ų92.366%0.66446%0.464SS*.PPolyproline II helixtrans-69.4119.7179.2-179161.6-137.600111.8R558 L565E549-R558 IonicContact OE1-CZ 3.84Å; E549-R558 IonicContact OE1-NH1 2.68Å; E549-R558 IonicContact OE1-NH2 3.56Å; E549-R558 PolarHBondContact OE1-NH2 3.41Å; E549-L565 HydrophobicContact CB-CD1 3.86Å; E549-L565 HydrophobicContact CG-CD1 4.01Å
550L82.8Confident72.8Confident26 Ų2686.3 Ų86.314%0.13645%0.447CS..PPolyproline II helixtrans-89.7139.1170.6-61.7179.3000110.1P548 R558 L571 Y573 L587 W595 P599P548-L550 PolarHBondContact O-N 2.97Å; L550-R558 WeakPolarHBondContact O-CD 3.3Å; L550-R558 PolarHBondContact O-NE 3.5Å; L550-R558 PolarHBondContact O-NH1 3.08Å; L550-R558 VanDerWaalsContact O-NH1 3.11Å; L550-L571 HydrophobicContact CB-CD1 4.44Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å; L550-Y573 VanDerWaalsContact CB-OH 3.24Å; L550-Y573 WeakPolarHBondContact CB-OH 3.34Å; L550-L587 HydrophobicContact CD1-CD2 3.46Å; L550-L587 VanDerWaalsContact CD1-CD2 3.46Å; L550-W595 HydrophobicContact CD1-CB 4.29Å; L550-W595 HydrophobicContact CD1-CD2 3.95Å; L550-W595 HydrophobicContact CD1-CG 3.66Å; L550-W595 HydrophobicContact CG-CG 4.29Å; L550-P599 HydrophobicContact CD1-CB 4.29Å; L550-P599 HydrophobicContact CD2-CG 4.28Å
551P83.3Confident73.6Confident84 Ų8481.1 Ų81.155%0.54543%0.43SS..PPolyproline II helixtrans-67.5161.4173.930.4-35.7000111.8Y573P551-Y573 PolarHBondContact O-OH 2.84Å
552P85.3Confident74.2Confident71 Ų7181 Ų8146%0.46142%0.422SS..PPolyproline II helixtrans-63157158.131.4-35000110.2R558P552-R558 HydrophobicContact CB-CG 4.33Å
553P87.9Confident75.1Confident16 Ų1679.9 Ų79.910%0.10443%0.431CS..PPolyproline II helixtrans-75.2154.2175.434.5-32.6000110.2W555 G556 Y573P553-W555 PolarHBondContact O-N 3.26Å; P553-G556 PolarHBondContact O-N 3.02Å; P553-Y573 HydrophobicContact CG-CD1 4Å
554E86.1Confident75.5Confident163 Ų16376.7 Ų76.776%0.76243%0.427SS*.THydrogen-bonded Turntrans-63.2135.7166.9-64.7-169.3168.100109.4G556 C602E554-G556 VanDerWaalsContact C-N 3.34Å; E554-G556 PolarHBondContact O-N 2.78Å; E554-C602 WeakPolarHBondContact O-CB 3.39Å
555W85.5Confident76.1Confident141 Ų14172.2 Ų72.253%0.53440%0.404SS..THydrogen-bonded Turntrans5940.7-175.2-4496000113.7P553 E576 Y579P553-W555 PolarHBondContact O-N 3.26Å; W555-E576 WeakPolarHBondContact O-CB 3.29Å; W555-E576 PolarHBondContact O-N 3.07Å; W555-Y579 HydrophobicContact CB-CD1 3.84Å; W555-Y579 HydrophobicContact CB-CD2 3.91Å; W555-Y579 HydrophobicContact CB-CE1 3.66Å; W555-Y579 HydrophobicContact CB-CE2 3.71Å; W555-Y579 HydrophobicContact CB-CG 3.99Å; W555-Y579 AromaticContact CD1-CE1 3.8Å; W555-Y579 HydrophobicContact CD2-CE1 4.36Å; W555-Y579 HydrophobicContact CD2-CE2 4.29Å; W555-Y579 AromaticContact CD2-CZ 3.78Å; W555-Y579 HydrophobicContact CE3-CE2 4.36Å; W555-Y579 HydrophobicContact CG-CD1 4.29Å; W555-Y579 AromaticContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE2 4.02Å; W555-Y579 AromaticContact CG-CZ 3.47Å; W555-Y579 VanDerWaalsContact CG-CZ 3.47Å
556G86.3Confident76.5Confident15 Ų1573.2 Ų73.216%0.15541%0.408CS..EExtended strand (participates in β ladder)trans-169.5-173.2171.500000112.6P553 E554 Q574P553-G556 PolarHBondContact O-N 3.02Å; E554-G556 VanDerWaalsContact C-N 3.34Å; E554-G556 PolarHBondContact O-N 2.78Å; G556-Q574 CarbonylContact C-O 3.53Å; G556-Q574 WeakPolarHBondContact CA-O 3.42Å
557W85.6Confident76.8Confident107 Ų10776.8 Ų76.841%0.40542%0.417SS..EExtended strand (participates in β ladder)trans-135.1163177.861.392.7000111.2Q574 E576W557-Q574 HydrophobicContact CD2-CB 4.22Å; W557-Q574 HydrophobicContact CH2-CB 4.34Å; W557-Q574 HydrophobicContact CZ2-CB 3.65Å; W557-Q574 VanDerWaalsContact CZ2-OE1 3.32Å; W557-Q574 PolarHBondContact N-O 3.08Å; W557-Q574 PolarHBondContact O-N 3.33Å; W557-E576 HydrophobicContact CZ3-CG 4.18Å
558R88.1Confident76.2Confident63 Ų6378.9 Ų78.924%0.23844%0.439CS..EExtended strand (participates in β ladder)trans-116.3143.8165.567.6178179.5132.13.5109.2E549 L550 P552 T572 Y573E549-R558 IonicContact OE1-CZ 3.84Å; E549-R558 IonicContact OE1-NH1 2.68Å; E549-R558 IonicContact OE1-NH2 3.56Å; E549-R558 PolarHBondContact OE1-NH2 3.41Å; L550-R558 WeakPolarHBondContact O-CD 3.3Å; L550-R558 PolarHBondContact O-NE 3.5Å; L550-R558 PolarHBondContact O-NH1 3.08Å; L550-R558 VanDerWaalsContact O-NH1 3.11Å; P552-R558 HydrophobicContact CB-CG 4.33Å; R558-T572 CarbonylContact C-O 3.56Å; R558-T572 VanDerWaalsContact CA-O 3.27Å; R558-T572 WeakPolarHBondContact CA-O 3.5Å; R558-Y573 HydrophobicContact CB-CD1 4.18Å; R558-Y573 HydrophobicContact CB-CD2 4.44Å; R558-Y573 HydrophobicContact CB-CE1 3.97Å; R558-Y573 HydrophobicContact CB-CE2 4.23Å; R558-Y573 HydrophobicContact CB-CG 4.39Å
559T85.7Confident75.4Confident70 Ų7075 Ų7543%0.42941%0.414SS..EExtended strand (participates in β ladder)trans-112.5150.3163.954.20000109.3L571 T572T559-L571 CarbonylContact O-C 3.57Å; T559-L571 WeakPolarHBondContact O-CA 3.37Å; T559-T572 PolarHBondContact N-O 3.29Å; T559-T572 PolarHBondContact O-N 3.33Å
560A76.2Confident75.5Confident49 Ų4970.3 Ų70.341%0.40540%0.395SS..EExtended strand (participates in β ladder)trans-116.8138.2176.400000109.7H562 L565 T569 L571A560-H562 VanDerWaalsContact CB-O 3.24Å; A560-H562 WeakPolarHBondContact CB-O 3.17Å; A560-H562 PolarHBondContact O-N 2.81Å; A560-L565 HydrophobicContact CB-CD2 4.42Å; A560-T569 HydrophobicContact CB-CG2 4.49Å; A560-L571 HydrophobicContact CB-CD2 3.67Å
561S61.6Low75.4Confident67 Ų6769 Ų6947%0.46939%0.388SS..SBendtrans-65-23.6173.2490000113.5V570S561-V570 PolarHBondContact N-O 3.25Å; S561-V570 PolarHBondContact OG-N 3.13Å; S561-V570 PolarHBondContact OG-O 2.92Å
562H59.4Low75.5Confident104 Ų10467 Ų6748%0.48138%0.375SS..SBendtrans-137.9150.7177.9-62.182.5000109.6A560 D564 T569A560-H562 VanDerWaalsContact CB-O 3.24Å; A560-H562 WeakPolarHBondContact CB-O 3.17Å; A560-H562 PolarHBondContact O-N 2.81Å; H562-D564 VanDerWaalsContact C-N 3.33Å; H562-D564 PolarHBondContact O-N 3.14Å; H562-T569 HydrophobicContact CB-CG2 4.25Å
563G62.1Low75.6Confident86 Ų8663.8 Ų63.889%0.88735%0.353SS*.SBendtrans-65.5-35178.800000113.3
564D60.1Low75.5Confident117 Ų11767.5 Ų67.563%0.62637%0.369SS*.SBendtrans-94.9139.7171.4-62.9-62.6000110.9T546 H562 I566 T569T546-D564 HydrophobicContact CG2-CB 4.49Å; H562-D564 VanDerWaalsContact C-N 3.33Å; H562-D564 PolarHBondContact O-N 3.14Å; D564-I566 HydrophobicContact CB-CG2 4.02Å; D564-I566 PolarHBondContact O-N 3.41Å; D564-T569 PolarHBondContact O-OG1 2.9Å; D564-T569 VanDerWaalsContact O-OG1 3.04Å
565L69.1Low75.7Confident21 Ų2160.8 Ų60.811%0.1134%0.34CS..  trans-80.444-176.9-57.9179.5000112.8T546 C547 E549 A560 T569 L571 W595T546-L565 CarbonylContact C-O 3.47Å; T546-L565 VanDerWaalsContact CA-O 3.24Å; T546-L565 WeakPolarHBondContact CA-O 3.24Å; C547-L565 PolarHBondContact N-O 2.94Å; E549-L565 HydrophobicContact CB-CD1 3.86Å; E549-L565 HydrophobicContact CG-CD1 4.01Å; A560-L565 HydrophobicContact CB-CD2 4.42Å; L565-T569 HydrophobicContact CD2-CG2 4.24Å; L565-L571 HydrophobicContact CD2-CD2 4.03Å; L565-W595 HydrophobicContact CB-CZ2 4.31Å; L565-W595 HydrophobicContact CD1-CZ2 4.42Å; L565-W595 HydrophobicContact CD2-CH2 4.37Å; L565-W595 HydrophobicContact CD2-CZ2 4.48Å
566I67.9Low75.7Confident71 Ų7157.8 Ų57.836%0.36433%0.332SS..BIsolated β-bridgetrans-69167.6-177.458.3172.7000113.6D545 T546 D564 G568 T569 C589D545-I566 WeakPolarHBondContact O-CA 3.07Å; T546-I566 HydrophobicContact CG2-CG2 3.77Å; D564-I566 HydrophobicContact CB-CG2 4.02Å; D564-I566 PolarHBondContact O-N 3.41Å; I566-G568 PolarHBondContact O-N 2.72Å; I566-T569 WeakPolarHBondContact CG1-OG1 3.16Å; I566-T569 PolarHBondContact N-OG1 3.02Å; I566-T569 WeakPolarHBondContact O-CB 3.4Å; I566-T569 PolarHBondContact O-N 2.71Å; I566-T569 PolarHBondContact O-OG1 2.83Å; I566-T569 VanDerWaalsContact O-OG1 3.11Å; I566-C589 VanDerWaalsContact C-SG 3.58Å; I566-C589 WeakPolarHBondContact O-CB 3.24Å; I566-C589 PolarHBondContact O-SG 3.45Å
567R67Low75.4Confident114 Ų11462 Ų6243%0.4336%0.356SS..THydrogen-bonded Turntrans-48133.1170.8-70.6-172176.994.24.9111.6D545 T569 W591 L593D545-R567 PolarHBondContact O-N 3.45Å; D545-R567 IonicContact OD1-CZ 3.2Å; D545-R567 IonicContact OD1-NH1 3.61Å; D545-R567 PolarHBondContact OD1-NH1 2.81Å; R567-T569 PolarHBondContact O-N 3.34Å; R567-W591 PolarHBondContact NE-O 3.44Å; R567-W591 PolarHBondContact NH2-O 3.05Å; R567-L593 HydrophobicContact CG-CD2 3.58Å
568G62.5Low74.9Confident47 Ų4757.1 Ų57.149%0.48534%0.339SS..THydrogen-bonded Turntrans80.6-10-17600000114.6I566 V570 C589I566-G568 PolarHBondContact O-N 2.72Å; G568-V570 PolarHBondContact O-N 3.37Å; G568-V570 VanDerWaalsContact O-N 3.1Å; G568-C589 PolarHBondContact N-O 3.09Å
569T63.4Low74.7Confident0 Ų056.5 Ų56.50%034%0.337CS..PPolyproline II helixtrans-62.2117.3170.7-660000109.4A560 H562 D564 L565 I566 R567 C589 W595A560-T569 HydrophobicContact CB-CG2 4.49Å; H562-T569 HydrophobicContact CB-CG2 4.25Å; D564-T569 PolarHBondContact O-OG1 2.9Å; D564-T569 VanDerWaalsContact O-OG1 3.04Å; L565-T569 HydrophobicContact CD2-CG2 4.24Å; I566-T569 WeakPolarHBondContact CG1-OG1 3.16Å; I566-T569 PolarHBondContact N-OG1 3.02Å; I566-T569 WeakPolarHBondContact O-CB 3.4Å; I566-T569 PolarHBondContact O-N 2.71Å; I566-T569 PolarHBondContact O-OG1 2.83Å; I566-T569 VanDerWaalsContact O-OG1 3.11Å; R567-T569 PolarHBondContact O-N 3.34Å; T569-C589 WeakPolarHBondContact O-CB 3.28Å; T569-C589 PolarHBondContact O-N 3.34Å; T569-W595 WeakPolarHBondContact O-CZ3 3.49Å
570V80.4Confident74.6Confident44 Ų4456.9 Ų56.927%0.26733%0.334SS..EExtended strand (participates in β ladder)trans-85.5132.7169-177.80000109.2S561 G568 I586 L587 T588S561-V570 PolarHBondContact N-O 3.25Å; S561-V570 PolarHBondContact OG-N 3.13Å; S561-V570 PolarHBondContact OG-O 2.92Å; G568-V570 PolarHBondContact O-N 3.37Å; G568-V570 VanDerWaalsContact O-N 3.1Å; V570-I586 HydrophobicContact CG1-CG2 3.5Å; V570-L587 CarbonylContact C-O 3.58Å; V570-L587 WeakPolarHBondContact CA-O 3.35Å; V570-T588 HydrophobicContact CG2-CG2 4.28Å
571L80.8Confident75Confident0 Ų056.9 Ų56.90%033%0.327CS..EExtended strand (participates in β ladder)trans-101132.1162.4-71.3175.8000109.2L550 T559 A560 L565 Y573 L587 W595L550-L571 HydrophobicContact CB-CD1 4.44Å; L550-L571 HydrophobicContact CD1-CD1 4.34Å; T559-L571 CarbonylContact O-C 3.57Å; T559-L571 WeakPolarHBondContact O-CA 3.37Å; A560-L571 HydrophobicContact CB-CD2 3.67Å; L565-L571 HydrophobicContact CD2-CD2 4.03Å; L571-Y573 HydrophobicContact CB-CD2 4.35Å; L571-Y573 HydrophobicContact CB-CE2 3.9Å; L571-Y573 HydrophobicContact CD1-CE2 4.13Å; L571-L587 HydrophobicContact CB-CB 4.36Å; L571-L587 PolarHBondContact N-O 3.19Å; L571-L587 PolarHBondContact O-N 3.1Å; L571-W595 HydrophobicContact CB-CZ3 4.22Å; L571-W595 HydrophobicContact CD1-CD2 4.44Å; L571-W595 HydrophobicContact CD1-CE3 4.22Å; L571-W595 HydrophobicContact CD1-CH2 3.42Å; L571-W595 VanDerWaalsContact CD1-CH2 3.42Å; L571-W595 HydrophobicContact CD1-CZ2 3.64Å; L571-W595 HydrophobicContact CD1-CZ3 3.71Å; L571-W595 HydrophobicContact CG-CH2 3.54Å; L571-W595 HydrophobicContact CG-CZ2 4.26Å; L571-W595 HydrophobicContact CG-CZ3 3.7Å
572T84.6Confident76.2Confident42 Ų4257.6 Ų57.626%0.25833%0.325SS..EExtended strand (participates in β ladder)trans-109.4130.6169.4-530000108.9R558 T559 D585R558-T572 CarbonylContact C-O 3.56Å; R558-T572 VanDerWaalsContact CA-O 3.27Å; R558-T572 WeakPolarHBondContact CA-O 3.5Å; T559-T572 PolarHBondContact N-O 3.29Å; T559-T572 PolarHBondContact O-N 3.33Å; T572-D585 CarbonylContact C-O 3.58Å; T572-D585 WeakPolarHBondContact CA-O 3.32Å
573Y86.8Confident77.2Confident3 Ų355.6 Ų55.61%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-105.9136.5179.7-80.5-101.7000110.3L550 P551 P553 R558 L571 L581 D585 L587 P599 P600L550-Y573 VanDerWaalsContact CB-OH 3.24Å; L550-Y573 WeakPolarHBondContact CB-OH 3.34Å; P551-Y573 PolarHBondContact O-OH 2.84Å; P553-Y573 HydrophobicContact CG-CD1 4Å; R558-Y573 HydrophobicContact CB-CD1 4.18Å; R558-Y573 HydrophobicContact CB-CD2 4.44Å; R558-Y573 HydrophobicContact CB-CE1 3.97Å; R558-Y573 HydrophobicContact CB-CE2 4.23Å; R558-Y573 HydrophobicContact CB-CG 4.39Å; L571-Y573 HydrophobicContact CB-CD2 4.35Å; L571-Y573 HydrophobicContact CB-CE2 3.9Å; L571-Y573 HydrophobicContact CD1-CE2 4.13Å; Y573-L581 WeakPolarHBondContact O-CD1 3.44Å; Y573-D585 PolarHBondContact N-O 3.27Å; Y573-L587 HydrophobicContact CD2-CD1 4.27Å; Y573-L587 HydrophobicContact CE2-CD1 4.44Å; Y573-L587 HydrophobicContact CE2-CD2 4.22Å; Y573-P599 HydrophobicContact CE1-CB 4.39Å; Y573-P600 HydrophobicContact CD1-CG 3.67Å; Y573-P600 HydrophobicContact CD2-CG 4.25Å; Y573-P600 HydrophobicContact CE1-CG 4.49Å; Y573-P600 HydrophobicContact CG-CG 3.55Å
574Q87.2Confident77.9Confident93 Ų9353.9 Ų53.944%0.43531%0.308SS..EExtended strand (participates in β ladder)trans-140.9144.1179.2-71.2178.1-16.900110.1G556 W557G556-Q574 CarbonylContact C-O 3.53Å; G556-Q574 WeakPolarHBondContact CA-O 3.42Å; W557-Q574 HydrophobicContact CD2-CB 4.22Å; W557-Q574 HydrophobicContact CH2-CB 4.34Å; W557-Q574 HydrophobicContact CZ2-CB 3.65Å; W557-Q574 VanDerWaalsContact CZ2-OE1 3.32Å; W557-Q574 PolarHBondContact N-O 3.08Å; W557-Q574 PolarHBondContact O-N 3.33Å
575C88.8Confident78.9Confident22 Ų2252.7 Ų52.715%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-102.9155.8-178.2-60.10000112C602C575-C602 VanDerWaalsContact CA-SG 3.5Å; C575-C602 HydrophobicContact CB-CB 3.75Å; C575-C602 WeakPolarHBondContact CB-SG 3.27Å; C575-C602 VanDerWaalsContact SG-CA 3.53Å; C575-C602 WeakPolarHBondContact SG-CB 3.49Å; C575-C602 CovalentContact SG-SG 2.04Å; C575-C602 PolarHBondContact SG-SG 2.96Å
576E86.3Confident79.5Confident79 Ų7955.6 Ų55.637%0.36932%0.316SS..  trans-65.8153.3176.8-75.1-178.7-174.700112.7W555 W557 G578 Y579W555-E576 WeakPolarHBondContact O-CB 3.29Å; W555-E576 PolarHBondContact O-N 3.07Å; W557-E576 HydrophobicContact CZ3-CG 4.18Å; E576-G578 PolarHBondContact O-N 2.89Å; E576-Y579 HydrophobicContact CB-CD2 4.09Å; E576-Y579 PolarHBondContact O-N 3.5Å
577P80.6Confident80Confident102 Ų10252.2 Ų52.266%0.66230%0.299SS*.THydrogen-bonded Turntrans-54.8111.8178.4-26.835.7000112.9
578G73.6Confident80.5Confident5 Ų549.1 Ų49.15%0.05229%0.292CS..THydrogen-bonded Turntrans112.2-1.2-173.600000114.6E576 I605E576-G578 PolarHBondContact O-N 2.89Å; G578-I605 WeakPolarHBondContact O-CB 3.29Å; G578-I605 PolarHBondContact O-N 3.33Å
579Y84.6Confident81.2Confident50 Ų5047 Ų4720%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-118.8146.1173.7-64.2-101.1000111.2W555 E576 C602 Q603 K604W555-Y579 HydrophobicContact CB-CD1 3.84Å; W555-Y579 HydrophobicContact CB-CD2 3.91Å; W555-Y579 HydrophobicContact CB-CE1 3.66Å; W555-Y579 HydrophobicContact CB-CE2 3.71Å; W555-Y579 HydrophobicContact CB-CG 3.99Å; W555-Y579 AromaticContact CD1-CE1 3.8Å; W555-Y579 HydrophobicContact CD2-CE1 4.36Å; W555-Y579 HydrophobicContact CD2-CE2 4.29Å; W555-Y579 AromaticContact CD2-CZ 3.78Å; W555-Y579 HydrophobicContact CE3-CE2 4.36Å; W555-Y579 HydrophobicContact CG-CD1 4.29Å; W555-Y579 AromaticContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE1 3.63Å; W555-Y579 HydrophobicContact CG-CE2 4.02Å; W555-Y579 AromaticContact CG-CZ 3.47Å; W555-Y579 VanDerWaalsContact CG-CZ 3.47Å; E576-Y579 HydrophobicContact CB-CD2 4.09Å; E576-Y579 PolarHBondContact O-N 3.5Å; Y579-C602 HydrophobicContact CD1-CB 4.44Å; Y579-Q603 CarbonylContact C-O 3.48Å; Y579-Q603 WeakPolarHBondContact CA-O 3.45Å; Y579-K604 VanDerWaalsContact CD1-CA 3.48Å; Y579-K604 HydrophobicContact CD1-CB 3.9Å; Y579-K604 HydrophobicContact CE1-CB 3.65Å; Y579-K604 HydrophobicContact CE1-CG 4.27Å
580E83.1Confident81.4Confident78 Ų7850.6 Ų50.636%0.36429%0.287SS..EExtended strand (participates in β ladder)trans-107.1146.8174.358.5-175.3-172.700110.5C602 Q603 I605E580-C602 CarbonylContact O-C 3.57Å; E580-C602 WeakPolarHBondContact O-CA 3.42Å; E580-Q603 HydrophobicContact CG-CB 4.34Å; E580-Q603 PolarHBondContact N-O 2.93Å; E580-Q603 PolarHBondContact O-N 2.95Å; E580-I605 HydrophobicContact CB-CD1 4Å; E580-I605 HydrophobicContact CB-CG1 3.69Å; E580-I605 HydrophobicContact CG-CG1 3.86Å
581L85.9Confident80.1Confident49 Ų4957 Ų5726%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-90.4119.7-177-170.4149.7000110.4Y573 D585 P600Y573-L581 WeakPolarHBondContact O-CD1 3.44Å; L581-D585 HydrophobicContact CD1-CB 4.24Å; L581-D585 HydrophobicContact CD2-CB 4.15Å; L581-P600 HydrophobicContact CD1-CB 4.37Å; L581-P600 HydrophobicContact CD1-CG 4.07Å; L581-P600 HydrophobicContact CD2-CB 3.56Å; L581-P600 HydrophobicContact CD2-CG 4.03Å; L581-P600 HydrophobicContact CG-CB 3.83Å; L581-P600 HydrophobicContact CG-CG 4.09Å
582L85.6Confident79.3Confident82 Ų8261 Ų6143%0.42933%0.328SS..EExtended strand (participates in β ladder)trans-107.7103.1177.2-59.7-176.7000110.1P600 A601 Q603L582-P600 WeakPolarHBondContact O-CA 3.46Å; L582-P600 WeakPolarHBondContact O-CB 3.35Å; L582-A601 PolarHBondContact N-O 3.5Å; L582-A601 PolarHBondContact O-N 3.16Å; L582-Q603 HydrophobicContact CD1-CB 3.65Å; L582-Q603 HydrophobicContact CD1-CG 4.41Å; L582-Q603 HydrophobicContact CG-CB 4.21Å
583G81.1Confident78.4Confident62 Ų6261.1 Ų61.164%0.63933%0.327SS*.SBendtrans139-158.2-177.700000111
584S77.4Confident78Confident51 Ų5162.8 Ų62.836%0.35734%0.339SS..  trans-81.8128.8168.7-61.50000109.8I586 L587 P600S584-I586 VanDerWaalsContact C-N 3.31Å; S584-L587 WeakPolarHBondContact O-CD1 3.32Å; S584-P600 VanDerWaalsContact O-CG 3.29Å; S584-P600 WeakPolarHBondContact O-CG 2.92Å
585D79.6Confident77.6Confident91 Ų9159.6 Ų59.649%0.48732%0.323SS..SBendtrans-71.4-27.417162.5-31.2000112.3T572 Y573 L581T572-D585 CarbonylContact C-O 3.58Å; T572-D585 WeakPolarHBondContact CA-O 3.32Å; Y573-D585 PolarHBondContact N-O 3.27Å; L581-D585 HydrophobicContact CD1-CB 4.24Å; L581-D585 HydrophobicContact CD2-CB 4.15Å
586I81.6Confident76.8Confident83 Ų8361.2 Ų61.243%0.42634%0.335SS..EExtended strand (participates in β ladder)trans-117.9123.1179.4-60.6177.5000110.2V570 S584V570-I586 HydrophobicContact CG1-CG2 3.5Å; S584-I586 VanDerWaalsContact C-N 3.31Å
587L79.8Confident76.3Confident0 Ų059 Ų590%033%0.329CS..EExtended strand (participates in β ladder)trans-118.4129.7174.8-87.870.4000109.7L550 V570 L571 Y573 S584 W595 A597L550-L587 HydrophobicContact CD1-CD2 3.46Å; L550-L587 VanDerWaalsContact CD1-CD2 3.46Å; V570-L587 CarbonylContact C-O 3.58Å; V570-L587 WeakPolarHBondContact CA-O 3.35Å; L571-L587 HydrophobicContact CB-CB 4.36Å; L571-L587 PolarHBondContact N-O 3.19Å; L571-L587 PolarHBondContact O-N 3.1Å; Y573-L587 HydrophobicContact CD2-CD1 4.27Å; Y573-L587 HydrophobicContact CE2-CD1 4.44Å; Y573-L587 HydrophobicContact CE2-CD2 4.22Å; S584-L587 WeakPolarHBondContact O-CD1 3.32Å; L587-W595 HydrophobicContact CB-CE3 3.96Å; L587-W595 HydrophobicContact CD2-CB 4.29Å; L587-A597 HydrophobicContact CD1-CB 4.31Å; L587-A597 WeakPolarHBondContact CD2-O 3.26Å; L587-A597 HydrophobicContact CG-CB 4.21Å
588T76.4Confident76.4Confident49 Ų4957.8 Ų57.830%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-112.5134.1-179.4-54.40000110.9V570 Q590 W595 S596V570-T588 HydrophobicContact CG2-CG2 4.28Å; T588-Q590 PolarHBondContact O-N 3.41Å; T588-W595 VanDerWaalsContact C-CE3 3.45Å; T588-S596 PolarHBondContact N-OG 2.04Å; T588-S596 PolarHBondContact O-N 2.8Å
589C77.9Confident76.9Confident3 Ų360.4 Ų60.42%0.0234%0.344CS..BIsolated β-bridgetrans-71.5109.8171.6178.80000109.9C547 I566 G568 T569 W595C547-C589 HydrophobicContact CB-CB 3.86Å; C547-C589 WeakPolarHBondContact CB-SG 3.47Å; C547-C589 WeakPolarHBondContact SG-CA 3.45Å; C547-C589 WeakPolarHBondContact SG-CB 3.42Å; C547-C589 CovalentContact SG-SG 2.02Å; C547-C589 PolarHBondContact SG-SG 3.38Å; I566-C589 VanDerWaalsContact C-SG 3.58Å; I566-C589 WeakPolarHBondContact O-CB 3.24Å; I566-C589 PolarHBondContact O-SG 3.45Å; G568-C589 PolarHBondContact N-O 3.09Å; T569-C589 WeakPolarHBondContact O-CB 3.28Å; T569-C589 PolarHBondContact O-N 3.34Å; C589-W595 HydrophobicContact CB-CE3 4.22Å; C589-W595 HydrophobicContact CB-CH2 3.87Å; C589-W595 HydrophobicContact CB-CZ2 4.41Å; C589-W595 HydrophobicContact CB-CZ3 3.79Å; C589-W595 VanDerWaalsContact N-CZ3 3.31Å
590Q66.6Low77Confident74 Ų7458.4 Ų58.435%0.34634%0.337SS..  trans-80.8170.7-172.7-60.8-170.3107.400112.5T588 D592 L593 S594T588-Q590 PolarHBondContact O-N 3.41Å; Q590-D592 VanDerWaalsContact CB-OD1 3.29Å; Q590-D592 WeakPolarHBondContact CB-OD1 3.35Å; Q590-D592 PolarHBondContact O-N 2.92Å; Q590-L593 PolarHBondContact O-N 2.88Å; Q590-S594 WeakPolarHBondContact CB-O 3.42Å; Q590-S594 PolarHBondContact N-O 2.81Å; Q590-S594 PolarHBondContact NE2-OG 3.34Å
591W54.6Low77.3Confident180 Ų18057.6 Ų57.668%0.68234%0.344SS*.THydrogen-bonded Turntrans-62.2-26.3-17862.4-89.6000113.7N475 R567 L593N475-W591 HydrophobicContact CB-CZ3 4.4Å; R567-W591 PolarHBondContact NE-O 3.44Å; R567-W591 PolarHBondContact NH2-O 3.05Å; W591-L593 VanDerWaalsContact C-N 3.3Å
592D63.2Low77.5Confident84 Ų8456.1 Ų56.145%0.44934%0.338SS..THydrogen-bonded Turntrans-84.42.3176.571.5-19.6000114Q590 S594Q590-D592 VanDerWaalsContact CB-OD1 3.29Å; Q590-D592 WeakPolarHBondContact CB-OD1 3.35Å; Q590-D592 PolarHBondContact O-N 2.92Å; D592-S594 VanDerWaalsContact C-N 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.44Å; D592-S594 PolarHBondContact OD1-N 2.92Å; D592-S594 PolarHBondContact OD1-OG 2.97Å; D592-S594 PolarHBondContact OD2-OG 3.16Å
593L66.6Low77.5Confident44 Ų4457.5 Ų57.523%0.2334%0.342CS..SBendtrans6622.6-173.2-53172.7000114.4N544 D545 C547 P548 R567 Q590 W591N544-L593 WeakPolarHBondContact O-CD1 3.46Å; D545-L593 WeakPolarHBondContact O-CD2 3.33Å; C547-L593 PolarHBondContact SG-O 3.26Å; C547-L593 VanDerWaalsContact SG-O 3.38Å; P548-L593 VanDerWaalsContact CD-O 3.24Å; P548-L593 WeakPolarHBondContact CD-O 3.45Å; R567-L593 HydrophobicContact CG-CD2 3.58Å; Q590-L593 PolarHBondContact O-N 2.88Å; W591-L593 VanDerWaalsContact C-N 3.3Å
594S76.8Confident77.6Confident38 Ų3858.2 Ų58.227%0.26633%0.327SS..  trans-95.3166.816576.40000112.1C547 Q590 D592C547-S594 PolarHBondContact SG-O 2.83Å; Q590-S594 WeakPolarHBondContact CB-O 3.42Å; Q590-S594 PolarHBondContact N-O 2.81Å; Q590-S594 PolarHBondContact NE2-OG 3.34Å; D592-S594 VanDerWaalsContact C-N 3.28Å; D592-S594 WeakPolarHBondContact OD1-CB 3.44Å; D592-S594 PolarHBondContact OD1-N 2.92Å; D592-S594 PolarHBondContact OD1-OG 2.97Å; D592-S594 PolarHBondContact OD2-OG 3.16Å
595W80.4Confident77.9Confident25 Ų2557.2 Ų57.210%0.09532%0.318CS..BIsolated β-bridgetrans-91.9143.6168.7-66.7100000110.7C547 P548 L550 L565 T569 L571 L587 T588 C589 A597C547-W595 HydrophobicContact CB-CD2 4.39Å; C547-W595 HydrophobicContact CB-CH2 4.33Å; C547-W595 HydrophobicContact CB-CZ2 3.56Å; P548-W595 PolarHBondContact O-NE1 2.87Å; L550-W595 HydrophobicContact CD1-CB 4.29Å; L550-W595 HydrophobicContact CD1-CD2 3.95Å; L550-W595 HydrophobicContact CD1-CG 3.66Å; L550-W595 HydrophobicContact CG-CG 4.29Å; L565-W595 HydrophobicContact CB-CZ2 4.31Å; L565-W595 HydrophobicContact CD1-CZ2 4.42Å; L565-W595 HydrophobicContact CD2-CH2 4.37Å; L565-W595 HydrophobicContact CD2-CZ2 4.48Å; T569-W595 WeakPolarHBondContact O-CZ3 3.49Å; L571-W595 HydrophobicContact CB-CZ3 4.22Å; L571-W595 HydrophobicContact CD1-CD2 4.44Å; L571-W595 HydrophobicContact CD1-CE3 4.22Å; L571-W595 HydrophobicContact CD1-CH2 3.42Å; L571-W595 VanDerWaalsContact CD1-CH2 3.42Å; L571-W595 HydrophobicContact CD1-CZ2 3.64Å; L571-W595 HydrophobicContact CD1-CZ3 3.71Å; L571-W595 HydrophobicContact CG-CH2 3.54Å; L571-W595 HydrophobicContact CG-CZ2 4.26Å; L571-W595 HydrophobicContact CG-CZ3 3.7Å; L587-W595 HydrophobicContact CB-CE3 3.96Å; L587-W595 HydrophobicContact CD2-CB 4.29Å; T588-W595 VanDerWaalsContact C-CE3 3.45Å; C589-W595 HydrophobicContact CB-CE3 4.22Å; C589-W595 HydrophobicContact CB-CH2 3.87Å; C589-W595 HydrophobicContact CB-CZ2 4.41Å; C589-W595 HydrophobicContact CB-CZ3 3.79Å; C589-W595 VanDerWaalsContact N-CZ3 3.31Å; W595-A597 WeakPolarHBondContact CB-O 3.49Å; W595-A597 PolarHBondContact O-N 2.79Å; W595-A597 VanDerWaalsContact O-N 3.11Å
596S71Confident77.9Confident57 Ų5757.6 Ų57.640%0.39932%0.318SS..SBendtrans-59.3-20.9179.958.50000114.9T588T588-S596 PolarHBondContact N-OG 2.04Å; T588-S596 PolarHBondContact O-N 2.8Å
597A75.2Confident78.1Confident31 Ų3156.3 Ų56.326%0.25631%0.314SS..SBendtrans-148.9169.8175.200000110.7L587 W595L587-A597 HydrophobicContact CD1-CB 4.31Å; L587-A597 WeakPolarHBondContact CD2-O 3.26Å; L587-A597 HydrophobicContact CG-CB 4.21Å; W595-A597 WeakPolarHBondContact CB-O 3.49Å; W595-A597 PolarHBondContact O-N 2.79Å; W595-A597 VanDerWaalsContact O-N 3.11Å
598A83Confident78.4Confident77 Ų7756.6 Ų56.664%0.63632%0.316SS*.PPolyproline II helixtrans-71.7150.7165.800000110.6
599P83.9Confident78.9Confident60 Ų6058.2 Ų58.239%0.3933%0.334SS..PPolyproline II helixtrans-59.5136.6176.924.3-33.9000111L550 Y573L550-P599 HydrophobicContact CD1-CB 4.29Å; L550-P599 HydrophobicContact CD2-CG 4.28Å; Y573-P599 HydrophobicContact CE1-CB 4.39Å
600P87.4Confident79.3Confident9 Ų962 Ų626%0.05835%0.354CS..PPolyproline II helixtrans-74.1161-179.333.4-38.6000112.1Y573 L581 L582 S584Y573-P600 HydrophobicContact CD1-CG 3.67Å; Y573-P600 HydrophobicContact CD2-CG 4.25Å; Y573-P600 HydrophobicContact CE1-CG 4.49Å; Y573-P600 HydrophobicContact CG-CG 3.55Å; L581-P600 HydrophobicContact CD1-CB 4.37Å; L581-P600 HydrophobicContact CD1-CG 4.07Å; L581-P600 HydrophobicContact CD2-CB 3.56Å; L581-P600 HydrophobicContact CD2-CG 4.03Å; L581-P600 HydrophobicContact CG-CB 3.83Å; L581-P600 HydrophobicContact CG-CG 4.09Å; L582-P600 WeakPolarHBondContact O-CA 3.46Å; L582-P600 WeakPolarHBondContact O-CB 3.35Å; S584-P600 VanDerWaalsContact O-CG 3.29Å; S584-P600 WeakPolarHBondContact O-CG 2.92Å
601A89.3Confident80.2Confident61 Ų6159.2 Ų59.250%0.50434%0.342SS..EExtended strand (participates in β ladder)trans-109.2140.7173.600000111.1L582L582-A601 PolarHBondContact N-O 3.5Å; L582-A601 PolarHBondContact O-N 3.16Å
602C89.4Confident81.7Confident18 Ų1851.9 Ų51.912%0.12232%0.322CS..EExtended strand (participates in β ladder)trans-91.3111.9172.9-64.60000109.9E554 C575 Y579 E580E554-C602 WeakPolarHBondContact O-CB 3.39Å; C575-C602 VanDerWaalsContact CA-SG 3.5Å; C575-C602 HydrophobicContact CB-CB 3.75Å; C575-C602 WeakPolarHBondContact CB-SG 3.27Å; C575-C602 VanDerWaalsContact SG-CA 3.53Å; C575-C602 WeakPolarHBondContact SG-CB 3.49Å; C575-C602 CovalentContact SG-SG 2.04Å; C575-C602 PolarHBondContact SG-SG 2.96Å; Y579-C602 HydrophobicContact CD1-CB 4.44Å; E580-C602 CarbonylContact O-C 3.57Å; E580-C602 WeakPolarHBondContact O-CA 3.42Å
603Q85.7Confident82.8Confident110 Ų11055 Ų5551%0.51433%0.334SS..EExtended strand (participates in β ladder)trans-97.3139.2176.1-179.3167.4-52.700110.4Y579 E580 L582 I605Y579-Q603 CarbonylContact C-O 3.48Å; Y579-Q603 WeakPolarHBondContact CA-O 3.45Å; E580-Q603 HydrophobicContact CG-CB 4.34Å; E580-Q603 PolarHBondContact N-O 2.93Å; E580-Q603 PolarHBondContact O-N 2.95Å; L582-Q603 HydrophobicContact CD1-CB 3.65Å; L582-Q603 HydrophobicContact CD1-CG 4.41Å; L582-Q603 HydrophobicContact CG-CB 4.21Å; Q603-I605 PolarHBondContact O-N 3.32Å
604K83Confident83.8Confident77 Ų7753.8 Ų53.834%0.33533%0.328SS..EExtended strand (participates in β ladder)trans-65.8126.5177.6-173.8166-178.2164.80110.5Y579 M606Y579-K604 VanDerWaalsContact CD1-CA 3.48Å; Y579-K604 HydrophobicContact CD1-CB 3.9Å; Y579-K604 HydrophobicContact CE1-CB 3.65Å; Y579-K604 HydrophobicContact CE1-CG 4.27Å; K604-M606 HydrophobicContact CD-SD 3.98Å; K604-M606 HydrophobicContact CG-CG 4.42Å; K604-M606 HydrophobicContact CG-SD 3.96Å; K604-M606 PolarHBondContact O-N 3.07Å
605I83.6Confident84.2Confident31 Ų3155.8 Ų55.816%0.15935%0.346CS..  trans-70.6112.4175.2-61.1164.1000107.8G578 E580 Q603 T607 T657 P658G578-I605 WeakPolarHBondContact O-CB 3.29Å; G578-I605 PolarHBondContact O-N 3.33Å; E580-I605 HydrophobicContact CB-CD1 4Å; E580-I605 HydrophobicContact CB-CG1 3.69Å; E580-I605 HydrophobicContact CG-CG1 3.86Å; Q603-I605 PolarHBondContact O-N 3.32Å; I605-T607 WeakPolarHBondContact CG2-O 3.02Å; I605-T657 HydrophobicContact CD1-CG2 3.87Å; I605-P658 HydrophobicContact CG2-CG 4.29Å; I605-P658 VanDerWaalsContact O-CD 3.28Å; I605-P658 WeakPolarHBondContact O-CD 3.39Å; I605-P658 WeakPolarHBondContact O-CG 3.44Å
606M80.6Confident84.5Confident98 Ų9858 Ų5848%0.48336%0.36SS..  trans-110.913.6-179.8-66.2-61.6-6200112.5K604 P627 V628K604-M606 HydrophobicContact CD-SD 3.98Å; K604-M606 HydrophobicContact CG-CG 4.42Å; K604-M606 HydrophobicContact CG-SD 3.96Å; K604-M606 PolarHBondContact O-N 3.07Å; M606-P627 CarbonylContact O-C 3.57Å; M606-P627 WeakPolarHBondContact O-CA 3.42Å; M606-V628 PolarHBondContact O-N 2.81Å
607T85.8Confident85.3Confident57 Ų5756.3 Ų56.335%0.3535%0.352SS..BIsolated β-bridgetrans-126.2152.7-178.150.60000110.8I605 G625 F626 P658I605-T607 WeakPolarHBondContact CG2-O 3.02Å; T607-G625 WeakPolarHBondContact CB-O 3.46Å; T607-G625 WeakPolarHBondContact CG2-O 3.28Å; T607-F626 CarbonylContact C-O 3.45Å; T607-F626 WeakPolarHBondContact CA-O 3.48Å; T607-P658 WeakPolarHBondContact O-CB 3.39Å; T607-P658 WeakPolarHBondContact O-CG 3.04Å
608C86.4Confident86Confident6 Ų658.7 Ų58.74%0.04136%0.357CS..PPolyproline II helixtrans-92.9147.5167.6-69.90000110.4F626 C650 K659 W660C608-F626 PolarHBondContact N-O 2.76Å; C608-C650 HydrophobicContact CB-CB 3.86Å; C608-C650 WeakPolarHBondContact CB-SG 3.49Å; C608-C650 PolarHBondContact N-SG 2.84Å; C608-C650 WeakPolarHBondContact SG-CA 3.32Å; C608-C650 WeakPolarHBondContact SG-CB 3.4Å; C608-C650 CovalentContact SG-SG 2.03Å; C608-C650 PolarHBondContact SG-SG 2.74Å; C608-K659 VanDerWaalsContact SG-C 3.5Å; C608-W660 HydrophobicContact CB-CD2 4.19Å; C608-W660 VanDerWaalsContact CB-CE2 3.49Å; C608-W660 HydrophobicContact CB-CH2 4.35Å; C608-W660 HydrophobicContact CB-CZ2 3.59Å
609A85.7Confident86.3Confident82 Ų8258.4 Ų58.468%0.67834%0.34SS*.PPolyproline II helixtrans-59.8149.3170.100000111.2P611 W660A609-P611 WeakPolarHBondContact O-CD 3.43Å; A609-W660 PolarHBondContact O-NE1 3.37Å
610D87.7Confident86.7Confident84 Ų8458.7 Ų58.745%0.44934%0.341SS..PPolyproline II helixtrans-58.3119.4179.8-172.8-12.3000110.6G612 R619 F626D610-G612 PolarHBondContact O-N 3Å; D610-G612 PolarHBondContact OD1-N 2.98Å; D610-R619 VanDerWaalsContact CG-NH1 3.34Å; D610-R619 IonicContact OD1-CZ 3.53Å; D610-R619 IonicContact OD1-NH1 3.13Å; D610-R619 PolarHBondContact OD1-NH1 2.7Å; D610-R619 IonicContact OD1-NH2 2.62Å; D610-R619 IonicContact OD2-CZ 3.52Å; D610-R619 IonicContact OD2-NH1 2.89Å; D610-R619 PolarHBondContact OD2-NH1 2.75Å; D610-R619 IonicContact OD2-NH2 2.95Å; D610-R619 PolarHBondContact OD2-NH2 3.48Å; D610-R619 VanDerWaalsContact OD2-NH2 3.13Å; D610-F626 HydrophobicContact CB-CD2 4.33Å; D610-F626 HydrophobicContact CB-CE2 3.61Å; D610-F626 HydrophobicContact CB-CZ 4.28Å
611P84.8Confident86.7Confident15 Ų1560.9 Ų60.910%0.09736%0.359CS..  trans-72.7-1.7177.431-34.8000113.7A609 V632 Y634 L648 W660 V664A609-P611 WeakPolarHBondContact O-CD 3.43Å; P611-V632 HydrophobicContact CG-CB 4.31Å; P611-V632 HydrophobicContact CG-CG1 4.25Å; P611-V632 HydrophobicContact CG-CG2 4.04Å; P611-Y634 WeakPolarHBondContact CB-OH 3.41Å; P611-Y634 WeakPolarHBondContact CG-OH 3.38Å; P611-Y634 PolarHBondContact O-OH 2.98Å; P611-L648 HydrophobicContact CB-CD1 4.08Å; P611-W660 HydrophobicContact CG-CD2 4.43Å; P611-W660 HydrophobicContact CG-CZ2 3.87Å; P611-V664 HydrophobicContact CB-CG2 4.1Å; P611-V664 VanDerWaalsContact O-CG2 3.28Å; P611-V664 WeakPolarHBondContact O-CG2 3.3Å
612G85.5Confident86.6Confident25 Ų2560.2 Ų60.226%0.25835%0.351SS..  trans76-171.217200000114.8D610 R619 Y634D610-G612 PolarHBondContact O-N 3Å; D610-G612 PolarHBondContact OD1-N 2.98Å; G612-R619 VanDerWaalsContact C-NH1 3.35Å; G612-R619 WeakPolarHBondContact O-CD 3.24Å; G612-R619 PolarHBondContact O-NH1 3.32Å; G612-R619 VanDerWaalsContact O-NH1 3.12Å; G612-Y634 PolarHBondContact O-OH 2.91Å
613E86.6Confident86.4Confident149 Ų14963.1 Ų63.170%0.69637%0.366SS*.  trans-108.4154.1-179.6-71.8-175.4-173.500111.7R619E613-R619 VanDerWaalsContact CG-CD 3.44Å; E613-R619 HydrophobicContact CG-CG 3.95Å; E613-R619 IonicContact OE1-CZ 2.65Å; E613-R619 IonicContact OE1-NE 3.46Å; E613-R619 PolarHBondContact OE1-NE 3.46Å; E613-R619 IonicContact OE1-NH2 3.25Å
614I88.3Confident85.9Confident20 Ų2063 Ų6310%0.10338%0.384CS..  trans-113.1134.5-176.365.9175.2000110.6G617 Y634 V664 P665 C667I614-G617 PolarHBondContact O-N 2.88Å; I614-Y634 HydrophobicContact CB-CD1 4.47Å; I614-Y634 HydrophobicContact CD1-CD1 3.59Å; I614-Y634 HydrophobicContact CD1-CG 4.03Å; I614-Y634 HydrophobicContact CG1-CD1 3.83Å; I614-Y634 HydrophobicContact CG1-CE1 4.37Å; I614-Y634 HydrophobicContact CG2-CD1 3.85Å; I614-Y634 HydrophobicContact CG2-CE1 3.73Å; I614-V664 HydrophobicContact CG2-CG1 3.57Å; I614-P665 WeakPolarHBondContact CG2-O 3.11Å; I614-C667 VanDerWaalsContact CD1-SG 3.55Å
615A85.4Confident85.4Confident79 Ų7961.6 Ų61.665%0.65339%0.391SS*.THydrogen-bonded Turntrans-60.9138.9173.600000110.4G617 C667A615-G617 VanDerWaalsContact C-N 3.25Å; A615-G617 PolarHBondContact O-N 3.42Å; A615-C667 WeakPolarHBondContact O-CB 3.32Å
616N86.1Confident85.6Confident71 Ų7161.4 Ų61.438%0.3839%0.389SS..THydrogen-bonded Turntrans59.228.7-178.6-47.3-51000114.9L637 Y640 C667N616-L637 WeakPolarHBondContact O-CG 3.47Å; N616-L637 PolarHBondContact O-N 3.43Å; N616-Y640 HydrophobicContact CB-CD1 3.61Å; N616-Y640 HydrophobicContact CB-CD2 4.13Å; N616-Y640 HydrophobicContact CB-CE1 3.5Å; N616-Y640 VanDerWaalsContact CB-CE1 3.5Å; N616-Y640 HydrophobicContact CB-CE2 4.06Å; N616-Y640 HydrophobicContact CB-CG 3.93Å; N616-Y640 VanDerWaalsContact CG-CE1 3.43Å; N616-Y640 VanDerWaalsContact ND2-CE1 3.31Å; N616-Y640 WeakPolarHBondContact ND2-CE1 3.21Å; N616-C667 HydrophobicContact CB-CB 4.15Å
617G87.9Confident86Confident22 Ų2259.2 Ų59.223%0.22738%0.382CS..EExtended strand (participates in β ladder)trans-149.9-178.6171.700000112.9I614 A615 R635I614-G617 PolarHBondContact O-N 2.88Å; A615-G617 VanDerWaalsContact C-N 3.25Å; A615-G617 PolarHBondContact O-N 3.42Å; G617-R635 CarbonylContact C-O 3.57Å; G617-R635 WeakPolarHBondContact CA-O 3.39Å
618H89Confident86Confident81 Ų8159.1 Ų59.138%0.37538%0.381SS..EExtended strand (participates in β ladder)trans-120.5156.3171.377.646.4000110.8Y634 R635H618-Y634 WeakPolarHBondContact O-CA 3.13Å; H618-R635 PolarHBondContact N-O 3.2Å; H618-R635 PolarHBondContact O-N 2.85Å; H618-R635 VanDerWaalsContact O-N 3.09Å
619R90.1Very high85.9Confident71 Ų7161.5 Ų61.527%0.26841%0.406SS..EExtended strand (participates in β ladder)trans-112.1147.8167.968.9176.4176.91682.9111.8D610 G612 E613 V632 Q633 Y634D610-R619 VanDerWaalsContact CG-NH1 3.34Å; D610-R619 IonicContact OD1-CZ 3.53Å; D610-R619 IonicContact OD1-NH1 3.13Å; D610-R619 PolarHBondContact OD1-NH1 2.7Å; D610-R619 IonicContact OD1-NH2 2.62Å; D610-R619 IonicContact OD2-CZ 3.52Å; D610-R619 IonicContact OD2-NH1 2.89Å; D610-R619 PolarHBondContact OD2-NH1 2.75Å; D610-R619 IonicContact OD2-NH2 2.95Å; D610-R619 PolarHBondContact OD2-NH2 3.48Å; D610-R619 VanDerWaalsContact OD2-NH2 3.13Å; G612-R619 VanDerWaalsContact C-NH1 3.35Å; G612-R619 WeakPolarHBondContact O-CD 3.24Å; G612-R619 PolarHBondContact O-NH1 3.32Å; G612-R619 VanDerWaalsContact O-NH1 3.12Å; E613-R619 VanDerWaalsContact CG-CD 3.44Å; E613-R619 HydrophobicContact CG-CG 3.95Å; E613-R619 IonicContact OE1-CZ 2.65Å; E613-R619 IonicContact OE1-NE 3.46Å; E613-R619 PolarHBondContact OE1-NE 3.46Å; E613-R619 IonicContact OE1-NH2 3.25Å; R619-V632 HydrophobicContact CB-CG1 4.42Å; R619-Q633 CarbonylContact C-O 3.56Å; R619-Q633 WeakPolarHBondContact CA-O 3.12Å; R619-Y634 HydrophobicContact CB-CD1 3.88Å; R619-Y634 HydrophobicContact CB-CE1 3.63Å
620T91.4Very high86.1Confident67 Ų6757.6 Ų57.641%0.41137%0.374SS..EExtended strand (participates in β ladder)trans-137.4111.9169.950.10000108.5Q633T620-Q633 PolarHBondContact N-O 3.43Å; T620-Q633 PolarHBondContact O-N 3.03Å; T620-Q633 PolarHBondContact OG1-O 3.08Å
621A88.9Confident86.2Confident54 Ų5457.8 Ų57.845%0.44637%0.372SS..EExtended strand (participates in β ladder)trans-93151.5176.900000111.2F626 V632A621-F626 HydrophobicContact CB-CE1 3.85Å; A621-V632 HydrophobicContact CB-CG2 3.99Å
622S86.9Confident86.6Confident47 Ų4757.1 Ų57.133%0.32937%0.368SS..SBendtrans-74.6-41.6175610000113.1S630 H631S622-S630 WeakPolarHBondContact OG-CA 3.48Å; S622-H631 WeakPolarHBondContact CB-CE1 3.24Å; S622-H631 PolarHBondContact N-O 3.06Å; S622-H631 PolarHBondContact OG-N 3.42Å; S622-H631 PolarHBondContact OG-ND1 3.35Å; S622-H631 PolarHBondContact OG-O 2.7Å
623D86Confident86.9Confident80 Ų8058.9 Ų58.943%0.42837%0.369SS..SBendtrans-137.8143.6-167.3-58.7-87.9000111.3P627D623-P627 HydrophobicContact CB-CG 4.36Å
624A73.4Confident87.2Confident108 Ų10851.9 Ų51.989%0.89334%0.337SS*.THydrogen-bonded Turntrans-75.9129.6174.200000110.6
625G73.7Confident87.4Confident47 Ų4757.3 Ų57.349%0.48536%0.356SS..THydrogen-bonded Turntrans864-179.400000115.4T607 P627T607-G625 WeakPolarHBondContact CB-O 3.46Å; T607-G625 WeakPolarHBondContact CG2-O 3.28Å; G625-P627 VanDerWaalsContact C-CD 3.47Å
626F88.1Confident87.6Confident26 Ų2655 Ų5511%0.11434%0.335CS..  trans50.247.6169.4-45.3-73000117.1T607 C608 D610 A621 S630 V632 W660T607-F626 CarbonylContact C-O 3.45Å; T607-F626 WeakPolarHBondContact CA-O 3.48Å; C608-F626 PolarHBondContact N-O 2.76Å; D610-F626 HydrophobicContact CB-CD2 4.33Å; D610-F626 HydrophobicContact CB-CE2 3.61Å; D610-F626 HydrophobicContact CB-CZ 4.28Å; A621-F626 HydrophobicContact CB-CE1 3.85Å; F626-S630 VanDerWaalsContact C-OG 3.28Å; F626-S630 WeakPolarHBondContact CA-OG 3.41Å; F626-V632 HydrophobicContact CD1-CG2 3.85Å; F626-V632 HydrophobicContact CE1-CG2 3.66Å; F626-W660 HydrophobicContact CB-CH2 4Å; F626-W660 HydrophobicContact CB-CZ2 3.82Å; F626-W660 AromaticContact CD1-CH2 3.79Å; F626-W660 HydrophobicContact CD1-CH2 3.79Å; F626-W660 AromaticContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CG-CH2 4.18Å; F626-W660 AromaticContact CG-CZ2 3.89Å; F626-W660 HydrophobicContact CG-CZ2 3.89Å
627P87.3Confident87.7Confident53 Ų5355.8 Ų55.834%0.34434%0.338SS..BIsolated β-bridgetrans-56.9156.7171.725.7-35.5000113.3M606 D623 G625 G629 S630M606-P627 CarbonylContact O-C 3.57Å; M606-P627 WeakPolarHBondContact O-CA 3.42Å; D623-P627 HydrophobicContact CB-CG 4.36Å; G625-P627 VanDerWaalsContact C-CD 3.47Å; P627-G629 PolarHBondContact O-N 3.46Å; P627-S630 WeakPolarHBondContact CD-OG 3.41Å; P627-S630 WeakPolarHBondContact CG-OG 3.45Å; P627-S630 VanDerWaalsContact N-OG 3.13Å; P627-S630 WeakPolarHBondContact O-CB 3.44Å; P627-S630 PolarHBondContact O-N 3.28Å; P627-S630 PolarHBondContact O-OG 3.16Å
628V86.3Confident87.4Confident55 Ų5560.9 Ų60.933%0.33337%0.367SS..THydrogen-bonded Turntrans-51.2126.9173.3168.90000110.6M606 P658M606-V628 PolarHBondContact O-N 2.81Å; V628-P658 HydrophobicContact CG2-CB 3.82Å; V628-P658 HydrophobicContact CG2-CG 3.82Å
629G84.8Confident86.6Confident55 Ų5559.2 Ų59.257%0.56737%0.372SS*.THydrogen-bonded Turntrans102.1-18.3-169.300000114.5P627 C650P627-G629 PolarHBondContact O-N 3.46Å; G629-C650 PolarHBondContact N-O 3.1Å
630S89.1Confident86.2Confident1 Ų159.1 Ų59.11%0.00737%0.372CS..  trans-61.4152.1175.7-60.50000112.1S622 F626 P627 T649 C650S622-S630 WeakPolarHBondContact OG-CA 3.48Å; F626-S630 VanDerWaalsContact C-OG 3.28Å; F626-S630 WeakPolarHBondContact CA-OG 3.41Å; P627-S630 WeakPolarHBondContact CD-OG 3.41Å; P627-S630 WeakPolarHBondContact CG-OG 3.45Å; P627-S630 VanDerWaalsContact N-OG 3.13Å; P627-S630 WeakPolarHBondContact O-CB 3.44Å; P627-S630 PolarHBondContact O-N 3.28Å; P627-S630 PolarHBondContact O-OG 3.16Å; S630-T649 WeakPolarHBondContact O-CA 3.49Å; S630-C650 PolarHBondContact O-N 3.43Å
631H91.6Very high85.7Confident88 Ų8858.1 Ų58.141%0.40737%0.368SS..EExtended strand (participates in β ladder)trans-137.1135.5178.858.2-84.4000112.3S622 M647 L648 T649S622-H631 WeakPolarHBondContact CB-CE1 3.24Å; S622-H631 PolarHBondContact N-O 3.06Å; S622-H631 PolarHBondContact OG-N 3.42Å; S622-H631 PolarHBondContact OG-ND1 3.35Å; S622-H631 PolarHBondContact OG-O 2.7Å; H631-M647 HydrophobicContact CB-CE 3.61Å; H631-M647 HydrophobicContact CB-SD 4.13Å; H631-L648 CarbonylContact C-O 3.54Å; H631-L648 WeakPolarHBondContact CA-O 3.4Å; H631-T649 HydrophobicContact CB-CG2 4.03Å
632V92Very high85.5Confident0 Ų058 Ų580%036%0.359CS..EExtended strand (participates in β ladder)trans-118.7113.1-177.9-176.30000109.3P611 R619 A621 F626 Y634 M647 L648 W660P611-V632 HydrophobicContact CG-CB 4.31Å; P611-V632 HydrophobicContact CG-CG1 4.25Å; P611-V632 HydrophobicContact CG-CG2 4.04Å; R619-V632 HydrophobicContact CB-CG1 4.42Å; A621-V632 HydrophobicContact CB-CG2 3.99Å; F626-V632 HydrophobicContact CD1-CG2 3.85Å; F626-V632 HydrophobicContact CE1-CG2 3.66Å; V632-Y634 HydrophobicContact CB-CE2 4.38Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.47Å; V632-Y634 HydrophobicContact CG1-CE2 3.72Å; V632-M647 WeakPolarHBondContact O-CE 3.04Å; V632-L648 PolarHBondContact N-O 3.09Å; V632-L648 PolarHBondContact O-N 2.86Å; V632-W660 HydrophobicContact CG2-CH2 3.56Å; V632-W660 HydrophobicContact CG2-CZ2 4.2Å; V632-W660 HydrophobicContact CG2-CZ3 3.92Å
633Q92.8Very high85.5Confident63 Ų6361.2 Ų61.229%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-97.1134-179.8-174.9169.4105.100110.6R619 T620 R635 A646 M647R619-Q633 CarbonylContact C-O 3.56Å; R619-Q633 WeakPolarHBondContact CA-O 3.12Å; T620-Q633 PolarHBondContact N-O 3.43Å; T620-Q633 PolarHBondContact O-N 3.03Å; T620-Q633 PolarHBondContact OG1-O 3.08Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.28Å; Q633-A646 WeakPolarHBondContact CA-O 3.35Å; Q633-A646 WeakPolarHBondContact CG-O 3.02Å; Q633-M647 HydrophobicContact CB-CE 3.63Å; Q633-M647 HydrophobicContact CB-SD 4.43Å; Q633-M647 VanDerWaalsContact N-CE 3.29Å
634Y92.6Very high85.5Confident2 Ų260.3 Ų60.31%0.00838%0.379CS..EExtended strand (participates in β ladder)trans-111.8141.2177.7-69.5-79.6000110.2P611 G612 I614 H618 R619 V632 L642 A646 L648 P665P611-Y634 WeakPolarHBondContact CB-OH 3.41Å; P611-Y634 WeakPolarHBondContact CG-OH 3.38Å; P611-Y634 PolarHBondContact O-OH 2.98Å; G612-Y634 PolarHBondContact O-OH 2.91Å; I614-Y634 HydrophobicContact CB-CD1 4.47Å; I614-Y634 HydrophobicContact CD1-CD1 3.59Å; I614-Y634 HydrophobicContact CD1-CG 4.03Å; I614-Y634 HydrophobicContact CG1-CD1 3.83Å; I614-Y634 HydrophobicContact CG1-CE1 4.37Å; I614-Y634 HydrophobicContact CG2-CD1 3.85Å; I614-Y634 HydrophobicContact CG2-CE1 3.73Å; H618-Y634 WeakPolarHBondContact O-CA 3.13Å; R619-Y634 HydrophobicContact CB-CD1 3.88Å; R619-Y634 HydrophobicContact CB-CE1 3.63Å; V632-Y634 HydrophobicContact CB-CE2 4.38Å; V632-Y634 HydrophobicContact CG1-CD2 4.4Å; V632-Y634 HydrophobicContact CG1-CE1 4.47Å; V632-Y634 HydrophobicContact CG1-CE2 3.72Å; Y634-L642 WeakPolarHBondContact O-CD1 3.18Å; Y634-A646 PolarHBondContact N-O 2.86Å; Y634-L648 HydrophobicContact CE2-CD1 3.89Å; Y634-L648 HydrophobicContact CE2-CG 4.12Å; Y634-P665 HydrophobicContact CD2-CG 3.69Å; Y634-P665 HydrophobicContact CE2-CG 4.45Å; Y634-P665 HydrophobicContact CG-CG 3.75Å
635R91.3Very high86.2Confident134 Ų13456.2 Ų56.251%0.50635%0.345SS..EExtended strand (participates in β ladder)trans-139.9136.6172.7-54.8-174.6-168.4159-0.3109.3G617 H618 Q633G617-R635 CarbonylContact C-O 3.57Å; G617-R635 WeakPolarHBondContact CA-O 3.39Å; H618-R635 PolarHBondContact N-O 3.2Å; H618-R635 PolarHBondContact O-N 2.85Å; H618-R635 VanDerWaalsContact O-N 3.09Å; Q633-R635 VanDerWaalsContact OE1-CZ 3.28Å
636C90.2Very high86.8Confident31 Ų3156.3 Ų56.321%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-81.2156.6177.7-59.50000112.3L642 C667C636-L642 VanDerWaalsContact SG-CA 3.52Å; C636-L642 VanDerWaalsContact SG-CB 3.56Å; C636-C667 WeakPolarHBondContact CA-SG 3.45Å; C636-C667 HydrophobicContact CB-CB 3.78Å; C636-C667 WeakPolarHBondContact CB-SG 3.4Å; C636-C667 WeakPolarHBondContact SG-CA 3.42Å; C636-C667 WeakPolarHBondContact SG-CB 3.4Å; C636-C667 CovalentContact SG-SG 2.03Å; C636-C667 PolarHBondContact SG-SG 3.06Å
637L87.6Confident87Confident87 Ų8758 Ų5846%0.45535%0.35SS..PPolyproline II helixtrans-67.9157.6171.5-65.2178.1000110.9N616 G639 Y640N616-L637 WeakPolarHBondContact O-CG 3.47Å; N616-L637 PolarHBondContact O-N 3.43Å; L637-G639 PolarHBondContact O-N 3.47Å; L637-Y640 HydrophobicContact CB-CD2 4.36Å; L637-Y640 WeakPolarHBondContact O-CB 3.29Å; L637-Y640 PolarHBondContact O-N 3.43Å
638P83.3Confident87.2Confident129 Ų12955.5 Ų55.584%0.83833%0.334SS*.THydrogen-bonded Turntrans-52.6135.1175.7-26.635.6000112.4
639G71.8Confident87.5Confident45 Ų4555.9 Ų55.946%0.46434%0.336SS..THydrogen-bonded Turntrans92-11.3-173.600000114.8L637 K670L637-G639 PolarHBondContact O-N 3.47Å; G639-K670 PolarHBondContact O-N 3.08Å
640Y81.4Confident87.7Confident70 Ų7053.4 Ų53.428%0.27531%0.31SS..EExtended strand (participates in β ladder)trans-112.5143.5178.5-64.2-103.7000111.7N616 L637 C667 A668 L669N616-Y640 HydrophobicContact CB-CD1 3.61Å; N616-Y640 HydrophobicContact CB-CD2 4.13Å; N616-Y640 HydrophobicContact CB-CE1 3.5Å; N616-Y640 VanDerWaalsContact CB-CE1 3.5Å; N616-Y640 HydrophobicContact CB-CE2 4.06Å; N616-Y640 HydrophobicContact CB-CG 3.93Å; N616-Y640 VanDerWaalsContact CG-CE1 3.43Å; N616-Y640 VanDerWaalsContact ND2-CE1 3.31Å; N616-Y640 WeakPolarHBondContact ND2-CE1 3.21Å; L637-Y640 HydrophobicContact CB-CD2 4.36Å; L637-Y640 WeakPolarHBondContact O-CB 3.29Å; L637-Y640 PolarHBondContact O-N 3.43Å; Y640-C667 HydrophobicContact CD1-CB 4.35Å; Y640-A668 CarbonylContact C-O 3.6Å; Y640-A668 WeakPolarHBondContact CA-O 3.41Å; Y640-L669 HydrophobicContact CD1-CG 4.09Å; Y640-L669 HydrophobicContact CE1-CD1 4.1Å; Y640-L669 HydrophobicContact CE1-CD2 4.35Å; Y640-L669 HydrophobicContact CE1-CG 3.6Å
641S80.2Confident87.7Confident46 Ų4657.6 Ų57.632%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-108.2144.4172.642.40000111.3C667 A668S641-C667 WeakPolarHBondContact O-CA 3.17Å; S641-A668 PolarHBondContact N-O 3.28Å; S641-A668 PolarHBondContact O-N 3.27Å
642L85.2Confident87.1Confident51 Ų5155.5 Ų55.527%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-85.9123.4-178.1-166.8149.3000110.8Y634 C636 G644 A646 P665 K666Y634-L642 WeakPolarHBondContact O-CD1 3.18Å; C636-L642 VanDerWaalsContact SG-CA 3.52Å; C636-L642 VanDerWaalsContact SG-CB 3.56Å; L642-G644 VanDerWaalsContact CD2-O 3.25Å; L642-G644 WeakPolarHBondContact CD2-O 3.4Å; L642-A646 HydrophobicContact CD1-CB 4.1Å; L642-A646 HydrophobicContact CD2-CB 4.02Å; L642-P665 HydrophobicContact CD1-CB 4.39Å; L642-P665 HydrophobicContact CD1-CG 4.3Å; L642-P665 HydrophobicContact CD2-CB 3.58Å; L642-P665 HydrophobicContact CD2-CG 4.24Å; L642-P665 HydrophobicContact CG-CB 3.95Å; L642-P665 HydrophobicContact CG-CG 4.4Å; L642-K666 WeakPolarHBondContact CA-O 3.26Å
643E86.6Confident86.2Confident114 Ų11462 Ų6253%0.53335%0.346SS..EExtended strand (participates in β ladder)trans-105.6114.7175.7-63.4-178.3161.300109.2P665 K666 A668E643-P665 CarbonylContact O-C 3.55Å; E643-P665 VanDerWaalsContact O-CA 3.27Å; E643-P665 WeakPolarHBondContact O-CA 3.28Å; E643-P665 VanDerWaalsContact O-CB 3.31Å; E643-P665 WeakPolarHBondContact O-CB 3.38Å; E643-K666 PolarHBondContact N-O 2.81Å; E643-K666 PolarHBondContact O-N 2.89Å; E643-A668 VanDerWaalsContact CD-CB 3.47Å; E643-A668 HydrophobicContact CG-CB 4.1Å; E643-A668 VanDerWaalsContact OE1-CB 3.29Å; E643-A668 WeakPolarHBondContact OE1-CB 3.3Å
644G85.9Confident84.8Confident61 Ų6166 Ų6663%0.62937%0.37SS*.SBendtrans111.5-164.9-175.700000113.2L642 A646L642-G644 VanDerWaalsContact CD2-O 3.25Å; L642-G644 WeakPolarHBondContact CD2-O 3.4Å; G644-A646 PolarHBondContact O-N 2.85Å
645A87.6Confident83.2Confident22 Ų2271.9 Ų71.918%0.18241%0.406CS..  trans-75118-179.900000111.5M647 L648 D662 P665A645-M647 PolarHBondContact O-N 2.72Å; A645-L648 HydrophobicContact CB-CD2 4.01Å; A645-D662 HydrophobicContact CB-CB 3.72Å; A645-P665 WeakPolarHBondContact O-CG 3.31Å
646A88Confident81.9Confident49 Ų4966.3 Ų66.341%0.40539%0.39SS..SBendtrans-67.7-10.517500000113.9Q633 Y634 L642 G644Q633-A646 WeakPolarHBondContact CA-O 3.35Å; Q633-A646 WeakPolarHBondContact CG-O 3.02Å; Y634-A646 PolarHBondContact N-O 2.86Å; L642-A646 HydrophobicContact CD1-CB 4.1Å; L642-A646 HydrophobicContact CD2-CB 4.02Å; G644-A646 PolarHBondContact O-N 2.85Å
647M92.3Very high81.2Confident62 Ų6267.9 Ų67.931%0.30540%0.399SS..EExtended strand (participates in β ladder)trans-141.8113.8-174.6175.388.3-75.200108.7H631 V632 Q633 A645H631-M647 HydrophobicContact CB-CE 3.61Å; H631-M647 HydrophobicContact CB-SD 4.13Å; V632-M647 WeakPolarHBondContact O-CE 3.04Å; Q633-M647 HydrophobicContact CB-CE 3.63Å; Q633-M647 HydrophobicContact CB-SD 4.43Å; Q633-M647 VanDerWaalsContact N-CE 3.29Å; A645-M647 PolarHBondContact O-N 2.72Å
648L91.4Very high81Confident1 Ų164.2 Ų64.21%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-97.7137.8170.8-55.6-173.7000109.7P611 H631 V632 Y634 A645 W660 D662 V664P611-L648 HydrophobicContact CB-CD1 4.08Å; H631-L648 CarbonylContact C-O 3.54Å; H631-L648 WeakPolarHBondContact CA-O 3.4Å; V632-L648 PolarHBondContact N-O 3.09Å; V632-L648 PolarHBondContact O-N 2.86Å; Y634-L648 HydrophobicContact CE2-CD1 3.89Å; Y634-L648 HydrophobicContact CE2-CG 4.12Å; A645-L648 HydrophobicContact CB-CD2 4.01Å; L648-W660 HydrophobicContact CB-CB 4.43Å; L648-W660 HydrophobicContact CB-CD2 4.25Å; L648-W660 HydrophobicContact CB-CE3 3.68Å; L648-W660 HydrophobicContact CB-CZ3 4.38Å; L648-W660 HydrophobicContact CD1-CB 4.36Å; L648-W660 HydrophobicContact CD1-CG 4.4Å; L648-D662 HydrophobicContact CD2-CB 3.7Å; L648-V664 HydrophobicContact CD1-CG2 4.44Å
649T91.3Very high81.2Confident62 Ų6263.8 Ų63.838%0.3837%0.366SS..EExtended strand (participates in β ladder)trans-118.2136.8172.759.10000110.9S630 H631 W660 S661S630-T649 WeakPolarHBondContact O-CA 3.49Å; H631-T649 HydrophobicContact CB-CG2 4.03Å; T649-W660 VanDerWaalsContact C-CE3 3.42Å; T649-W660 CarbonylContact O-C 3.48Å; T649-W660 WeakPolarHBondContact O-CA 3.34Å; T649-S661 PolarHBondContact N-OG 2.79Å; T649-S661 PolarHBondContact O-N 2.98Å; T649-S661 WeakPolarHBondContact OG1-CB 3.33Å
650C90.5Very high82Confident4 Ų463.5 Ų63.53%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-84.3119.3177.4179.40000109.4C608 G629 S630 W660C608-C650 HydrophobicContact CB-CB 3.86Å; C608-C650 WeakPolarHBondContact CB-SG 3.49Å; C608-C650 PolarHBondContact N-SG 2.84Å; C608-C650 WeakPolarHBondContact SG-CA 3.32Å; C608-C650 WeakPolarHBondContact SG-CB 3.4Å; C608-C650 CovalentContact SG-SG 2.03Å; C608-C650 PolarHBondContact SG-SG 2.74Å; G629-C650 PolarHBondContact N-O 3.1Å; S630-C650 PolarHBondContact O-N 3.43Å; C650-W660 HydrophobicContact CB-CE3 4Å; C650-W660 HydrophobicContact CB-CH2 3.84Å; C650-W660 HydrophobicContact CB-CZ2 4.39Å; C650-W660 HydrophobicContact CB-CZ3 3.63Å; C650-W660 VanDerWaalsContact N-CZ3 3.34Å
651Y87.2Confident82.4Confident88 Ų8862.7 Ų62.735%0.34536%0.355SS..EExtended strand (participates in β ladder)trans-124.1142.3178.974.2-80.1000111.7R653 P658 K659Y651-R653 PolarHBondContact OH-NH2 3.28Å; Y651-P658 WeakPolarHBondContact O-CA 3.32Å; Y651-K659 WeakPolarHBondContact CD1-O 3.12Å; Y651-K659 HydrophobicContact CE1-CB 4.4Å; Y651-K659 WeakPolarHBondContact CE1-O 3.19Å; Y651-K659 PolarHBondContact N-O 3.42Å; Y651-K659 PolarHBondContact O-N 2.87Å
652S80.8Confident82.8Confident44 Ų4464.9 Ų64.931%0.30836%0.363SS..EExtended strand (participates in β ladder)trans-75.4144.9169.2-164.50000109.6
653R71.8Confident82.9Confident136 Ų13672.8 Ų72.851%0.51339%0.39SS..EExtended strand (participates in β ladder)trans-100.7152.7155.8-165.2170-65.9-160.1-2.8107.8Y651 T655Y651-R653 PolarHBondContact OH-NH2 3.28Å; R653-T655 PolarHBondContact O-N 3.24Å
654D63.8Low83Confident149 Ų14970.4 Ų70.480%0.79738%0.382SS*.THydrogen-bonded Turntrans-66-28.6-173-54.3-76.4000113.2
655T58.6Low83.2Confident124 Ų12467.7 Ų67.776%0.76135%0.354SS*.THydrogen-bonded Turntrans-129.332.2-171.854.70000113.7R653R653-T655 PolarHBondContact O-N 3.24Å
656G64.9Low83.3Confident17 Ų1773.9 Ų73.918%0.17538%0.377CS..EExtended strand (participates in β ladder)trans-170.5176.6179.400000114.6
657T75.4Confident83.3Confident64 Ų6472.2 Ų72.239%0.39336%0.362SS..EExtended strand (participates in β ladder)trans-57.6141.2179.245.70000112.3I605I605-T657 HydrophobicContact CD1-CG2 3.87Å
658P83.6Confident82.7Confident10 Ų1070.5 Ų70.57%0.06536%0.358CS..EExtended strand (participates in β ladder)trans-55.6142.5170.3-25.135.2000111.6I605 T607 V628 Y651I605-P658 HydrophobicContact CG2-CG 4.29Å; I605-P658 VanDerWaalsContact O-CD 3.28Å; I605-P658 WeakPolarHBondContact O-CD 3.39Å; I605-P658 WeakPolarHBondContact O-CG 3.44Å; T607-P658 WeakPolarHBondContact O-CB 3.39Å; T607-P658 WeakPolarHBondContact O-CG 3.04Å; V628-P658 HydrophobicContact CG2-CB 3.82Å; V628-P658 HydrophobicContact CG2-CG 3.82Å; Y651-P658 WeakPolarHBondContact O-CA 3.32Å
659K86.3Confident81.8Confident121 Ų12173.7 Ų73.753%0.52637%0.374SS..EExtended strand (participates in β ladder)trans-134.1155.7179.2-71.6-169.8176.9-174.50111.5C608 Y651C608-K659 VanDerWaalsContact SG-C 3.5Å; Y651-K659 WeakPolarHBondContact CD1-O 3.12Å; Y651-K659 HydrophobicContact CE1-CB 4.4Å; Y651-K659 WeakPolarHBondContact CE1-O 3.19Å; Y651-K659 PolarHBondContact N-O 3.42Å; Y651-K659 PolarHBondContact O-N 2.87Å
660W89.8Confident80.4Confident38 Ų3877.4 Ų77.414%0.14439%0.385CS..EExtended strand (participates in β ladder)trans-69.2145.9167.4-64.8108000110.5C608 A609 P611 F626 V632 L648 T649 C650 D662C608-W660 HydrophobicContact CB-CD2 4.19Å; C608-W660 VanDerWaalsContact CB-CE2 3.49Å; C608-W660 HydrophobicContact CB-CH2 4.35Å; C608-W660 HydrophobicContact CB-CZ2 3.59Å; A609-W660 PolarHBondContact O-NE1 3.37Å; P611-W660 HydrophobicContact CG-CD2 4.43Å; P611-W660 HydrophobicContact CG-CZ2 3.87Å; F626-W660 HydrophobicContact CB-CH2 4Å; F626-W660 HydrophobicContact CB-CZ2 3.82Å; F626-W660 AromaticContact CD1-CH2 3.79Å; F626-W660 HydrophobicContact CD1-CH2 3.79Å; F626-W660 AromaticContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CD1-CZ2 3.83Å; F626-W660 HydrophobicContact CG-CH2 4.18Å; F626-W660 AromaticContact CG-CZ2 3.89Å; F626-W660 HydrophobicContact CG-CZ2 3.89Å; V632-W660 HydrophobicContact CG2-CH2 3.56Å; V632-W660 HydrophobicContact CG2-CZ2 4.2Å; V632-W660 HydrophobicContact CG2-CZ3 3.92Å; L648-W660 HydrophobicContact CB-CB 4.43Å; L648-W660 HydrophobicContact CB-CD2 4.25Å; L648-W660 HydrophobicContact CB-CE3 3.68Å; L648-W660 HydrophobicContact CB-CZ3 4.38Å; L648-W660 HydrophobicContact CD1-CB 4.36Å; L648-W660 HydrophobicContact CD1-CG 4.4Å; T649-W660 VanDerWaalsContact C-CE3 3.42Å; T649-W660 CarbonylContact O-C 3.48Å; T649-W660 WeakPolarHBondContact O-CA 3.34Å; C650-W660 HydrophobicContact CB-CE3 4Å; C650-W660 HydrophobicContact CB-CH2 3.84Å; C650-W660 HydrophobicContact CB-CZ2 4.39Å; C650-W660 HydrophobicContact CB-CZ3 3.63Å; C650-W660 VanDerWaalsContact N-CZ3 3.34Å; W660-D662 PolarHBondContact O-N 3.18Å
661S88.9Confident79.2Confident53 Ų5381.4 Ų81.437%0.37140%0.4SS..SBendtrans-54.9-30.6177.856.60000113.9T649T649-S661 PolarHBondContact N-OG 2.79Å; T649-S661 PolarHBondContact O-N 2.98Å; T649-S661 WeakPolarHBondContact OG1-CB 3.33Å
662D88.3Confident78.4Confident93 Ų9383.2 Ų83.250%0.49741%0.412SS..SBendtrans-152176-172.6-139.6-41000111.4A645 L648 W660A645-D662 HydrophobicContact CB-CB 3.72Å; L648-D662 HydrophobicContact CD2-CB 3.7Å; W660-D662 PolarHBondContact O-N 3.18Å
663R87.9Confident78.1Confident217 Ų21783.4 Ų83.482%0.81941%0.412SS*.PPolyproline II helixtrans-78.4152.5173.6-60.7-170.6-173.8-1494.5111.4
664V89.6Confident78.6Confident63 Ų6377.1 Ų77.138%0.38239%0.389SS..PPolyproline II helixtrans-57.7126.3177.3-171.20000110.3P611 I614 L648P611-V664 HydrophobicContact CB-CG2 4.1Å; P611-V664 VanDerWaalsContact O-CG2 3.28Å; P611-V664 WeakPolarHBondContact O-CG2 3.3Å; I614-V664 HydrophobicContact CG2-CG1 3.57Å; L648-V664 HydrophobicContact CD1-CG2 4.44Å
665P89.7Confident79.6Confident5 Ų575.9 Ų75.93%0.03238%0.382CS..PPolyproline II helixtrans-74.4165.6-175.932.2-38000112.6I614 Y634 L642 E643 A645I614-P665 WeakPolarHBondContact CG2-O 3.11Å; Y634-P665 HydrophobicContact CD2-CG 3.69Å; Y634-P665 HydrophobicContact CE2-CG 4.45Å; Y634-P665 HydrophobicContact CG-CG 3.75Å; L642-P665 HydrophobicContact CD1-CB 4.39Å; L642-P665 HydrophobicContact CD1-CG 4.3Å; L642-P665 HydrophobicContact CD2-CB 3.58Å; L642-P665 HydrophobicContact CD2-CG 4.24Å; L642-P665 HydrophobicContact CG-CB 3.95Å; L642-P665 HydrophobicContact CG-CG 4.4Å; E643-P665 CarbonylContact O-C 3.55Å; E643-P665 VanDerWaalsContact O-CA 3.27Å; E643-P665 WeakPolarHBondContact O-CA 3.28Å; E643-P665 VanDerWaalsContact O-CB 3.31Å; E643-P665 WeakPolarHBondContact O-CB 3.38Å; A645-P665 WeakPolarHBondContact O-CG 3.31Å
666K88.6Confident81Confident151 Ų15171.7 Ų71.766%0.65736%0.355SS*.EExtended strand (participates in β ladder)trans-116.4152.1176.5-64.3-179.4-178.7178.20111.1L642 E643L642-K666 WeakPolarHBondContact CA-O 3.26Å; E643-K666 PolarHBondContact N-O 2.81Å; E643-K666 PolarHBondContact O-N 2.89Å
667C88.3Confident82Confident15 Ų1572.5 Ų72.510%0.10136%0.357CS..EExtended strand (participates in β ladder)trans-106.2103.3172.2-69.20000110I614 A615 N616 C636 Y640 S641I614-C667 VanDerWaalsContact CD1-SG 3.55Å; A615-C667 WeakPolarHBondContact O-CB 3.32Å; N616-C667 HydrophobicContact CB-CB 4.15Å; C636-C667 WeakPolarHBondContact CA-SG 3.45Å; C636-C667 HydrophobicContact CB-CB 3.78Å; C636-C667 WeakPolarHBondContact CB-SG 3.4Å; C636-C667 WeakPolarHBondContact SG-CA 3.42Å; C636-C667 WeakPolarHBondContact SG-CB 3.4Å; C636-C667 CovalentContact SG-SG 2.03Å; C636-C667 PolarHBondContact SG-SG 3.06Å; Y640-C667 HydrophobicContact CD1-CB 4.35Å; S641-C667 WeakPolarHBondContact O-CA 3.17Å
668A80.3Confident82.4Confident26 Ų2670.9 Ų70.922%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-92.5148.5177.700000111.4Y640 S641 E643 K670Y640-A668 CarbonylContact C-O 3.6Å; Y640-A668 WeakPolarHBondContact CA-O 3.41Å; S641-A668 PolarHBondContact N-O 3.28Å; S641-A668 PolarHBondContact O-N 3.27Å; E643-A668 VanDerWaalsContact CD-CB 3.47Å; E643-A668 HydrophobicContact CG-CB 4.1Å; E643-A668 VanDerWaalsContact OE1-CB 3.29Å; E643-A668 WeakPolarHBondContact OE1-CB 3.3Å; A668-K670 PolarHBondContact O-N 2.78Å
669L71.5Confident82.5Confident67 Ų6773.9 Ų73.935%0.35137%0.371SS..EExtended strand (participates in β ladder)trans-66.5125.4175.8-99.4147.6000110.7Y640 Y671Y640-L669 HydrophobicContact CD1-CG 4.09Å; Y640-L669 HydrophobicContact CE1-CD1 4.1Å; Y640-L669 HydrophobicContact CE1-CD2 4.35Å; Y640-L669 HydrophobicContact CE1-CG 3.6Å; L669-Y671 HydrophobicContact CB-CE1 4.2Å; L669-Y671 HydrophobicContact CB-CE2 4Å; L669-Y671 PolarHBondContact O-N 2.92Å
670K61.8Low82.5Confident141 Ų14168.6 Ų68.661%0.61335%0.349SS*.  trans-90.991.9178.1-170.6-177177.3-174.80110.3G639 A668G639-K670 PolarHBondContact O-N 3.08Å; A668-K670 PolarHBondContact O-N 2.78Å
671Y65.8Low82.2Confident87 Ų8774.5 Ų74.534%0.34138%0.378SS..PPolyproline II helixtrans-71.6144.8170.3-54.3-67.6000111.1L669 A694 P718L669-Y671 HydrophobicContact CB-CE1 4.2Å; L669-Y671 HydrophobicContact CB-CE2 4Å; L669-Y671 PolarHBondContact O-N 2.92Å; Y671-A694 HydrophobicContact CD2-CB 4.35Å; Y671-P718 HydrophobicContact CD1-CB 3.75Å; Y671-P718 HydrophobicContact CD2-CB 4.25Å; Y671-P718 HydrophobicContact CE1-CB 3.55Å; Y671-P718 HydrophobicContact CE2-CB 4.06Å; Y671-P718 HydrophobicContact CG-CB 4.1Å
672E70.4Confident82.1Confident127 Ų12775.2 Ų75.259%0.59338%0.378SS*.PPolyproline II helixtrans-82.6134.6164.2-69.4-178.2137.900108.8S722E672-S722 WeakPolarHBondContact O-CB 3.1Å; E672-S722 PolarHBondContact O-OG 2.84Å
673P75.1Confident82Confident48 Ų4871 Ų7131%0.31236%0.357SS..PPolyproline II helixtrans-74.5147.1-17331.3-36.4000111.9L675 H691 Y692P673-L675 PolarHBondContact O-N 2.9Å; P673-H691 HydrophobicContact CB-CB 4.01Å; P673-H691 HydrophobicContact CG-CB 3.88Å; P673-Y692 CarbonylContact C-O 3.35Å; P673-Y692 VanDerWaalsContact CA-O 3.26Å; P673-Y692 WeakPolarHBondContact CA-O 3.4Å; P673-Y692 WeakPolarHBondContact CB-O 3.29Å
674C83.1Confident82Confident4 Ų465.6 Ų65.63%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-63.5129.5175.7-61.80000110.7H691 Y692 C716 W724C674-H691 CarbonylContact O-C 3.59Å; C674-H691 WeakPolarHBondContact O-CA 3.46Å; C674-Y692 PolarHBondContact N-O 3.37Å; C674-Y692 PolarHBondContact O-N 3.02Å; C674-C716 HydrophobicContact CB-CB 3.81Å; C674-C716 WeakPolarHBondContact CB-SG 3.3Å; C674-C716 VanDerWaalsContact SG-CA 3.54Å; C674-C716 WeakPolarHBondContact SG-CB 3.34Å; C674-C716 CovalentContact SG-SG 2.03Å; C674-C716 PolarHBondContact SG-SG 3.05Å; C674-W724 HydrophobicContact CB-CD2 4.34Å; C674-W724 HydrophobicContact CB-CH2 4.47Å; C674-W724 HydrophobicContact CB-CZ2 3.7Å
675L84.8Confident82Confident123 Ų12363.5 Ų63.564%0.64432%0.323SS*.EExtended strand (participates in β ladder)trans-62.9151169.3-77.7162.2000110.9P673 W724P673-L675 PolarHBondContact O-N 2.9Å; L675-W724 PolarHBondContact O-NE1 3.19Å
676N86.4Confident81.6Confident36 Ų3667.1 Ų67.119%0.19335%0.345CS..PPolyproline II helixtrans-58.3123.7174.9-169.6-38.7000110.9G678 Q685 Y688 K689 H690 Y692N676-G678 PolarHBondContact O-N 3.47Å; N676-G678 PolarHBondContact OD1-N 2.82Å; N676-Q685 PolarHBondContact ND2-NE2 3.45Å; N676-Y688 WeakPolarHBondContact ND2-CE2 3.32Å; N676-K689 WeakPolarHBondContact CB-O 3.09Å; N676-K689 PolarHBondContact ND2-O 3.25Å; N676-H690 PolarHBondContact N-O 2.97Å; N676-H690 VanDerWaalsContact N-O 3.1Å; N676-Y692 HydrophobicContact CB-CE2 3.87Å; N676-Y692 PolarHBondContact ND2-OH 3.37Å
677P85.8Confident81.3Confident34 Ų3463.8 Ų63.822%0.22133%0.334CS..  trans-75.5-9.4-176.728.7-31.3000113.7L698 F700 I714 W724 P728P677-L698 HydrophobicContact CG-CD1 3.81Å; P677-F700 HydrophobicContact CG-CZ 4.31Å; P677-I714 HydrophobicContact CB-CD1 4.27Å; P677-I714 HydrophobicContact CG-CD1 3.78Å; P677-W724 HydrophobicContact CG-CD2 4.35Å; P677-W724 HydrophobicContact CG-CZ2 4.19Å; P677-P728 HydrophobicContact CB-CG 4.47Å
678G83.9Confident81.1Confident30 Ų3070.3 Ų70.331%0.30936%0.358SS..  trans95.7158.5-178.300000113.4N676 Q685N676-G678 PolarHBondContact O-N 3.47Å; N676-G678 PolarHBondContact OD1-N 2.82Å; G678-Q685 PolarHBondContact O-OE1 3.24Å
679V85.6Confident81.1Confident72 Ų7272.6 Ų72.644%0.43636%0.363SS..PPolyproline II helixtrans-93.3134.6177.9-174.80000109.4G683 Q685V679-G683 WeakPolarHBondContact CG1-O 3.4Å; V679-Q685 HydrophobicContact CG2-CG 4.13Å
680P86.6Confident81.4Confident11 Ų1175.6 Ų75.67%0.07138%0.375CS..PPolyproline II helixtrans-59.3141.8174.6-25.635.5000112.9N682 G683 F700 P729P680-N682 PolarHBondContact O-N 2.93Å; P680-G683 PolarHBondContact O-N 3.49Å; P680-F700 VanDerWaalsContact CD-CD1 3.42Å; P680-F700 HydrophobicContact CG-CB 4.45Å; P680-F700 HydrophobicContact CG-CD1 3.77Å; P680-F700 HydrophobicContact CG-CE1 4.3Å; P680-F700 HydrophobicContact CG-CG 4.25Å; P680-P729 WeakPolarHBondContact CB-O 3.43Å; P680-P729 HydrophobicContact CG-CG 4.23Å; P680-P729 WeakPolarHBondContact CG-O 3.21Å
681E84.3Confident82.5Confident162 Ų16273.9 Ų73.976%0.75737%0.369SS*.THydrogen-bonded Turntrans-62.1130.1170.6-162.9-172.6164.800109.7G683 C731E681-G683 VanDerWaalsContact C-N 3.29Å; E681-G683 PolarHBondContact O-N 3.3Å; E681-C731 WeakPolarHBondContact O-CB 3.32Å
682N87.1Confident83.3Confident67 Ų6769.8 Ų69.836%0.35835%0.353SS..THydrogen-bonded Turntrans62.127.8-170.2-49.9-73.9000115P680 Y703 F706 C731P680-N682 PolarHBondContact O-N 2.93Å; N682-Y703 VanDerWaalsContact O-CD2 3.28Å; N682-Y703 WeakPolarHBondContact O-CD2 3.48Å; N682-Y703 PolarHBondContact O-N 2.71Å; N682-F706 HydrophobicContact CB-CD1 3.73Å; N682-F706 HydrophobicContact CB-CD2 4.12Å; N682-F706 HydrophobicContact CB-CE1 3.52Å; N682-F706 HydrophobicContact CB-CE2 3.94Å; N682-F706 HydrophobicContact CB-CG 4.04Å; N682-F706 HydrophobicContact CB-CZ 3.63Å; N682-F706 VanDerWaalsContact CG-CE1 3.44Å; N682-F706 VanDerWaalsContact CG-CZ 3.42Å; N682-C731 HydrophobicContact CB-CB 4.38Å
683G86.2Confident83.9Confident6 Ų669.1 Ų69.16%0.06235%0.35CS..EExtended strand (participates in β ladder)trans-139.8-176.4170.800000114.3V679 P680 E681 F701V679-G683 WeakPolarHBondContact CG1-O 3.4Å; P680-G683 PolarHBondContact O-N 3.49Å; E681-G683 VanDerWaalsContact C-N 3.29Å; E681-G683 PolarHBondContact O-N 3.3Å; G683-F701 CarbonylContact C-O 3.45Å; G683-F701 WeakPolarHBondContact CA-O 3.46Å
684Y87.3Confident83.9Confident102 Ų10268.6 Ų68.640%0.435%0.349SS..EExtended strand (participates in β ladder)trans-145162.8176.265.8-84.4000111.3F700 F701 Y703Y684-F700 WeakPolarHBondContact O-CA 3.42Å; Y684-F701 HydrophobicContact CD1-CB 4.05Å; Y684-F701 HydrophobicContact CD2-CB 4.38Å; Y684-F701 HydrophobicContact CD2-CD2 4.02Å; Y684-F701 HydrophobicContact CE1-CB 3.55Å; Y684-F701 HydrophobicContact CE1-CG 4.39Å; Y684-F701 HydrophobicContact CE2-CB 3.92Å; Y684-F701 AromaticContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CD2 3.42Å; Y684-F701 VanDerWaalsContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CE2 4.21Å; Y684-F701 AromaticContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CG-CB 4.43Å; Y684-F701 VanDerWaalsContact CZ-CB 3.47Å; Y684-F701 AromaticContact CZ-CD2 3.76Å; Y684-F701 AromaticContact CZ-CG 3.81Å; Y684-F701 PolarHBondContact N-O 3.47Å; Y684-F701 PolarHBondContact O-N 3.02Å; Y684-Y703 HydrophobicContact CD1-CD1 4.05Å; Y684-Y703 AromaticContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CE1-CD1 4.29Å; Y684-Y703 HydrophobicContact CE1-CE1 4.09Å; Y684-Y703 HydrophobicContact CG-CE1 4.45Å
685Q88.6Confident83.7Confident20 Ų2071.1 Ų71.19%0.09338%0.376CS..EExtended strand (participates in β ladder)trans-119.2154.2178.972.5-173.644.400112N676 G678 V679 L687 Y692 R699 F700N676-Q685 PolarHBondContact ND2-NE2 3.45Å; G678-Q685 PolarHBondContact O-OE1 3.24Å; V679-Q685 HydrophobicContact CG2-CG 4.13Å; Q685-L687 VanDerWaalsContact C-N 3.3Å; Q685-L687 WeakPolarHBondContact CG-O 3.37Å; Q685-L687 PolarHBondContact NE2-O 3.1Å; Q685-L687 PolarHBondContact O-N 2.76Å; Q685-Y692 PolarHBondContact NE2-OH 3.31Å; Q685-Y692 VanDerWaalsContact NE2-OH 3.09Å; Q685-R699 CarbonylContact C-O 3.54Å; Q685-R699 WeakPolarHBondContact CA-O 3.49Å; Q685-F700 HydrophobicContact CB-CD1 3.63Å; Q685-F700 HydrophobicContact CB-CE1 3.69Å
686T82.6Confident83.7Confident80 Ų8067.6 Ų67.649%0.49136%0.356SS..SBendtrans-62.7-30-17643.30000115.2R699 F701T686-R699 HydrophobicContact CG2-CB 3.75Å; T686-R699 HydrophobicContact CG2-CG 4.17Å; T686-R699 PolarHBondContact N-O 2.96Å; T686-R699 PolarHBondContact OG1-N 2.95Å; T686-R699 PolarHBondContact OG1-O 2.61Å; T686-F701 HydrophobicContact CG2-CE2 3.69Å; T686-F701 HydrophobicContact CG2-CZ 4.4Å
687L81.2Confident83.8Confident82 Ų8269.1 Ų69.143%0.42937%0.37SS..  trans-149.9135.6-171.4-171.364.7000109.5Q685 K689 Y692 L698Q685-L687 VanDerWaalsContact C-N 3.3Å; Q685-L687 WeakPolarHBondContact CG-O 3.37Å; Q685-L687 PolarHBondContact NE2-O 3.1Å; Q685-L687 PolarHBondContact O-N 2.76Å; L687-K689 HydrophobicContact CD2-CD 4.45Å; L687-Y692 PolarHBondContact O-OH 3.06Å; L687-Y692 VanDerWaalsContact O-OH 3.07Å; L687-L698 HydrophobicContact CB-CD2 4.22Å; L687-L698 VanDerWaalsContact O-CD2 3.31Å; L687-L698 WeakPolarHBondContact O-CD2 3.39Å
688Y84.4Confident84Confident151 Ų15167.5 Ų67.559%0.59236%0.359SS*.  trans-116.6113.1176.8-172.2-85.5000111.1N676N676-Y688 WeakPolarHBondContact ND2-CE2 3.32Å
689K80.8Confident84.3Confident74 Ų7471.7 Ų71.732%0.32237%0.366SS..  trans-127.9159.8167.7-59.4175.7170.8176.30108.6N676 L687 H691 Y692 E696N676-K689 WeakPolarHBondContact CB-O 3.09Å; N676-K689 PolarHBondContact ND2-O 3.25Å; L687-K689 HydrophobicContact CD2-CD 4.45Å; K689-H691 VanDerWaalsContact CB-O 3.28Å; K689-H691 WeakPolarHBondContact CB-O 3.46Å; K689-Y692 HydrophobicContact CB-CD1 4.27Å; K689-Y692 HydrophobicContact CB-CE1 3.8Å; K689-Y692 HydrophobicContact CB-CE2 4.06Å; K689-Y692 HydrophobicContact CD-CD1 3.89Å; K689-Y692 HydrophobicContact CD-CE1 3.93Å; K689-Y692 HydrophobicContact CG-CD1 4.42Å; K689-Y692 HydrophobicContact CG-CE1 3.97Å; K689-Y692 PolarHBondContact N-OH 2.86Å; K689-Y692 VanDerWaalsContact O-CE2 3.3Å; K689-Y692 WeakPolarHBondContact O-CE2 3.24Å; K689-Y692 PolarHBondContact O-OH 3.36Å; K689-E696 IonicContact NZ-OE1 2.93Å; K689-E696 PolarHBondContact NZ-OE1 2.87Å; K689-E696 IonicContact NZ-OE2 2.68Å; K689-E696 PolarHBondContact NZ-OE2 2.85Å
690H78.6Confident84.6Confident130 Ų13068.3 Ų68.360%0.60235%0.345SS*.SBendtrans-76.7-28.7169.3-70.3-79000112.7N676N676-H690 PolarHBondContact N-O 2.97Å; N676-H690 VanDerWaalsContact N-O 3.1Å
691H83.5Confident84.7Confident105 Ų10571.5 Ų71.549%0.48636%0.358SS..EExtended strand (participates in β ladder)trans-138.9145.7-178-57101.5000109.8P673 C674 K689P673-H691 HydrophobicContact CB-CB 4.01Å; P673-H691 HydrophobicContact CG-CB 3.88Å; C674-H691 CarbonylContact O-C 3.59Å; C674-H691 WeakPolarHBondContact O-CA 3.46Å; K689-H691 VanDerWaalsContact CB-O 3.28Å; K689-H691 WeakPolarHBondContact CB-O 3.46Å
692Y84Confident85Confident2 Ų265 Ų651%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-127.3138.8-178.2-61.4-95.6000110.6P673 C674 N676 Q685 L687 K689 E696 L698 W724P673-Y692 CarbonylContact C-O 3.35Å; P673-Y692 VanDerWaalsContact CA-O 3.26Å; P673-Y692 WeakPolarHBondContact CA-O 3.4Å; P673-Y692 WeakPolarHBondContact CB-O 3.29Å; C674-Y692 PolarHBondContact N-O 3.37Å; C674-Y692 PolarHBondContact O-N 3.02Å; N676-Y692 HydrophobicContact CB-CE2 3.87Å; N676-Y692 PolarHBondContact ND2-OH 3.37Å; Q685-Y692 PolarHBondContact NE2-OH 3.31Å; Q685-Y692 VanDerWaalsContact NE2-OH 3.09Å; L687-Y692 PolarHBondContact O-OH 3.06Å; L687-Y692 VanDerWaalsContact O-OH 3.07Å; K689-Y692 HydrophobicContact CB-CD1 4.27Å; K689-Y692 HydrophobicContact CB-CE1 3.8Å; K689-Y692 HydrophobicContact CB-CE2 4.06Å; K689-Y692 HydrophobicContact CD-CD1 3.89Å; K689-Y692 HydrophobicContact CD-CE1 3.93Å; K689-Y692 HydrophobicContact CG-CD1 4.42Å; K689-Y692 HydrophobicContact CG-CE1 3.97Å; K689-Y692 PolarHBondContact N-OH 2.86Å; K689-Y692 VanDerWaalsContact O-CE2 3.3Å; K689-Y692 WeakPolarHBondContact O-CE2 3.24Å; K689-Y692 PolarHBondContact O-OH 3.36Å; Y692-E696 WeakPolarHBondContact CA-OE2 3.4Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD1-CD2 4.38Å; Y692-L698 HydrophobicContact CD1-CG 4.32Å; Y692-L698 HydrophobicContact CD2-CD1 4.48Å; Y692-L698 HydrophobicContact CE1-CD1 4.02Å; Y692-L698 HydrophobicContact CE1-CD2 3.58Å; Y692-L698 HydrophobicContact CE1-CG 3.92Å; Y692-L698 HydrophobicContact CE2-CD1 4.03Å; Y692-W724 HydrophobicContact CD1-CH2 4.25Å; Y692-W724 AromaticContact CD2-CH2 3.93Å; Y692-W724 HydrophobicContact CD2-CH2 3.93Å; Y692-W724 AromaticContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CE2-CZ2 4.31Å; Y692-W724 AromaticContact CG-CH2 3.71Å; Y692-W724 HydrophobicContact CG-CH2 3.71Å; Y692-W724 AromaticContact CG-CZ2 3.85Å; Y692-W724 HydrophobicContact CG-CZ2 3.85Å
693Q81Confident85.1Confident113 Ų11367.8 Ų67.853%0.52834%0.337SS..  trans-77.8156.8-179.7-61.7-63.2-8.900111.7G695 E696Q693-G695 PolarHBondContact O-N 2.84Å; Q693-E696 HydrophobicContact CB-CG 4.16Å; Q693-E696 PolarHBondContact N-OE2 2.96Å; Q693-E696 VanDerWaalsContact O-CB 3.32Å; Q693-E696 WeakPolarHBondContact O-CB 3.26Å; Q693-E696 WeakPolarHBondContact O-CG 3.5Å; Q693-E696 PolarHBondContact O-N 2.91Å
694A75.1Confident84.9Confident36 Ų3676.8 Ų76.830%0.29838%0.377SS..THydrogen-bonded Turntrans-58.4130.9173.500000110.5Y671 C716 P718Y671-A694 HydrophobicContact CD2-CB 4.35Å; A694-C716 WeakPolarHBondContact CA-O 3.44Å; A694-P718 HydrophobicContact CB-CB 3.81Å; A694-P718 HydrophobicContact CB-CG 4.44Å
695G79.4Confident84.4Confident58 Ų5874.1 Ų74.160%0.59838%0.381SS*.THydrogen-bonded Turntrans93.9-16.9-171.100000114.8Q693 C716Q693-G695 PolarHBondContact O-N 2.84Å; G695-C716 PolarHBondContact N-O 2.9Å
696E84.6Confident84.2Confident48 Ų4876 Ų7622%0.22439%0.389CS..  trans-68.8142.9176.1-65.7-157.292.900112K689 Y692 Q693 T715 C716K689-E696 IonicContact NZ-OE1 2.93Å; K689-E696 PolarHBondContact NZ-OE1 2.87Å; K689-E696 IonicContact NZ-OE2 2.68Å; K689-E696 PolarHBondContact NZ-OE2 2.85Å; Y692-E696 WeakPolarHBondContact CA-OE2 3.4Å; Q693-E696 HydrophobicContact CB-CG 4.16Å; Q693-E696 PolarHBondContact N-OE2 2.96Å; Q693-E696 VanDerWaalsContact O-CB 3.32Å; Q693-E696 WeakPolarHBondContact O-CB 3.26Å; Q693-E696 WeakPolarHBondContact O-CG 3.5Å; Q693-E696 PolarHBondContact O-N 2.91Å; E696-T715 WeakPolarHBondContact O-CA 3.41Å; E696-C716 PolarHBondContact O-N 2.87Å
697S89.1Confident84.3Confident69 Ų6978.1 Ų78.148%0.48339%0.393SS..EExtended strand (participates in β ladder)trans-121.8127.4-175-58.10000110.9I714 T715S697-I714 CarbonylContact C-O 3.43Å; S697-I714 WeakPolarHBondContact CA-O 3.48Å; S697-T715 VanDerWaalsContact OG-CG2 3.26Å; S697-T715 WeakPolarHBondContact OG-CG2 3.27Å
698L89.1Confident84.6Confident0 Ų076.2 Ų76.20%038%0.383CS..EExtended strand (participates in β ladder)trans-104.3134.9174.9-80.9177.9000110.4P677 L687 Y692 F700 T713 I714 W724P677-L698 HydrophobicContact CG-CD1 3.81Å; L687-L698 HydrophobicContact CB-CD2 4.22Å; L687-L698 VanDerWaalsContact O-CD2 3.31Å; L687-L698 WeakPolarHBondContact O-CD2 3.39Å; Y692-L698 HydrophobicContact CD1-CD1 4.48Å; Y692-L698 HydrophobicContact CD1-CD2 4.38Å; Y692-L698 HydrophobicContact CD1-CG 4.32Å; Y692-L698 HydrophobicContact CD2-CD1 4.48Å; Y692-L698 HydrophobicContact CE1-CD1 4.02Å; Y692-L698 HydrophobicContact CE1-CD2 3.58Å; Y692-L698 HydrophobicContact CE1-CG 3.92Å; Y692-L698 HydrophobicContact CE2-CD1 4.03Å; L698-F700 HydrophobicContact CB-CE2 4.47Å; L698-F700 HydrophobicContact CB-CZ 4.5Å; L698-T713 CarbonylContact O-C 3.38Å; L698-T713 VanDerWaalsContact O-CA 3.24Å; L698-T713 WeakPolarHBondContact O-CA 3Å; L698-T713 WeakPolarHBondContact O-CG2 3.32Å; L698-I714 HydrophobicContact CB-CG1 4.03Å; L698-I714 PolarHBondContact N-O 2.68Å; L698-I714 PolarHBondContact O-N 3.03Å; L698-W724 HydrophobicContact CB-CZ3 4.36Å; L698-W724 HydrophobicContact CD1-CH2 3.55Å; L698-W724 HydrophobicContact CD1-CZ2 3.89Å; L698-W724 HydrophobicContact CD1-CZ3 4.12Å; L698-W724 HydrophobicContact CG-CH2 3.88Å; L698-W724 HydrophobicContact CG-CZ3 4.21Å
699R91.1Very high84.7Confident118 Ų11873.1 Ų73.145%0.44538%0.376SS..EExtended strand (participates in β ladder)trans-118140.9173.4169.9172.5-63172.50.9110.6Q685 T686 F701 V712 T713Q685-R699 CarbonylContact C-O 3.54Å; Q685-R699 WeakPolarHBondContact CA-O 3.49Å; T686-R699 HydrophobicContact CG2-CB 3.75Å; T686-R699 HydrophobicContact CG2-CG 4.17Å; T686-R699 PolarHBondContact N-O 2.96Å; T686-R699 PolarHBondContact OG1-N 2.95Å; T686-R699 PolarHBondContact OG1-O 2.61Å; R699-F701 HydrophobicContact CG-CE1 4.34Å; R699-F701 HydrophobicContact CG-CE2 4.01Å; R699-F701 HydrophobicContact CG-CZ 3.84Å; R699-V712 VanDerWaalsContact CA-O 3.32Å; R699-V712 WeakPolarHBondContact CA-O 3.48Å; R699-V712 HydrophobicContact CG-CG1 4.21Å; R699-V712 WeakPolarHBondContact CG-O 3.35Å; R699-T713 HydrophobicContact CB-CG2 4.38Å; R699-T713 PolarHBondContact NE-OG1 3.42Å; R699-T713 PolarHBondContact NH2-OG1 3.19Å
700F91.2Very high85Confident0 Ų072.1 Ų72.10%039%0.387CS..EExtended strand (participates in β ladder)trans-113.4155.3-179.4-59.2-82.8000111.9P677 P680 Y684 Q685 L698 L708 V712 I714 P728 P729P677-F700 HydrophobicContact CG-CZ 4.31Å; P680-F700 VanDerWaalsContact CD-CD1 3.42Å; P680-F700 HydrophobicContact CG-CB 4.45Å; P680-F700 HydrophobicContact CG-CD1 3.77Å; P680-F700 HydrophobicContact CG-CE1 4.3Å; P680-F700 HydrophobicContact CG-CG 4.25Å; Y684-F700 WeakPolarHBondContact O-CA 3.42Å; Q685-F700 HydrophobicContact CB-CD1 3.63Å; Q685-F700 HydrophobicContact CB-CE1 3.69Å; L698-F700 HydrophobicContact CB-CE2 4.47Å; L698-F700 HydrophobicContact CB-CZ 4.5Å; F700-L708 HydrophobicContact CB-CD1 4.29Å; F700-L708 WeakPolarHBondContact O-CD1 3.34Å; F700-V712 PolarHBondContact N-O 3.36Å; F700-I714 HydrophobicContact CE2-CD1 3.63Å; F700-I714 HydrophobicContact CE2-CG1 3.84Å; F700-I714 HydrophobicContact CE2-CG2 4.38Å; F700-I714 HydrophobicContact CZ-CD1 3.98Å; F700-P728 HydrophobicContact CE2-CB 4.47Å; F700-P728 HydrophobicContact CZ-CB 4.13Å; F700-P729 HydrophobicContact CB-CG 3.64Å; F700-P729 HydrophobicContact CD2-CG 3.66Å; F700-P729 HydrophobicContact CE2-CG 4.47Å; F700-P729 HydrophobicContact CG-CG 3.74Å
701F90.1Very high85.5Confident78 Ų7871.3 Ų71.334%0.34238%0.383SS..EExtended strand (participates in β ladder)trans-141153.4175.2-57.9-80.1000109.3G683 Y684 T686 R699G683-F701 CarbonylContact C-O 3.45Å; G683-F701 WeakPolarHBondContact CA-O 3.46Å; Y684-F701 HydrophobicContact CD1-CB 4.05Å; Y684-F701 HydrophobicContact CD2-CB 4.38Å; Y684-F701 HydrophobicContact CD2-CD2 4.02Å; Y684-F701 HydrophobicContact CE1-CB 3.55Å; Y684-F701 HydrophobicContact CE1-CG 4.39Å; Y684-F701 HydrophobicContact CE2-CB 3.92Å; Y684-F701 AromaticContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CD2 3.42Å; Y684-F701 VanDerWaalsContact CE2-CD2 3.42Å; Y684-F701 HydrophobicContact CE2-CE2 4.21Å; Y684-F701 AromaticContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CE2-CG 3.97Å; Y684-F701 HydrophobicContact CG-CB 4.43Å; Y684-F701 VanDerWaalsContact CZ-CB 3.47Å; Y684-F701 AromaticContact CZ-CD2 3.76Å; Y684-F701 AromaticContact CZ-CG 3.81Å; Y684-F701 PolarHBondContact N-O 3.47Å; Y684-F701 PolarHBondContact O-N 3.02Å; T686-F701 HydrophobicContact CG2-CE2 3.69Å; T686-F701 HydrophobicContact CG2-CZ 4.4Å; R699-F701 HydrophobicContact CG-CE1 4.34Å; R699-F701 HydrophobicContact CG-CE2 4.01Å; R699-F701 HydrophobicContact CG-CZ 3.84Å
702C91.1Very high85.8Confident27 Ų2769.5 Ų69.518%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-104.5156173-60.70000110.7F706 L708 C731C702-F706 HydrophobicContact CB-CB 3.96Å; C702-L708 VanDerWaalsContact SG-CA 3.59Å; C702-L708 VanDerWaalsContact SG-CB 3.56Å; C702-C731 WeakPolarHBondContact CA-SG 3.48Å; C702-C731 HydrophobicContact CB-CB 3.72Å; C702-C731 WeakPolarHBondContact CB-SG 3.48Å; C702-C731 VanDerWaalsContact SG-CA 3.51Å; C702-C731 WeakPolarHBondContact SG-CB 3.16Å; C702-C731 CovalentContact SG-SG 2.03Å; C702-C731 PolarHBondContact SG-SG 3.49Å
703Y87.3Confident86Confident125 Ų12571.4 Ų71.449%0.4939%0.391SS..  trans-74.9164.6171-62.4-57.4000111.9N682 Y684 G705 F706N682-Y703 VanDerWaalsContact O-CD2 3.28Å; N682-Y703 WeakPolarHBondContact O-CD2 3.48Å; N682-Y703 PolarHBondContact O-N 2.71Å; Y684-Y703 HydrophobicContact CD1-CD1 4.05Å; Y684-Y703 AromaticContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CD1-CE1 3.54Å; Y684-Y703 HydrophobicContact CE1-CD1 4.29Å; Y684-Y703 HydrophobicContact CE1-CE1 4.09Å; Y684-Y703 HydrophobicContact CG-CE1 4.45Å; Y703-G705 PolarHBondContact O-N 2.83Å; Y703-F706 WeakPolarHBondContact O-CB 3.29Å; Y703-F706 PolarHBondContact O-N 3.03Å; Y703-F706 VanDerWaalsContact O-N 3.15Å
704E83.2Confident86.5Confident195 Ų19566 Ų6691%0.91137%0.366SS*.THydrogen-bonded Turntrans-57.3138-177.1-62.6-169.9155.600112.4
705G76.3Confident87.2Confident46 Ų4666.3 Ų66.347%0.47436%0.364SS..THydrogen-bonded Turntrans88-5.2-174.200000115Y703 T734Y703-G705 PolarHBondContact O-N 2.83Å; G705-T734 PolarHBondContact O-N 3.2Å; G705-T734 VanDerWaalsContact O-N 3.16Å; G705-T734 PolarHBondContact O-OG1 2.89Å
706F84.9Confident87.6Confident58 Ų5863.6 Ų63.625%0.25434%0.336SS..EExtended strand (participates in β ladder)trans-115.5138.5177.4-61-103.5000112.4N682 C702 Y703 C731 K732 V733N682-F706 HydrophobicContact CB-CD1 3.73Å; N682-F706 HydrophobicContact CB-CD2 4.12Å; N682-F706 HydrophobicContact CB-CE1 3.52Å; N682-F706 HydrophobicContact CB-CE2 3.94Å; N682-F706 HydrophobicContact CB-CG 4.04Å; N682-F706 HydrophobicContact CB-CZ 3.63Å; N682-F706 VanDerWaalsContact CG-CE1 3.44Å; N682-F706 VanDerWaalsContact CG-CZ 3.42Å; C702-F706 HydrophobicContact CB-CB 3.96Å; Y703-F706 WeakPolarHBondContact O-CB 3.29Å; Y703-F706 PolarHBondContact O-N 3.03Å; Y703-F706 VanDerWaalsContact O-N 3.15Å; F706-C731 HydrophobicContact CB-CB 4Å; F706-C731 HydrophobicContact CD1-CB 4.34Å; F706-C731 HydrophobicContact CG-CB 4.47Å; F706-K732 CarbonylContact C-O 3.53Å; F706-K732 VanDerWaalsContact CA-O 3.28Å; F706-K732 WeakPolarHBondContact CA-O 3.38Å; F706-V733 HydrophobicContact CD1-CG2 3.9Å; F706-V733 HydrophobicContact CE1-CG2 3.45Å; F706-V733 VanDerWaalsContact CE1-CG2 3.45Å; F706-V733 HydrophobicContact CZ-CG2 3.94Å
707E83.4Confident87.6Confident125 Ų12564.3 Ų64.358%0.58434%0.343SS*.EExtended strand (participates in β ladder)trans-99.8139.6174.9-173.7171.7-161.200110.8C731 K732 T734E707-C731 WeakPolarHBondContact O-CA 3.44Å; E707-K732 PolarHBondContact N-O 3.05Å; E707-K732 PolarHBondContact O-N 3.29Å; E707-T734 HydrophobicContact CB-CG2 4.11Å
708L88.1Confident87Confident43 Ų4364.5 Ų64.523%0.22534%0.343CS..EExtended strand (participates in β ladder)trans-86.3118.8-178.4-168.6158.3000110.6F700 C702 V712 P729F700-L708 HydrophobicContact CB-CD1 4.29Å; F700-L708 WeakPolarHBondContact O-CD1 3.34Å; C702-L708 VanDerWaalsContact SG-CA 3.59Å; C702-L708 VanDerWaalsContact SG-CB 3.56Å; L708-V712 HydrophobicContact CD1-CG2 4.4Å; L708-V712 HydrophobicContact CD2-CG2 3.93Å; L708-P729 HydrophobicContact CD1-CG 4.29Å; L708-P729 HydrophobicContact CD2-CB 3.49Å; L708-P729 VanDerWaalsContact CD2-CB 3.49Å; L708-P729 HydrophobicContact CD2-CG 3.99Å; L708-P729 HydrophobicContact CG-CB 3.95Å; L708-P729 HydrophobicContact CG-CG 4.17Å
709I87.8Confident85.9Confident85 Ų8565.6 Ų65.644%0.43635%0.354SS..EExtended strand (participates in β ladder)trans-114.2107.2179.2-54.2178.9000109.4P729 L730 K732I709-P729 WeakPolarHBondContact O-CA 3.25Å; I709-L730 PolarHBondContact N-O 3.28Å; I709-L730 PolarHBondContact O-N 3.24Å; I709-K732 HydrophobicContact CD1-CB 4.15Å; I709-K732 HydrophobicContact CD1-CD 3.7Å; I709-K732 HydrophobicContact CD1-CG 3.96Å
710G86.7Confident84.5Confident53 Ų5366.3 Ų66.355%0.54636%0.362SS..SBendtrans138-166.9-177.800000110.9
711E89.3Confident83.3Confident114 Ų11470 Ų7053%0.53339%0.386SS..  trans-74.7132.3174.2-86.9-61.8167.700111.7T713 I714 S726 P729E711-T713 VanDerWaalsContact C-N 3.31Å; E711-I714 HydrophobicContact CB-CG2 4.06Å; E711-S726 WeakPolarHBondContact CB-OG 3.18Å; E711-P729 WeakPolarHBondContact O-CG 3.42Å
712V88.4Confident82.7Confident67 Ų6766.8 Ų66.841%0.40637%0.374SS..SBendtrans-73.8-27.9179.9176.70000110.7R699 F700 L708R699-V712 VanDerWaalsContact CA-O 3.32Å; R699-V712 WeakPolarHBondContact CA-O 3.48Å; R699-V712 HydrophobicContact CG-CG1 4.21Å; R699-V712 WeakPolarHBondContact CG-O 3.35Å; F700-V712 PolarHBondContact N-O 3.36Å; L708-V712 HydrophobicContact CD1-CG2 4.4Å; L708-V712 HydrophobicContact CD2-CG2 3.93Å
713T89.9Confident82.4Confident41 Ų4171.4 Ų71.425%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-138.8123.5179.5-54.30000110.5L698 R699 E711L698-T713 CarbonylContact O-C 3.38Å; L698-T713 VanDerWaalsContact O-CA 3.24Å; L698-T713 WeakPolarHBondContact O-CA 3Å; L698-T713 WeakPolarHBondContact O-CG2 3.32Å; R699-T713 HydrophobicContact CB-CG2 4.38Å; R699-T713 PolarHBondContact NE-OG1 3.42Å; R699-T713 PolarHBondContact NH2-OG1 3.19Å; E711-T713 VanDerWaalsContact C-N 3.31Å
714I90.1Very high82.4Confident0 Ų067.6 Ų67.60%038%0.377CS..EExtended strand (participates in β ladder)trans-114.1150179.570.9176.2000109.8P677 S697 L698 F700 E711 W724 S726P677-I714 HydrophobicContact CB-CD1 4.27Å; P677-I714 HydrophobicContact CG-CD1 3.78Å; S697-I714 CarbonylContact C-O 3.43Å; S697-I714 WeakPolarHBondContact CA-O 3.48Å; L698-I714 HydrophobicContact CB-CG1 4.03Å; L698-I714 PolarHBondContact N-O 2.68Å; L698-I714 PolarHBondContact O-N 3.03Å; F700-I714 HydrophobicContact CE2-CD1 3.63Å; F700-I714 HydrophobicContact CE2-CG1 3.84Å; F700-I714 HydrophobicContact CE2-CG2 4.38Å; F700-I714 HydrophobicContact CZ-CD1 3.98Å; E711-I714 HydrophobicContact CB-CG2 4.06Å; I714-W724 HydrophobicContact CB-CE3 4.37Å; I714-W724 HydrophobicContact CD1-CB 4.37Å; I714-W724 HydrophobicContact CD1-CD2 3.99Å; I714-W724 HydrophobicContact CD1-CE3 3.85Å; I714-W724 HydrophobicContact CD1-CG 4.21Å; I714-W724 HydrophobicContact CG1-CD2 4.34Å; I714-W724 HydrophobicContact CG1-CE3 3.68Å; I714-W724 HydrophobicContact CG1-CZ3 4.12Å; I714-S726 WeakPolarHBondContact CG2-OG 3.45Å
715T90Very high82.7Confident42 Ų4262.1 Ų62.126%0.25836%0.357SS..EExtended strand (participates in β ladder)trans-128.1143.6-175.271.40000111.5E696 S697 V717 W724 T725E696-T715 WeakPolarHBondContact O-CA 3.41Å; S697-T715 VanDerWaalsContact OG-CG2 3.26Å; S697-T715 WeakPolarHBondContact OG-CG2 3.27Å; T715-V717 PolarHBondContact O-N 3.09Å; T715-W724 WeakPolarHBondContact O-CA 3.09Å; T715-T725 PolarHBondContact N-OG1 3.02Å; T715-T725 PolarHBondContact O-N 3.36Å; T715-T725 WeakPolarHBondContact OG1-CG2 3.17Å
716C88.4Confident83.2Confident1 Ų161.7 Ų61.71%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-81.4106.2175.6177.70000108.5C674 A694 G695 E696 W724C674-C716 HydrophobicContact CB-CB 3.81Å; C674-C716 WeakPolarHBondContact CB-SG 3.3Å; C674-C716 VanDerWaalsContact SG-CA 3.54Å; C674-C716 WeakPolarHBondContact SG-CB 3.34Å; C674-C716 CovalentContact SG-SG 2.03Å; C674-C716 PolarHBondContact SG-SG 3.05Å; A694-C716 WeakPolarHBondContact CA-O 3.44Å; G695-C716 PolarHBondContact N-O 2.9Å; E696-C716 PolarHBondContact O-N 2.87Å; C716-W724 HydrophobicContact CB-CE3 4.16Å; C716-W724 HydrophobicContact CB-CH2 4.04Å; C716-W724 HydrophobicContact CB-CZ3 3.86Å
717V84.4Confident83.3Confident63 Ų6367 Ų6738%0.38237%0.373SS..EExtended strand (participates in β ladder)trans-88.9137.9177.1-73.90000111.1T715 S722 Q723 T725T715-V717 PolarHBondContact O-N 3.09Å; V717-S722 WeakPolarHBondContact O-CA 3.36Å; V717-S722 WeakPolarHBondContact O-CB 3.34Å; V717-Q723 WeakPolarHBondContact CG2-O 3.3Å; V717-Q723 PolarHBondContact N-O 3.14Å; V717-Q723 PolarHBondContact O-N 3.33Å; V717-T725 HydrophobicContact CG1-CG2 3.69Å; V717-T725 HydrophobicContact CG2-CG2 4.44Å
718P76.7Confident83.4Confident74 Ų7463.4 Ų63.448%0.48136%0.36SS..  trans-62.8135.5-178.224.1-32.4000111.6Y671 A694Y671-P718 HydrophobicContact CD1-CB 3.75Å; Y671-P718 HydrophobicContact CD2-CB 4.25Å; Y671-P718 HydrophobicContact CE1-CB 3.55Å; Y671-P718 HydrophobicContact CE2-CB 4.06Å; Y671-P718 HydrophobicContact CG-CB 4.1Å; A694-P718 HydrophobicContact CB-CB 3.81Å; A694-P718 HydrophobicContact CB-CG 4.44Å
719G64.8Low83.4Confident22 Ų2261.5 Ų61.523%0.22735%0.35CS..  trans-171.9-171.7178.400000113.3P721 S722G719-P721 CarbonylContact C-O 3.3Å; G719-P721 VanDerWaalsContact C-O 3.3Å; G719-P721 CarbonylContact O-C 3.55Å; G719-S722 PolarHBondContact N-OG 3.44Å; G719-S722 PolarHBondContact O-N 3.15Å; G719-S722 PolarHBondContact O-OG 2.92Å
720H61.5Low83.5Confident133 Ų13362.3 Ų62.362%0.61636%0.355SS*.THydrogen-bonded Turntrans-129.288.3174.9-66.1-63.4000110.4
721P67.6Low83.7Confident78 Ų7860.5 Ų60.551%0.50633%0.334SS..THydrogen-bonded Turncis-73.3163.6-6.233.1-36.9000112.5G719G719-P721 CarbonylContact C-O 3.3Å; G719-P721 VanDerWaalsContact C-O 3.3Å; G719-P721 CarbonylContact O-C 3.55Å
722S76.9Confident83.5Confident11 Ų1160.6 Ų60.68%0.07733%0.332CS..  trans-65.4146168.2-53.20000110.3E672 V717 G719E672-S722 WeakPolarHBondContact O-CB 3.1Å; E672-S722 PolarHBondContact O-OG 2.84Å; V717-S722 WeakPolarHBondContact O-CA 3.36Å; V717-S722 WeakPolarHBondContact O-CB 3.34Å; G719-S722 PolarHBondContact N-OG 3.44Å; G719-S722 PolarHBondContact O-N 3.15Å; G719-S722 PolarHBondContact O-OG 2.92Å
723Q83.8Confident83.2Confident124 Ų12462 Ų6258%0.57934%0.341SS*.EExtended strand (participates in β ladder)trans-132.2157.9-172.6-60.6-174.523.600111.7V717V717-Q723 WeakPolarHBondContact CG2-O 3.3Å; V717-Q723 PolarHBondContact N-O 3.14Å; V717-Q723 PolarHBondContact O-N 3.33Å
724W88.1Confident81.9Confident45 Ų4563.3 Ų63.317%0.1735%0.349CS..EExtended strand (participates in β ladder)trans-80.7141.2170-66.1105.3000110.3C674 L675 P677 Y692 L698 I714 T715 C716 S726C674-W724 HydrophobicContact CB-CD2 4.34Å; C674-W724 HydrophobicContact CB-CH2 4.47Å; C674-W724 HydrophobicContact CB-CZ2 3.7Å; L675-W724 PolarHBondContact O-NE1 3.19Å; P677-W724 HydrophobicContact CG-CD2 4.35Å; P677-W724 HydrophobicContact CG-CZ2 4.19Å; Y692-W724 HydrophobicContact CD1-CH2 4.25Å; Y692-W724 AromaticContact CD2-CH2 3.93Å; Y692-W724 HydrophobicContact CD2-CH2 3.93Å; Y692-W724 AromaticContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CD2-CZ2 3.61Å; Y692-W724 HydrophobicContact CE2-CZ2 4.31Å; Y692-W724 AromaticContact CG-CH2 3.71Å; Y692-W724 HydrophobicContact CG-CH2 3.71Å; Y692-W724 AromaticContact CG-CZ2 3.85Å; Y692-W724 HydrophobicContact CG-CZ2 3.85Å; L698-W724 HydrophobicContact CB-CZ3 4.36Å; L698-W724 HydrophobicContact CD1-CH2 3.55Å; L698-W724 HydrophobicContact CD1-CZ2 3.89Å; L698-W724 HydrophobicContact CD1-CZ3 4.12Å; L698-W724 HydrophobicContact CG-CH2 3.88Å; L698-W724 HydrophobicContact CG-CZ3 4.21Å; I714-W724 HydrophobicContact CB-CE3 4.37Å; I714-W724 HydrophobicContact CD1-CB 4.37Å; I714-W724 HydrophobicContact CD1-CD2 3.99Å; I714-W724 HydrophobicContact CD1-CE3 3.85Å; I714-W724 HydrophobicContact CD1-CG 4.21Å; I714-W724 HydrophobicContact CG1-CD2 4.34Å; I714-W724 HydrophobicContact CG1-CE3 3.68Å; I714-W724 HydrophobicContact CG1-CZ3 4.12Å; T715-W724 WeakPolarHBondContact O-CA 3.09Å; C716-W724 HydrophobicContact CB-CE3 4.16Å; C716-W724 HydrophobicContact CB-CH2 4.04Å; C716-W724 HydrophobicContact CB-CZ3 3.86Å; W724-S726 WeakPolarHBondContact CB-O 3.41Å; W724-S726 PolarHBondContact O-N 2.86Å
725T89.5Confident80.1Confident79 Ų7972 Ų7249%0.48539%0.389SS..SBendtrans-60.2-24.3177.246.70000114.3T715 V717T715-T725 PolarHBondContact N-OG1 3.02Å; T715-T725 PolarHBondContact O-N 3.36Å; T715-T725 WeakPolarHBondContact OG1-CG2 3.17Å; V717-T725 HydrophobicContact CG1-CG2 3.69Å; V717-T725 HydrophobicContact CG2-CG2 4.44Å
726S86.9Confident78.6Confident37 Ų3776.2 Ų76.226%0.25942%0.416SS..SBendtrans-157169.4174.652.10000111.3E711 I714 W724E711-S726 WeakPolarHBondContact CB-OG 3.18Å; I714-S726 WeakPolarHBondContact CG2-OG 3.45Å; W724-S726 WeakPolarHBondContact CB-O 3.41Å; W724-S726 PolarHBondContact O-N 2.86Å
727Q86.9Confident76.3Confident171 Ų17182 Ų8280%0.79945%0.451SS*.PPolyproline II helixtrans-74153.6175.6-68.4-177.8-2.900111.1
728P85.4Confident74Confident49 Ų4985.6 Ų85.632%0.31847%0.468SS..PPolyproline II helixtrans-59.7142.2177.126.3-35.8000111.4P677 F700P677-P728 HydrophobicContact CB-CG 4.47Å; F700-P728 HydrophobicContact CE2-CB 4.47Å; F700-P728 HydrophobicContact CZ-CB 4.13Å
729P88.6Confident72.7Confident3 Ų387.8 Ų87.82%0.01948%0.482CS..PPolyproline II helixtrans-72.5168.4-177.731.2-36.2000112.5P680 F700 L708 I709 E711P680-P729 WeakPolarHBondContact CB-O 3.43Å; P680-P729 HydrophobicContact CG-CG 4.23Å; P680-P729 WeakPolarHBondContact CG-O 3.21Å; F700-P729 HydrophobicContact CB-CG 3.64Å; F700-P729 HydrophobicContact CD2-CG 3.66Å; F700-P729 HydrophobicContact CE2-CG 4.47Å; F700-P729 HydrophobicContact CG-CG 3.74Å; L708-P729 HydrophobicContact CD1-CG 4.29Å; L708-P729 HydrophobicContact CD2-CB 3.49Å; L708-P729 VanDerWaalsContact CD2-CB 3.49Å; L708-P729 HydrophobicContact CD2-CG 3.99Å; L708-P729 HydrophobicContact CG-CB 3.95Å; L708-P729 HydrophobicContact CG-CG 4.17Å; I709-P729 WeakPolarHBondContact O-CA 3.25Å; E711-P729 WeakPolarHBondContact O-CG 3.42Å
730L90.3Very high71.4Confident102 Ų10291.9 Ų91.953%0.53451%0.508SS..EExtended strand (participates in β ladder)trans-117132.8179.9-63.7172.5000111.1I709I709-L730 PolarHBondContact N-O 3.28Å; I709-L730 PolarHBondContact O-N 3.24Å
731C89.4Confident70.4Confident15 Ų1597.7 Ų97.710%0.10152%0.524CS..EExtended strand (participates in β ladder)trans-92.1123.2173.5-60.60000110.2E681 N682 C702 F706 E707E681-C731 WeakPolarHBondContact O-CB 3.32Å; N682-C731 HydrophobicContact CB-CB 4.38Å; C702-C731 WeakPolarHBondContact CA-SG 3.48Å; C702-C731 HydrophobicContact CB-CB 3.72Å; C702-C731 WeakPolarHBondContact CB-SG 3.48Å; C702-C731 VanDerWaalsContact SG-CA 3.51Å; C702-C731 WeakPolarHBondContact SG-CB 3.16Å; C702-C731 CovalentContact SG-SG 2.03Å; C702-C731 PolarHBondContact SG-SG 3.49Å; F706-C731 HydrophobicContact CB-CB 4Å; F706-C731 HydrophobicContact CD1-CB 4.34Å; F706-C731 HydrophobicContact CG-CB 4.47Å; E707-C731 WeakPolarHBondContact O-CA 3.44Å
732K85.6Confident69.1Low115 Ų115102.9 Ų102.950%0.554%0.542SS..EExtended strand (participates in β ladder)trans-125.8143.5179.2-62.9-166.1-168.5171.30112.6F706 E707 I709F706-K732 CarbonylContact C-O 3.53Å; F706-K732 VanDerWaalsContact CA-O 3.28Å; F706-K732 WeakPolarHBondContact CA-O 3.38Å; E707-K732 PolarHBondContact N-O 3.05Å; E707-K732 PolarHBondContact O-N 3.29Å; I709-K732 HydrophobicContact CD1-CB 4.15Å; I709-K732 HydrophobicContact CD1-CD 3.7Å; I709-K732 HydrophobicContact CD1-CG 3.96Å
733V81.3Confident67.2Low98 Ų98109.4 Ų109.459%0.59458%0.575SS**EExtended strand (participates in β ladder)trans-62.9132.8179.8-1770000111F706 Q735F706-V733 HydrophobicContact CD1-CG2 3.9Å; F706-V733 HydrophobicContact CE1-CG2 3.45Å; F706-V733 VanDerWaalsContact CE1-CG2 3.45Å; F706-V733 HydrophobicContact CZ-CG2 3.94Å; V733-Q735 PolarHBondContact O-N 2.6Å
734T64.1Low65.2Low68 Ų68111.9 Ų111.942%0.41759%0.586SS.*  trans-72.3113.7172.952.20000110.7G705 E707G705-T734 PolarHBondContact O-N 3.2Å; G705-T734 VanDerWaalsContact O-N 3.16Å; G705-T734 PolarHBondContact O-OG1 2.89Å; E707-T734 HydrophobicContact CB-CG2 4.11Å
735Q52.8Low63.4Low181 Ų181114 Ų11485%0.84662%0.622SS**  trans-75.6129.7-179.1-71.7-170.5-1100112V733V733-Q735 PolarHBondContact O-N 2.6Å
736T57.7Low61.3Low132 Ų132113.3 Ų113.381%0.8163%0.631SS**  trans-120.871.8-175.442.20000112.9
737T40.5Very low59.8Low123 Ų123117.4 Ų117.476%0.75565%0.65SS**  trans-145.8144.6168.950.60000108
738D35Very low58.1Low138 Ų138116.8 Ų116.874%0.73865%0.651SS**  cis-149.8155.911.7-162.352.8000109.8S740D738-S740 PolarHBondContact O-N 2.87Å
739P49.3Very low56.5Low119 Ų119117.1 Ų117.177%0.77366%0.658SS**  trans-95.1103.8-163.934.6-31.3000114.5
740S38Very low54.9Low109 Ų109121.1 Ų121.176%0.76268%0.679SS**  trans-153.141.6172.152.70000117.3D738D738-S740 PolarHBondContact O-N 2.87Å
741R40.3Very low53.1Low254 Ų254119.7 Ų119.796%0.95868%0.682SS**  trans-133.987.2154.6-79-153.5169.6-147.4-5.2113.2
742Q40.8Very low51.5Low188 Ų188124.5 Ų124.588%0.87971%0.705SS**  trans-95.1105.5168177.8-171.45.600109.7
743L37.4Very low50.2Low147 Ų147124.2 Ų124.277%0.7771%0.708SS**  trans-164.6153.4144.5-13372000111.7
744E41.9Very low49.1Very low176 Ų176125.2 Ų125.282%0.82271%0.71SS**  trans52.369.9161.5-67.5176.8127.300117.9G746E744-G746 PolarHBondContact O-N 2.83Å
745G50.2Low48.9Very low90 Ų90125.6 Ų125.693%0.92871%0.713SS**  trans-66.7117.5149.500000110.3
746G45.4Very low49.5Very low65 Ų65121.5 Ų121.567%0.6770%0.697SS**  trans-162.7155.4179.800000113.9E744E744-G746 PolarHBondContact O-N 2.83Å
747N54.5Low49.9Very low123 Ų123116.7 Ų116.766%0.65867%0.673SS**  trans69.127.5163.3-61.7-19.8000120.4A749 L750N747-A749 PolarHBondContact O-N 3.37Å; N747-L750 HydrophobicContact CB-CD1 3.9Å; N747-L750 PolarHBondContact O-N 2.9Å; N747-L750 WeakPolarHBondContact OD1-CD1 3.42Å
748L51.5Low51.2Low158 Ų158116.2 Ų116.283%0.82767%0.666SS**THydrogen-bonded Turntrans-62.1-17.9152.7-100.6165.9000112.7
749A51.4Low52.9Low55 Ų55114.4 Ų114.446%0.45566%0.659SS.*THydrogen-bonded Turntrans-69.3-33.8175.800000114.2N747 A751 I752 L753N747-A749 PolarHBondContact O-N 3.37Å; A749-A751 PolarHBondContact O-N 3.19Å; A749-I752 PolarHBondContact O-N 2.95Å; A749-L753 HydrophobicContact CB-CD1 4.12Å; A749-L753 WeakPolarHBondContact O-CB 3.07Å; A749-L753 VanDerWaalsContact O-CG 3.29Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.95Å
750L54.6Low53.9Low87 Ų87114.3 Ų114.346%0.45565%0.651SS.*Hα-helixtrans-68.6-33.5-173-98.895.6000113.3N747 I752 L753 L754N747-L750 HydrophobicContact CB-CD1 3.9Å; N747-L750 PolarHBondContact O-N 2.9Å; N747-L750 WeakPolarHBondContact OD1-CD1 3.42Å; L750-I752 PolarHBondContact O-N 2.91Å; L750-L753 PolarHBondContact O-N 2.04Å; L750-L754 WeakPolarHBondContact O-CB 3.4Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.9Å
751A54.1Low55.4Low72 Ų72113.9 Ų113.960%0.59564%0.644SS**Hα-helixtrans-61.9-30.6-179.600000113A749 P755A749-A751 PolarHBondContact O-N 3.19Å; A751-P755 VanDerWaalsContact O-CD 3.26Å; A751-P755 WeakPolarHBondContact O-CD 3.14Å
752I56.1Low56.8Low117 Ų117107 Ų10760%0.663%0.626SS**Hα-helixtrans-93.4-34.7179.1-57.2174.5000110.9A749 L750 P755 L756A749-I752 PolarHBondContact O-N 2.95Å; L750-I752 PolarHBondContact O-N 2.91Å; I752-P755 WeakPolarHBondContact O-CD 3.28Å; I752-P755 WeakPolarHBondContact O-CG 3.46Å; I752-L756 HydrophobicContact CG2-CD1 4.11Å
753L56.9Low58.1Low108 Ų108100.1 Ų100.157%0.56561%0.605SS**Hα-helixtrans-74.9-26.7-179.7-70.2173.2000114.1A749 L750 G757A749-L753 HydrophobicContact CB-CD1 4.12Å; A749-L753 WeakPolarHBondContact O-CB 3.07Å; A749-L753 VanDerWaalsContact O-CG 3.29Å; A749-L753 WeakPolarHBondContact O-CG 3.4Å; A749-L753 PolarHBondContact O-N 2.95Å; L750-L753 PolarHBondContact O-N 2.04Å; L753-G757 WeakPolarHBondContact O-CA 3.48Å; L753-G757 PolarHBondContact O-N 2.87Å
754L59.1Low59.4Low119 Ų11995.8 Ų95.862%0.62359%0.586SS**Hα-helixtrans-62.4-53176.2-80.3166.3000113.8L750 G757 L758L750-L754 WeakPolarHBondContact O-CB 3.4Å; L750-L754 WeakPolarHBondContact O-CG 3.41Å; L750-L754 PolarHBondContact O-N 2.9Å; L754-G757 PolarHBondContact O-N 2.87Å; L754-L758 PolarHBondContact O-N 2.99Å
755P59.9Low60.7Low76 Ų7689.2 Ų89.249%0.49457%0.566SS.*Hα-helixtrans-65.7-39177.223.8-32.9000112.7A751 I752 L758 V759A751-P755 VanDerWaalsContact O-CD 3.26Å; A751-P755 WeakPolarHBondContact O-CD 3.14Å; I752-P755 WeakPolarHBondContact O-CD 3.28Å; I752-P755 WeakPolarHBondContact O-CG 3.46Å; P755-L758 PolarHBondContact O-N 3.44Å; P755-V759 WeakPolarHBondContact O-CG2 3.48Å; P755-V759 PolarHBondContact O-N 2.75Å; P755-V759 VanDerWaalsContact O-N 3.09Å
756L65.8Low61.5Low96 Ų9689.7 Ų89.750%0.50355%0.551SS.*Hα-helixtrans-63-42.1174.5-73.1172.9000112I752 L758 V759 I760I752-L756 HydrophobicContact CG2-CD1 4.11Å; L756-L758 PolarHBondContact O-N 3.44Å; L756-V759 PolarHBondContact O-N 2.97Å; L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.45Å; L756-I760 PolarHBondContact O-N 3.07Å
757G65.2Low62.3Low30 Ų3094.4 Ų94.431%0.30955%0.55SS..Hα-helixtrans-61.4-41.7175.200000112.4L753 L754 V759 I760 V761L753-G757 WeakPolarHBondContact O-CA 3.48Å; L753-G757 PolarHBondContact O-N 2.87Å; L754-G757 PolarHBondContact O-N 2.87Å; G757-V759 PolarHBondContact O-N 3.49Å; G757-I760 PolarHBondContact O-N 2.89Å; G757-V761 WeakPolarHBondContact O-CB 3.44Å; G757-V761 WeakPolarHBondContact O-CG2 3.24Å; G757-V761 PolarHBondContact O-N 3.07Å
758L68.3Low62.6Low113 Ų11393.7 Ų93.759%0.59255%0.545SS*.Hα-helixtrans-61.7-44.1175.6-159.191.8000111.6L754 P755 L756 I760 V761 L762L754-L758 PolarHBondContact O-N 2.99Å; P755-L758 PolarHBondContact O-N 3.44Å; L756-L758 PolarHBondContact O-N 3.44Å; L758-I760 VanDerWaalsContact C-N 3.35Å; L758-I760 PolarHBondContact O-N 3.37Å; L758-V761 PolarHBondContact O-N 2.69Å; L758-L762 HydrophobicContact CD2-CD1 4.21Å; L758-L762 HydrophobicContact CG-CD1 4.28Å; L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.49Å; L758-L762 PolarHBondContact O-N 2.89Å
759V70Confident63.1Low100 Ų10094.2 Ų94.261%0.60654%0.537SS*.Hα-helixtrans-63.2-40.4176.21720000111.3P755 L756 G757 G763P755-V759 WeakPolarHBondContact O-CG2 3.48Å; P755-V759 PolarHBondContact O-N 2.75Å; P755-V759 VanDerWaalsContact O-N 3.09Å; L756-V759 PolarHBondContact O-N 2.97Å; G757-V759 PolarHBondContact O-N 3.49Å; V759-G763 PolarHBondContact O-N 2.85Å
760I70.3Confident63.4Low118 Ų11899.2 Ų99.261%0.60555%0.545SS*.Hα-helixtrans-67.4-39.5176.8-68.6164000111.5L756 G757 L758 S764L756-I760 VanDerWaalsContact O-CG1 3.3Å; L756-I760 WeakPolarHBondContact O-CG1 3.45Å; L756-I760 PolarHBondContact O-N 3.07Å; G757-I760 PolarHBondContact O-N 2.89Å; L758-I760 VanDerWaalsContact C-N 3.35Å; L758-I760 PolarHBondContact O-N 3.37Å; I760-S764 VanDerWaalsContact O-CB 3.29Å; I760-S764 WeakPolarHBondContact O-CB 3.43Å; I760-S764 PolarHBondContact O-N 2.9Å; I760-S764 PolarHBondContact O-OG 3.05Å
761V70.6Confident63.6Low99 Ų9997.7 Ų97.760%0.654%0.539SS*.Hα-helixtrans-66.5-43.8176.1168.70000111.4G757 L758 S764 G765G757-V761 WeakPolarHBondContact O-CB 3.44Å; G757-V761 WeakPolarHBondContact O-CG2 3.24Å; G757-V761 PolarHBondContact O-N 3.07Å; L758-V761 PolarHBondContact O-N 2.69Å; V761-S764 WeakPolarHBondContact CA-OG 3.27Å; V761-S764 PolarHBondContact O-OG 2.83Å; V761-S764 VanDerWaalsContact O-OG 3.14Å; V761-G765 PolarHBondContact O-N 2.54Å
762L67.9Low63.5Low111 Ų111103 Ų10358%0.58155%0.549SS*.Hα-helixtrans-66.3-44.5176.2-69170000111.7L758 G765 V766L758-L762 HydrophobicContact CD2-CD1 4.21Å; L758-L762 HydrophobicContact CG-CD1 4.28Å; L758-L762 WeakPolarHBondContact O-CB 3.35Å; L758-L762 WeakPolarHBondContact O-CG 3.49Å; L758-L762 PolarHBondContact O-N 2.89Å; L762-G765 PolarHBondContact O-N 2.78Å; L762-V766 WeakPolarHBondContact O-CG2 3.46Å; L762-V766 PolarHBondContact O-N 2.93Å
763G68.8Low63.5Low43 Ų43102.8 Ų102.844%0.44355%0.548SS..Hα-helixtrans-63-42.5177.300000113.2V759 V766 Y767V759-G763 PolarHBondContact O-N 2.85Å; G763-V766 PolarHBondContact O-N 2.89Å; G763-Y767 WeakPolarHBondContact O-CB 3.32Å; G763-Y767 PolarHBondContact O-N 2.91Å
764S65.7Low63.3Low55 Ų55104 Ų10439%0.38555%0.552SS.*Hα-helixtrans-69.7-35.6175.655.80000112.6I760 V761 Y767 I768I760-S764 VanDerWaalsContact O-CB 3.29Å; I760-S764 WeakPolarHBondContact O-CB 3.43Å; I760-S764 PolarHBondContact O-N 2.9Å; I760-S764 PolarHBondContact O-OG 3.05Å; V761-S764 WeakPolarHBondContact CA-OG 3.27Å; V761-S764 PolarHBondContact O-OG 2.83Å; V761-S764 VanDerWaalsContact O-OG 3.14Å; S764-Y767 PolarHBondContact O-N 3.08Å; S764-I768 WeakPolarHBondContact O-CB 3.33Å; S764-I768 VanDerWaalsContact O-CG1 3.28Å; S764-I768 WeakPolarHBondContact O-CG1 3.38Å; S764-I768 PolarHBondContact O-N 2.88Å
765G67.8Low63.1Low39 Ų39101.9 Ų101.940%0.40256%0.558SS.*Hα-helixtrans-58.7-46.8170.600000112.9V761 L762 I768 Y769V761-G765 PolarHBondContact O-N 2.54Å; L762-G765 PolarHBondContact O-N 2.78Å; G765-I768 PolarHBondContact O-N 2.86Å; G765-Y769 PolarHBondContact O-N 3.31Å
766V68.1Low62.4Low99 Ų99107.3 Ų107.360%0.657%0.574SS**Hα-helixtrans-63.4-41.8174.8172.60000111.4L762 G763 I768 Y769 Y770L762-V766 WeakPolarHBondContact O-CG2 3.46Å; L762-V766 PolarHBondContact O-N 2.93Å; G763-V766 PolarHBondContact O-N 2.89Å; V766-I768 PolarHBondContact O-N 2.68Å; V766-Y769 WeakPolarHBondContact O-CB 3.33Å; V766-Y769 PolarHBondContact O-N 3.43Å; V766-Y770 WeakPolarHBondContact O-CB 3.03Å; V766-Y770 PolarHBondContact O-N 2.93Å
767Y62.8Low61.4Low165 Ų165107.4 Ų107.465%0.64758%0.583SS**Hα-helixtrans-64.8-38.9177.7-169.4-95.5000112.9G763 S764 Y770 T771G763-Y767 WeakPolarHBondContact O-CB 3.32Å; G763-Y767 PolarHBondContact O-N 2.91Å; S764-Y767 PolarHBondContact O-N 3.08Å; Y767-Y770 PolarHBondContact O-N 3.1Å; Y767-T771 HydrophobicContact CD1-CG2 4.13Å; Y767-T771 HydrophobicContact CE1-CG2 3.76Å; Y767-T771 WeakPolarHBondContact O-CB 3.41Å; Y767-T771 WeakPolarHBondContact O-CG2 3.14Å; Y767-T771 PolarHBondContact O-N 3.26Å; Y767-T771 PolarHBondContact O-OG1 3.18Å
768I60.6Low60.3Low108 Ų108114.6 Ų114.655%0.55461%0.613SS**Hα-helixtrans-66.1-39.2174.3-70.6165.7000110.8S764 G765 V766 T771 K772S764-I768 WeakPolarHBondContact O-CB 3.33Å; S764-I768 VanDerWaalsContact O-CG1 3.28Å; S764-I768 WeakPolarHBondContact O-CG1 3.38Å; S764-I768 PolarHBondContact O-N 2.88Å; G765-I768 PolarHBondContact O-N 2.86Å; V766-I768 PolarHBondContact O-N 2.68Å; I768-T771 WeakPolarHBondContact CA-OG1 2.99Å; I768-T771 PolarHBondContact O-OG1 3.26Å; I768-T771 VanDerWaalsContact O-OG1 3.14Å; I768-K772 WeakPolarHBondContact O-CB 3.14Å; I768-K772 PolarHBondContact O-N 2.66Å; I768-K772 VanDerWaalsContact O-N 3.1Å
769Y62.2Low59Low169 Ų169117.4 Ų117.466%0.66362%0.621SS**Hα-helixtrans-62.7-46.8173.8-171.7-100.9000111.7G765 V766 K772 L773G765-Y769 PolarHBondContact O-N 3.31Å; V766-Y769 WeakPolarHBondContact O-CB 3.33Å; V766-Y769 PolarHBondContact O-N 3.43Å; Y769-K772 PolarHBondContact O-N 2.99Å; Y769-L773 HydrophobicContact CD1-CD1 3.78Å; Y769-L773 HydrophobicContact CE1-CD1 3.37Å; Y769-L773 PolarHBondContact O-N 2.8Å; Y769-L773 VanDerWaalsContact O-N 3.16Å
770Y56.3Low57.2Low160 Ų160123.3 Ų123.363%0.62763%0.632SS**Hα-helixtrans-65.2-41-179-148.7-86.9000112.9V766 Y767 K772 L773 Q774V766-Y770 WeakPolarHBondContact O-CB 3.03Å; V766-Y770 PolarHBondContact O-N 2.93Å; Y767-Y770 PolarHBondContact O-N 3.1Å; Y770-K772 VanDerWaalsContact C-N 3.35Å; Y770-L773 PolarHBondContact O-N 3.06Å; Y770-Q774 PolarHBondContact O-N 2.88Å
771T58.8Low55.4Low54 Ų54124.9 Ų124.933%0.33164%0.641SS.*Hα-helixtrans-68.5-32.5175.947.30000112.4Y767 I768 L773 Q774Y767-T771 HydrophobicContact CD1-CG2 4.13Å; Y767-T771 HydrophobicContact CE1-CG2 3.76Å; Y767-T771 WeakPolarHBondContact O-CB 3.41Å; Y767-T771 WeakPolarHBondContact O-CG2 3.14Å; Y767-T771 PolarHBondContact O-N 3.26Å; Y767-T771 PolarHBondContact O-OG1 3.18Å; I768-T771 WeakPolarHBondContact CA-OG1 2.99Å; I768-T771 PolarHBondContact O-OG1 3.26Å; I768-T771 VanDerWaalsContact O-OG1 3.14Å; T771-L773 VanDerWaalsContact C-N 3.35Å; T771-Q774 PolarHBondContact O-N 3.24Å
772K52.3Low53.6Low183 Ų183128.2 Ų128.280%0.79666%0.655SS**Hα-helixtrans-68.9-30.9174.5-149.8-179.1-173.1-172.80113I768 Y769 Y770 Q774I768-K772 WeakPolarHBondContact O-CB 3.14Å; I768-K772 PolarHBondContact O-N 2.66Å; I768-K772 VanDerWaalsContact O-N 3.1Å; Y769-K772 PolarHBondContact O-N 2.99Å; Y770-K772 VanDerWaalsContact C-N 3.35Å; K772-Q774 VanDerWaalsContact C-N 3.28Å; K772-Q774 PolarHBondContact O-N 2.77Å
773L55.2Low51.8Low113 Ų113126.8 Ų126.859%0.59267%0.667SS**Hα-helixtrans-71.1-17.5171.6-101.4128.8000113.9Y769 Y770 T771Y769-L773 HydrophobicContact CD1-CD1 3.78Å; Y769-L773 HydrophobicContact CE1-CD1 3.37Å; Y769-L773 PolarHBondContact O-N 2.8Å; Y769-L773 VanDerWaalsContact O-N 3.16Å; Y770-L773 PolarHBondContact O-N 3.06Å; T771-L773 VanDerWaalsContact C-N 3.35Å
774Q52.8Low49.9Very low135 Ų135132.3 Ų132.363%0.63169%0.686SS**THydrogen-bonded Turntrans-105.215.8-176.9-72.7-69-40.900114.1Y770 T771 K772 K776Y770-Q774 PolarHBondContact O-N 2.88Å; T771-Q774 PolarHBondContact O-N 3.24Å; K772-Q774 VanDerWaalsContact C-N 3.28Å; K772-Q774 PolarHBondContact O-N 2.77Å; Q774-K776 VanDerWaalsContact C-N 3.29Å; Q774-K776 PolarHBondContact O-N 2.74Å; Q774-K776 VanDerWaalsContact O-N 3.08Å
775G55.4Low48.9Very low74 Ų74135 Ų13576%0.76370%0.702SS**THydrogen-bonded Turntrans66.814.5160.600000117.4
776K45.6Very low47.2Very low189 Ų189139.8 Ų139.882%0.82272%0.717SS**  trans-106.3113.8179.5-73.9178.1-180173.50111.4Q774Q774-K776 VanDerWaalsContact C-N 3.29Å; Q774-K776 PolarHBondContact O-N 2.74Å; Q774-K776 VanDerWaalsContact O-N 3.08Å
777S45.1Very low45.4Very low99 Ų99143.4 Ų143.469%0.69273%0.732SS**  trans-80.3126.8179.8-174.60000111.8
778L42.8Very low43.9Very low181 Ų181143.4 Ų143.495%0.94874%0.738SS**  trans-112.9109.4161.3-100.2165.1000107.8
779F39.6Very low43.5Very low172 Ų172142.9 Ų142.975%0.75474%0.742SS**  trans-118.1153.1-169.5-151.1-84.7000110.5
780R32.3Very low42Very low223 Ų223143.7 Ų143.784%0.84275%0.751SS**  trans75.8136.7-174.3-45.5179.6176.6177.7-2.6112
781L33.5Very low41Very low152 Ų152144.2 Ų144.280%0.79676%0.759SS**  cis-117.914331.3-92.964.9000116
782L32.5Very low39.8Very low168 Ų168153.7 Ų153.788%0.8879%0.789SS**  trans40.3123.6140.8-62.6164.6000121.3
783G29.7Very low38.8Very low82 Ų82147.9 Ų147.985%0.84578%0.782SS**  trans149.375153.800000118.3
784L28.5Very low37.8Very low159 Ų159149.9 Ų149.983%0.83280%0.798SS**  trans-93.5166.9157.1-89.8135.1000109
785P46.1Very low36.9Very low112 Ų112146.1 Ų146.173%0.72780%0.796SS**  cis-136.3163.21537.2-17.5000118.9
786L31.4Very low35.8Very low138 Ų138150.4 Ų150.472%0.72380%0.8SS**  trans0.1139.2143.8-61.1159.7000120.6
787L30.4Very low35.3Very low175 Ų175149.5 Ų149.592%0.91680%0.799SS**  -160152117.7-110.4154.2000112.9
788Q30.5Very low34.9Very low165 Ų165153.1 Ų153.177%0.77181%0.805SS**  trans-111.7-169.3-179.9-70.2-178.5-83.100109.9
789P53.3Low35.5Very low98 Ų98149.8 Ų149.864%0.63679%0.794SS**  -129.2-175.1-61.337.8-23.6000111.4
790H30.6Very low35.4Very low185 Ų185145.8 Ų145.886%0.85679%0.793SS**  trans-162.9157.6130.5-125.8-87.6000115.5
791H33.9Very low35.8Very low172 Ų172145.6 Ų145.680%0.79682%0.816SS**  trans-96.6142.6177.1-80.9-102.6000113.9
792R33.6Very low35.9Very low252 Ų252145.3 Ų145.395%0.95182%0.817SS**  trans161.1150.4133.6-91168.2175179.4-2.4109.6
793G32.5Very low36.1Very low62 Ų62144.1 Ų144.164%0.63981%0.814SS**  cis138.9133.8-7.600000112.9
794V33.9Very low36.4Very low154 Ų154147.6 Ų147.693%0.93381%0.812SS**  trans71.1140.1179.7-166.80000114.3
795G33.1Very low36.9Very low57 Ų57146.9 Ų146.959%0.58881%0.811SS**  cis143.5136.4-12.500000114.3
796L33.5Very low36.3Very low163 Ų163149.1 Ų149.185%0.85382%0.816SS**  trans66.3163.9173.1-61159.8000114.4
797Q33.6Very low36.7Very low171 Ų171149.8 Ų149.880%0.79982%0.822SS**  cis-149.6160.110-149149-40.600113.6
798Q36.8Very low37.1Very low174 Ų174148 Ų14881%0.81382%0.816SS**  trans-81.3177.8163.8-89.5175.2-40.100111.7
799P56.2Low37.6Very low112 Ų112146.7 Ų146.773%0.72782%0.819SS**  cis-137.4-170.9-30.437.2-18.6000113.6
800A37.2Very low36.3Very low88 Ų88150.8 Ų150.873%0.72783%0.834SS**  trans64.7119.4146.400000120.6
801V41Very low36.8Very low219 Ų219147.6 Ų147.6100%1.32783%0.832SS**  -118.8078.61770000108

Retrieved 801 of 801 residues in 891.4 ms (Link to these results)