A0A096NMJ8_PAPAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession A0A096NMJ8, Species PAPAN (Papio anubis, Olive baboon), Gene SEZ6L2, Length 923 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
1M35.1Very low39.3Very low252 Ų252148.8 Ų148.8100%1.24184%0.844SS**  0129.90-55.9169.9-176.300106.6
2G31.2Very low38.2Very low79 Ų79145.8 Ų145.881%0.81484%0.839SS**  cis-168.2134.2-10.900000108.4
3T31.2Very low37.6Very low142 Ų142147.9 Ų147.987%0.87184%0.837SS**  trans-100-175.7-174.751.30000111.1
4P60.1Low36.9Very low111 Ų111149.5 Ų149.572%0.72184%0.84SS**  -130.4-177.5-60.438.5-24.8000111.5
5R30Very low36.4Very low248 Ų248147.9 Ų147.994%0.93683%0.828SS**  trans-173.5156.9137.3-111168.9-179.8168.50.7114.4
6A32.9Very low35.7Very low88 Ų88149.8 Ų149.873%0.72783%0.825SS**  trans-121.9158.9172.200000110.5
7Q28.5Very low35.2Very low192 Ų192148.6 Ų148.690%0.89782%0.817SS**  trans-173.8137.6155.2-108.6158.34.400113.7
8H28Very low34.8Very low181 Ų181148.2 Ų148.284%0.83881%0.811SS**  trans-105.7-179.9155.9-72.2-69.8000108.1
9P54.2Low34.3Very low116 Ų116147.5 Ų147.575%0.75381%0.806SS**  cis-120.3-124-4330.3-7.1000107.4
10P43.3Very low33.9Very low114 Ų114148.2 Ų148.274%0.7481%0.808SS**  cis-119.8-105.7-33.224.81.6000114.6
11P58.2Low33.7Very low114 Ų114146.9 Ų146.974%0.7481%0.809SS**  trans-137.8174.8-138.142.4-20.2000119.1
12S26.1Very low33.2Very low112 Ų112139.8 Ų139.878%0.78378%0.784SS**  trans-158.2134.7148.644.30000108.3
13Q30.3Very low34Very low174 Ų174141.1 Ų141.181%0.81378%0.778SS**  cis71.311348.4-76.6-153.32.200115.9
14L27.5Very low34Very low170 Ų170143.9 Ų143.989%0.8977%0.773SS**  trans171.5160.3138.8-109.8110.4000108.6
15L28.8Very low32.6Very low126 Ų126145.3 Ų145.366%0.6677%0.773SS**  cis-172.8135.6-43.6-161.585.4000108.1
16F26.5Very low32.7Very low178 Ų178140.6 Ų140.678%0.78176%0.761SS**  trans50.4152.8148-80-150.9000119.7
17L26.6Very low32.5Very low129 Ų129139.2 Ų139.268%0.67576%0.756SS**  cis-170.1175.116.7-121.8168.5000109.5
18I27.5Very low32.7Very low141 Ų141137.9 Ų137.972%0.72375%0.754SS**  trans71.5143.8152.2-74.8156.8000118.9
19L25.3Very low33.5Very low135 Ų135134 Ų13471%0.70775%0.745SS**  cis-176.2158.2-39.3-119.7177.4000109.6
20L27.3Very low32.2Very low162 Ų162135.5 Ų135.585%0.84875%0.746SS**  trans67.9141.5166.7-58.6161.9000116.1
21S28.9Very low31.5Very low120 Ų120136.6 Ų136.684%0.83974%0.739SS**  cis-138.2160.234.853.40000115.9
22C24.7Very low30Very low103 Ų103137.6 Ų137.670%0.69673%0.734SS**  trans-108.2171.1176.9-152.20000110.6W24C22-W24 PolarHBondContact SG-N 2.64Å; C22-W24 VanDerWaalsContact SG-N 3.36Å
23P49Very low30.1Very low108 Ų108139.2 Ų139.270%0.70173%0.729SS**  -150.8131.582.536.7-16.7000118.2
24W30.9Very low30Very low199 Ų199139 Ų13975%0.75473%0.727SS**  73.1157.3129.7-63.319.1000117.4C22C22-W24 PolarHBondContact SG-N 2.64Å; C22-W24 VanDerWaalsContact SG-N 3.36Å
25I30Very low29.9Very low142 Ų142137.6 Ų137.673%0.72872%0.72SS**  cis-130.1133.423.7-69.8171.1000113.2
26Q31.6Very low30.2Very low149 Ų149140.7 Ų140.770%0.69673%0.728SS**  trans16.7146.6138.5-47.7164.8-3.800120.3
27G29.3Very low30.5Very low59 Ų59137.9 Ų137.961%0.60873%0.728SS**  cis-177.8150.10.700000111.3
28L31.9Very low30.9Very low164 Ų164140 Ų14086%0.85973%0.734SS**  80.1147.296.9-69.6171.3000115.4
29P46.4Very low32.2Very low99 Ų99139 Ų13964%0.64374%0.737SS**  cis-144-169.4-39.737.1-16.8000114.9
30L26.2Very low32.3Very low148 Ų148135.5 Ų135.578%0.77573%0.733SS**  trans82.3129.9166.1-55.7165.4000116.2
31K27.8Very low32.2Very low136 Ų136133.1 Ų133.159%0.59173%0.73SS**  cis75143.823.5-153.2-177.5-173-67.70113E33K31-E33 IonicContact NZ-OE2 2.72Å; K31-E33 PolarHBondContact NZ-OE2 2.75Å
32E28.1Very low32.1Very low136 Ų136136.4 Ų136.464%0.63673%0.733SS**  cis-86.4171.6-2.8-88.466.4-139.600114.1
33E28.4Very low32.4Very low146 Ų146137.8 Ų137.868%0.68274%0.738SS**  cis88.5104.525.3-157.6171.6-159.400115.4K31K31-E33 IonicContact NZ-OE2 2.72Å; K31-E33 PolarHBondContact NZ-OE2 2.75Å
34E26.8Very low32.6Very low168 Ų168137.5 Ų137.579%0.78574%0.736SS**  trans150.3141.4140-82.1-143.5120.700117.6
35I25.6Very low32.3Very low141 Ų141134 Ų13472%0.72374%0.737SS**  trans70.8133.5142.8-68.1168.8000122.7
36F34.8Very low32.2Very low192 Ų192134 Ų13484%0.84274%0.743SS**  trans-86.8148.5165-103-87.6000110.9
37P34.2Very low32Very low119 Ų119131.4 Ų131.477%0.77375%0.747SS**  -155.9172.788.342.2-23.5000117.6
38E34.6Very low31.9Very low173 Ų173133.2 Ų133.281%0.80875%0.75SS**  trans-94.2179.3157.9-87.3-160169.200110.9
39P55.5Low31.8Very low119 Ų119134.2 Ų134.277%0.77375%0.751SS**  cis-129.6-174.9-3.937.7-20.2000114.3
40G26.9Very low30.8Very low62 Ų62133.9 Ų133.964%0.63976%0.756SS**  trans134.294.9141.700000120.6
41S25.5Very low30.8Very low112 Ų112134.5 Ų134.578%0.78376%0.759SS**  trans54.4137.3134.360.80000124.6
42E26.4Very low30.7Very low190 Ų190132 Ų13289%0.88876%0.764SS**  trans93.5141.3146.4-78.4175.1-155.200122.3
43T30Very low30.6Very low131 Ų131133.4 Ų133.480%0.80477%0.77SS**  trans-120-162.3-172.860.50000108.3
44P52.7Low30.6Very low103 Ų103133.1 Ų133.167%0.66977%0.773SS**  cis-133-171.3-1141.8-24.6000113.4
45T25.3Very low30.6Very low126 Ų126131.4 Ų131.477%0.77377%0.768SS**  176.8127.9126.126.40000114.6
46V28.6Very low30.6Very low142 Ų142133 Ų13386%0.86177%0.773SS**  52.1134.3119.5179.20000119
47A27.5Very low30.2Very low93 Ų93127.2 Ų127.277%0.76977%0.767SS**  cis-146.1-174.52.200000109.1
48S27.4Very low29.9Very low97 Ų97126.3 Ų126.368%0.67877%0.769SS**  cis-156.8148.516.957.90000113.5
49E28.2Very low29.4Very low186 Ų186126 Ų12687%0.86977%0.772SS**  21.5144.5122.2-50.5179123.900119.5
50A26.6Very low28.1Very low91 Ų91128 Ų12875%0.75278%0.776SS**  cis-151-171.71000000110
51L25.8Very low28.3Very low162 Ų162136.2 Ų136.285%0.84879%0.787SS**  cis-163.9149.915.5-169.882.8000110.5
52A24.9Very low28.7Very low84 Ų84143 Ų14369%0.69480%0.796SS**  trans58.5125.8160.400000118.5
53E26.8Very low28.6Very low164 Ų164137.1 Ų137.177%0.76679%0.786SS**  cis62125.941.6-72.8-128.5128.500117
54L27.7Very low29.3Very low140 Ų140136.1 Ų136.173%0.73378%0.782SS**  -175.9127.9102.4-93168.3000113.1
55L27.6Very low28.1Very low132 Ų132138.9 Ų138.969%0.69179%0.786SS**  trans66.7127.1152.7-57.3171.6000118.4
56H25.8Very low28.2Very low176 Ų176140.5 Ų140.582%0.81579%0.786SS**  65.3139.760.5-65.756.3000113.9
57G26.6Very low28.1Very low69 Ų69136.8 Ų136.871%0.71178%0.777SS**  cis148.7156.9-3.900000113.3
58A26.4Very low28Very low100 Ų100143.9 Ų143.983%0.82679%0.786SS**  trans70.5163.6174.800000115.9
59L25.2Very low28.1Very low168 Ų168147 Ų14788%0.8879%0.794SS**  cis-136149.218.8-87.8166.5000115
60L28.9Very low28.7Very low161 Ų161144.2 Ų144.284%0.84379%0.792SS**  trans-83.9152.5158.2-72.3156.6000110.7
61R29.6Very low28.7Very low234 Ų234143 Ų14388%0.88379%0.787SS**  trans-174.3109.6134.5-105.8165.2-173.7-1600.7115
62R33.8Very low28.8Very low254 Ų254140.9 Ų140.996%0.95879%0.787SS**  -83.8160121.4-103.3-176175.1173.8-1.5107.9
63G25.1Very low29.1Very low66 Ų66144.3 Ų144.368%0.6879%0.793SS**  trans148-172.7169.800000112.1
64P44.5Very low29.6Very low110 Ų110142.3 Ų142.371%0.71480%0.795SS**  cis-103.6174.8-11.625-2.9000110
65E28.5Very low29.7Very low161 Ų161142.5 Ų142.575%0.75280%0.796SS**  160.8158.384.1-85.4-162.7165.600105.6
66M26.6Very low30.7Very low160 Ų160140.7 Ų140.779%0.78879%0.793SS**  cis-150.4144.3-16.2-163.7171-61.200106
67G26.7Very low30.8Very low64 Ų64138.1 Ų138.166%0.6679%0.789SS**  trans-106.4158.7-170.300000115.4
68Y26.3Very low31Very low243 Ų243143 Ų14395%0.95380%0.798SS**  trans-147.4157.4157.3-115.1-84.9000110.7
69L28.2Very low31Very low163 Ų163142.7 Ų142.785%0.85380%0.796SS**  trans-105.8169.2-173.2-84.4172.7000112.3
70P41.9Very low31.2Very low127 Ų127141 Ų14183%0.82579%0.792SS**  trans-94.8170.8-142.937.4-39.4000116.1
71G25.7Very low32.2Very low64 Ų64138.8 Ų138.866%0.6679%0.788SS**  trans-159124.7166.100000113.6
72S28.1Very low33.1Very low119 Ų119132.8 Ų132.883%0.83278%0.779SS**  trans40.9121.9149.160.50000122
73D30.6Very low32.9Very low155 Ų155126 Ų12683%0.82978%0.777SS**  trans-41.6147.9142-78.8-52.4000112.4
74P38.2Very low33.1Very low123 Ų123125.8 Ų125.880%0.79978%0.775SS**  -148.1169.559.742.1-23.2000119.3
75D29.3Very low32.4Very low144 Ų144129.6 Ų129.677%0.7778%0.783SS**  trans-54.9170.4157.4-135.45.3000112.5
76P48.7Very low32.5Very low94 Ų94126.9 Ų126.961%0.6178%0.778SS**  cis-137-169-6.423.82.8000115.4
77T27.9Very low32.6Very low122 Ų122126.5 Ų126.575%0.74878%0.778SS**  trans104.1121.4146.572.50000122.5
78L30.3Very low32.7Very low170 Ų170128.7 Ų128.789%0.8978%0.779SS**  trans65.5137.6137.1-114.971.5000125.1
79A27.8Very low32.8Very low95 Ų95123.2 Ų123.279%0.78577%0.771SS**  trans92.8120.5142.700000121.9
80T28.4Very low33.6Very low131 Ų131121.2 Ų121.280%0.80477%0.768SS**  trans-81.5175.3161.349.40000112.9
81P50.8Low33.1Very low115 Ų115120.6 Ų120.675%0.74777%0.766SS**  cis-127.2-124.3-3636.6-15.5000108.6
82P47.1Very low33.4Very low108 Ų108124.6 Ų124.670%0.70177%0.772SS**  cis-126.9160.5-45.436.2-20.2000115.8
83A30.3Very low34.2Very low111 Ų111124.5 Ų124.592%0.91777%0.768SS**  trans61.7156161.700000118.3
84G28.9Very low34.2Very low62 Ų62127.2 Ų127.264%0.63977%0.767SS**  cis164.8176.8-500000111.4
85Q31.1Very low33.8Very low190 Ų190125.6 Ų125.689%0.88876%0.764SS**  trans71.6161.2179-37-179.214.800114.8
86T28.5Very low33.8Very low105 Ų105123.7 Ų123.764%0.64476%0.758SS**  cis-144.6139.411.238.10000113.4
87L30.1Very low33Very low151 Ų151127.7 Ų127.779%0.79177%0.769SS**  51.5148.7124.6-51.6175000121.2
88T27.9Very low33.9Very low111 Ų111127.5 Ų127.568%0.68177%0.769SS**  cis-161.6145.66.715.10000108
89V28.6Very low33.7Very low127 Ų127122.6 Ų122.677%0.7776%0.759SS**  66137.661.21760000111.8
90P44.9Very low33.8Very low122 Ų122125.6 Ų125.679%0.79277%0.769SS**  cis-123.9-174.93115.413000115.4
91S31.9Very low33.8Very low114 Ų114123 Ų12380%0.79777%0.767SS**  cis-153169.83651.30000117.9
92L31.2Very low33.8Very low147 Ų147123.1 Ų123.177%0.7777%0.768SS**  trans-108.4-167.7-179.3-105.979.6000111.3R94L92-R94 HydrophobicContact CD2-CB 4.48Å
93P46.5Very low32.8Very low118 Ų118124.9 Ų124.977%0.76677%0.771SS**  cis-123.2175.1-3.5188.5000113.7
94R30.8Very low32.7Very low211 Ų211125.1 Ų125.180%0.79676%0.761SS**  cis94.2113.124-171.3-170179.4166.34.6117.5L92L92-R94 HydrophobicContact CD2-CB 4.48Å
95A29.9Very low32.6Very low90 Ų90128.4 Ų128.474%0.74477%0.769SS**  trans-172.2121.3146.900000109.8
96T28.8Very low32.5Very low104 Ų104123.6 Ų123.664%0.63876%0.762SS**  75.4104.667.742.80000119
97E30.9Very low32.5Very low178 Ų178125.6 Ų125.683%0.83277%0.773SS**  53.8174.4123.3-67.7-167.4161.700122.2
98P46.5Very low32.6Very low118 Ų118124.2 Ų124.277%0.76677%0.772SS**  -138.6175.7-55.341.1-25.6000115.1
99G27.4Very low33.1Very low66 Ų66125.1 Ų125.168%0.6878%0.779SS**  trans108.1122.1132.200000123.2
100T29.8Very low33.1Very low159 Ų159129.2 Ų129.298%0.97579%0.786SS**  trans66.8125.7143.825.20000123.7
101G28.7Very low32.2Very low75 Ų75126.7 Ų126.777%0.77378%0.783SS**  trans171.1121.2163.100000113.3
102P49.8Very low31.9Very low118 Ų118127.3 Ų127.377%0.76678%0.782SS**  trans-124.9-171.1-166.742.8-30.9000117
103L27.1Very low31.7Very low145 Ų145132 Ų13276%0.75979%0.789SS**  trans88.9106.5169.2-64.7146.8000116.1
104T27.1Very low30.7Very low116 Ų116130.2 Ų130.271%0.71279%0.792SS**  64.514392.663.80000114.9
105T27.7Very low30.7Very low131 Ų131125.4 Ų125.480%0.80480%0.798SS**  cis-157.6162.125-24.70000110.7
106A29.1Very low30.5Very low89 Ų89124.6 Ų124.674%0.73680%0.798SS**  trans-90.9162.5164.700000112
107V28.1Very low31.4Very low147 Ų147125.4 Ų125.489%0.89181%0.805SS**  trans175.3146.5142.2144.30000111.3
108T32.6Very low31.2Very low123 Ų123122.9 Ų122.976%0.75580%0.802SS**  trans-93.6168.4175.858.60000111.6
109P38.9Very low30.5Very low129 Ų129121.3 Ų121.384%0.83880%0.799SS**  -155.5-17198.740.4-20.5000116
110K27.3Very low31.1Very low213 Ų213123.5 Ų123.593%0.92680%0.801SS**  trans-76.8143.3-177.3-58.8167.6175.81750114.5
111G25.7Very low31.1Very low69 Ų69124 Ų12471%0.71179%0.792SS**  116.6126.611400000122.3
112V25.4Very low31.1Very low128 Ų128127.7 Ų127.778%0.77679%0.793SS**  trans84.9128.6134.21790000120.8
113R27.2Very low30.2Very low245 Ų245129.3 Ų129.393%0.92580%0.795SS**  trans68.7136.8171.5-66.6159.7-166-157.93.7117
114G26Very low30.3Very low81 Ų81128.8 Ų128.884%0.83580%0.798SS**  cis143.5119.7-14.900000115
115A31.1Very low30.6Very low110 Ų110128.6 Ų128.691%0.90980%0.799SS**  trans-163.1137.5164.500000111.8
116G26.4Very low31.5Very low73 Ų73128 Ų12875%0.75380%0.797SS**  trans-108.1-162.1164.900000110.9
117P45.8Very low32.2Very low121 Ų121129.9 Ų129.979%0.78680%0.801SS**  cis-116.4-168.914.942.9-30.1000112.8
118T28.1Very low32.3Very low125 Ų125125.9 Ų125.977%0.76779%0.79SS**  cis-154.1114.619-14.20000105.9
119A30.9Very low32.1Very low84 Ų84126.4 Ų126.469%0.69479%0.794SS**  71.2150.580.500000114.9
120P40.5Very low31.6Very low112 Ų112127.2 Ų127.273%0.72780%0.796SS**  cis-102.8159.4-4.42.622.4000113.4
121E29Very low31.7Very low171 Ų171121.3 Ų121.380%0.79979%0.787SS**  66.6139.873.1-59.8-177.893.600115.2
122L29.1Very low32.2Very low152 Ų152123.7 Ų123.780%0.79679%0.79SS**  cis-150.7-178.63.7-154.666.2000111.3
123L30.7Very low32.9Very low152 Ų152122.9 Ų122.980%0.79679%0.788SS**  trans-135.6159.2-178.6-90.6171.2000114.3
124T29.6Very low34Very low133 Ų133117.1 Ų117.182%0.81678%0.782SS**  trans69.5161.6172.272.10000117.3
125P33.8Very low34.5Very low113 Ų113119.2 Ų119.273%0.73478%0.781SS**  cis-124.8179.3-7.837.4-19.7000114.5
126P45.7Very low34.6Very low117 Ų117119.5 Ų119.576%0.7678%0.776SS**  trans-89.4-176.9169.239.6-38.4000112.3
127P44.8Very low36.2Very low129 Ų129122.2 Ų122.284%0.83878%0.781SS**  cis-130.5176.4-2.742-27.2000115.6
128G30.2Very low35.5Very low64 Ų64120.8 Ų120.866%0.6678%0.779SS**  trans118.4126.4140.300000121
129T28.1Very low35.7Very low134 Ų134120.1 Ų120.182%0.82278%0.779SS**  trans69.9132.3149.6550000123.6
130T29.2Very low36.6Very low145 Ų145122 Ų12289%0.8979%0.785SS**  trans76.9144.9152.342.20000121.9
131A28.7Very low36Very low90 Ų90120 Ų12074%0.74478%0.784SS**  trans-99.2-166.9-17500000111.2
132P36.1Very low37.2Very low119 Ų119118 Ų11877%0.77379%0.785SS**  cis-130.9-124.43.533.9-8.7000113.8
133P40Very low38.4Very low111 Ų111115.7 Ų115.772%0.72178%0.78SS**  -105.5176.3-87.231.1-13.1000115.2
134P51.3Low38.6Very low123 Ų123117 Ų11780%0.79979%0.787SS**  trans-100.1162.5-173.638.8-36.3000116.3
135P34.8Very low38.5Very low126 Ų126113.9 Ų113.982%0.81878%0.781SS**  trans-141.1164.4144.138.4-24000116.3
136S34.6Very low39.1Very low116 Ų116114.8 Ų114.881%0.81179%0.787SS**  trans-96.1-159.3171.2-31.20000111.1
137P58.6Low38.7Very low130 Ų130118.5 Ų118.584%0.84479%0.794SS**  cis-115.7-145.3-1.632.9-8.7000111.5
138A32.2Very low38Very low90 Ų90116.2 Ų116.274%0.74479%0.794SS**  cis-150.6-156.112.600000109.9
139S31.4Very low38.4Very low111 Ų111116.6 Ų116.678%0.77680%0.798SS**  cis-158.9-168.518.8-153.90000111.1
140P49.8Very low38.6Very low125 Ų125119.2 Ų119.281%0.81280%0.8SS**  -105.1179.3-114.640.6-23.3000115.5
141G29Very low38.5Very low69 Ų69121.1 Ų121.171%0.71180%0.799SS**  cis174.4-143.119.400000112.2
142P54.4Low38.6Very low128 Ų128125.1 Ų125.183%0.83180%0.803SS**  -113.6-167.2-10645.1-37.5000114.1
143P54Low38.1Very low104 Ų104125.5 Ų125.568%0.67580%0.803SS**  cis-145162.210.243-22.9000121.1
144L34.2Very low37.7Very low181 Ų181125.7 Ų125.795%0.94880%0.802SS**  trans49.8142144.7-60.8164.6000120.8
145G26.7Very low36.9Very low67 Ų67126 Ų12669%0.69180%0.802SS**  cis151.71725.400000109.3
146P48Very low36.6Very low131 Ų131125.1 Ų125.185%0.85180%0.795SS**  cis-125.3-158.44.244.2-27.5000113.9
147E36.1Very low36.7Very low196 Ų196127.2 Ų127.292%0.91680%0.795SS**  trans-98.5168.2-164.7-57.7160109.400116
148G29.9Very low35.8Very low81 Ų81127.3 Ų127.384%0.83579%0.787SS**  trans154.1126.415800000114.2
149G39.8Very low36Very low72 Ų72128.4 Ų128.474%0.74278%0.784SS**  trans179.8148.5169.100000113.3
150E31Very low36Very low188 Ų188128.5 Ų128.588%0.87978%0.781SS**  trans-173.7144.1152.6-109165-16900111
151E28.9Very low35.3Very low185 Ų185128.1 Ų128.186%0.86478%0.776SS**  trans59.7173.8155-59.6-162.9151.500123.2
152E30.7Very low35.6Very low174 Ų174130.4 Ų130.481%0.81378%0.777SS**  trans-75.5151.5-150.8-48178.3134.900116.3
153T24.3Very low34.7Very low127 Ų127129.9 Ų129.978%0.77977%0.771SS**  -179.7132.7110.625.80000115.3
154T31.4Very low33.8Very low115 Ų115130.6 Ų130.671%0.70677%0.773SS**  trans39.9133.5134.2-42.90000122.7
155T34.1Very low33.6Very low130 Ų130127.5 Ų127.580%0.79876%0.762SS**  trans66.6147.8162.338.30000118.3
156T30.2Very low34.1Very low108 Ų108130.1 Ų130.166%0.66377%0.765SS**  cis-129.7148.41.5480000111.5I158T156-I158 PolarHBondContact O-N 3.38Å
157I36.6Very low33.2Very low160 Ų160130.4 Ų130.482%0.82176%0.764SS**  trans-76.3116166.3-61.2173.7000109.2
158I39.1Very low33.1Very low131 Ų131126.9 Ų126.967%0.67276%0.756SS**  trans-100.6108.6165.9-61.8176.2000107.5T156 T160T156-I158 PolarHBondContact O-N 3.38Å; I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 HydrophobicContact CG2-CG2 4.42Å; I158-T160 PolarHBondContact O-N 2.72Å
159T35.6Very low33.4Very low113 Ų113127.4 Ų127.469%0.69375%0.747SS**  trans-78.378.6-179.7-46.40000111.2T161T159-T161 HydrophobicContact CG2-CG2 4.27Å; T159-T161 PolarHBondContact O-N 2.72Å; T159-T161 VanDerWaalsContact O-N 3.11Å
160T33.1Very low33.6Very low114 Ų114128.8 Ų128.870%0.69974%0.743SS**  trans-73.294.7163.340.80000109.7I158 T162I158-T160 VanDerWaalsContact C-N 3.33Å; I158-T160 HydrophobicContact CG2-CG2 4.42Å; I158-T160 PolarHBondContact O-N 2.72Å; T160-T162 VanDerWaalsContact C-N 3.34Å; T160-T162 PolarHBondContact O-N 2.75Å
161T35.2Very low34.6Very low117 Ų117121.8 Ų121.872%0.71871%0.713SS**  trans-66.591.8166.744.50000110T159 V163T159-T161 HydrophobicContact CG2-CG2 4.27Å; T159-T161 PolarHBondContact O-N 2.72Å; T159-T161 VanDerWaalsContact O-N 3.11Å; T161-V163 PolarHBondContact O-N 2.74Å
162T34.3Very low36.1Very low117 Ų117118.2 Ų118.272%0.71870%0.699SS**  trans-67.498.5164.147.60000108.7T160 T164T160-T162 VanDerWaalsContact C-N 3.34Å; T160-T162 PolarHBondContact O-N 2.75Å; T162-T164 PolarHBondContact O-N 3.49Å
163V36.7Very low37.9Very low117 Ų117112.1 Ų112.171%0.70968%0.675SS**  trans-69.398.8166.5178.70000107.1T161 T165T161-V163 PolarHBondContact O-N 2.74Å; V163-T165 VanDerWaalsContact C-N 3.28Å; V163-T165 PolarHBondContact O-N 2.75Å
164T33.9Very low40.3Very low119 Ų119110.8 Ų110.873%0.7366%0.663SS**  trans-73.583.7175.8-47.90000109T162 T166T162-T164 PolarHBondContact O-N 3.49Å; T164-T166 PolarHBondContact O-N 2.82Å
165T30.8Very low42.6Very low115 Ų115108.2 Ų108.271%0.70665%0.645SS**  trans-62.7104.5169.86.70000108.8V163 V167V163-T165 VanDerWaalsContact C-N 3.28Å; V163-T165 PolarHBondContact O-N 2.75Å; T165-V167 PolarHBondContact O-N 3.3Å
166T35.8Very low44.9Very low123 Ų123107 Ų10776%0.75563%0.634SS**  trans-66.295.1173.448.70000109.1T164 T168T164-T166 PolarHBondContact O-N 2.82Å; T166-T168 PolarHBondContact O-N 2.78Å
167V30.7Very low47.5Very low136 Ų136103 Ų10382%0.82461%0.608SS**  trans-72.199172-179.40000107.6T165 S169T165-V167 PolarHBondContact O-N 3.3Å; V167-S169 PolarHBondContact O-N 2.95Å
168T33.9Very low49.8Very low122 Ų12299.4 Ų99.475%0.74860%0.597SS**PPolyproline II helixtrans-58.6119.6177.6-260000109.5T166T166-T168 PolarHBondContact O-N 2.78Å
169S35.4Very low52Low92 Ų9299.4 Ų99.464%0.64359%0.594SS**PPolyproline II helixtrans-65.6138.5171.352.10000109.7V167 V171V167-S169 PolarHBondContact O-N 2.95Å; S169-V171 PolarHBondContact O-N 3.39Å
170P44.8Very low54.1Low101 Ų10195.7 Ų95.766%0.65658%0.579SS**PPolyproline II helixtrans-60.2127.4178.725.5-34000110.3L172P170-L172 PolarHBondContact O-N 3.04Å
171V52.3Low56.8Low42 Ų4296.7 Ų96.726%0.25558%0.575SS.*  trans-62.6108.7-177.1176.30000110S169 C173 E185 P187S169-V171 PolarHBondContact O-N 3.39Å; V171-C173 PolarHBondContact O-N 2.76Å; V171-E185 WeakPolarHBondContact CG1-O 3.47Å; V171-P187 HydrophobicContact CG1-CB 4.42Å; V171-P187 HydrophobicContact CG1-CG 4.45Å
172L59.3Low59.3Low109 Ų10991.8 Ų91.857%0.57155%0.548SS*.  trans-81.4116.9-179.9-79.4156.1000110.6P170 N175P170-L172 PolarHBondContact O-N 3.04Å; L172-N175 VanDerWaalsContact CB-OD1 3.27Å; L172-N175 WeakPolarHBondContact CB-OD1 3.32Å
173C68.9Low61.9Low47 Ų4791.5 Ų91.532%0.31853%0.534SS..THydrogen-bonded Turntrans-59.4139163.3-176.80000109.8V171 P187 D201 C202V171-C173 PolarHBondContact O-N 2.76Å; C173-P187 HydrophobicContact CB-CG 4.3Å; C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; C173-C202 HydrophobicContact CB-CB 4.09Å; C173-C202 WeakPolarHBondContact CB-SG 3.24Å; C173-C202 WeakPolarHBondContact SG-CA 3.34Å; C173-C202 WeakPolarHBondContact SG-CB 3.36Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.78Å
174N74.8Confident64.3Low99 Ų9986.1 Ų86.153%0.52950%0.502SS..THydrogen-bonded Turntrans64.349.1-174.3-61.5-32.3000115.1T203N174-T203 WeakPolarHBondContact CA-O 3.16Å; N174-T203 PolarHBondContact OD1-N 3.29Å
175N78.7Confident66.7Low61 Ų6183.5 Ų83.533%0.32648%0.481SS..  trans-87.6145.1174.4-100.5-3.2000113.5L172 I177 Y204 S205L172-N175 VanDerWaalsContact CB-OD1 3.27Å; L172-N175 WeakPolarHBondContact CB-OD1 3.32Å; N175-I177 HydrophobicContact CB-CG1 4.33Å; N175-Y204 HydrophobicContact CB-CD1 4.19Å; N175-Y204 WeakPolarHBondContact O-CA 3.44Å; N175-S205 PolarHBondContact O-N 3.22Å
176N83.6Confident68.9Low104 Ų10479.3 Ų79.356%0.55646%0.457SS*.EExtended strand (participates in β ladder)trans-109.1124.3166.2-175.839.8000109.6S205N176-S205 CarbonylContact C-O 3.4Å; N176-S205 WeakPolarHBondContact CA-O 3.43Å; N176-S205 WeakPolarHBondContact CA-OG 3.3Å; N176-S205 WeakPolarHBondContact CB-OG 3.39Å; N176-S205 VanDerWaalsContact CG-OG 3.31Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 PolarHBondContact OD1-OG 2.74Å
177I84.9Confident70.6Confident24 Ų2474.6 Ų74.612%0.12343%0.428CS..EExtended strand (participates in β ladder)trans-120.9127.9-165.8-57.6173.3000108.3N175 V184 S205 I206 H207 Y283N175-I177 HydrophobicContact CB-CG1 4.33Å; I177-V184 HydrophobicContact CD1-CG2 3.84Å; I177-S205 PolarHBondContact N-O 3.38Å; I177-I206 HydrophobicContact CB-CG1 4.44Å; I177-I206 HydrophobicContact CD1-CG1 4.5Å; I177-I206 CarbonylContact O-C 3.59Å; I177-I206 WeakPolarHBondContact O-CA 3.4Å; I177-H207 PolarHBondContact O-N 3.19Å; I177-Y283 HydrophobicContact CG2-CE1 4.11Å; I177-Y283 HydrophobicContact CG2-CE2 4.38Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.09Å
178S85.2Confident72Confident84 Ų8473.4 Ų73.459%0.58742%0.417SS*.  trans-130.821.8-174.970.60000114.5H207S178-H207 WeakPolarHBondContact CA-O 3.46Å
179E83.7Confident73Confident132 Ų13270.1 Ų70.162%0.61740%0.395SS*.  trans-85161.2175.7-64.6168.5156.600110.1
180G80Confident73.7Confident35 Ų3574.5 Ų74.536%0.36141%0.405SS..SBendtrans-76.7-22.4-178.200000113.9Q284 A285G180-Q284 CarbonylContact O-C 3.45Å; G180-A285 VanDerWaalsContact O-CB 3.3Å; G180-A285 WeakPolarHBondContact O-CB 3.02Å; G180-A285 PolarHBondContact O-N 2.67Å
181E89Confident73.9Confident134 Ų13472 Ų7263%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-154.3158.6-178.861.8-175.7-174.500109.4Y283 Q284E181-Y283 CarbonylContact C-O 3.59Å; E181-Y283 VanDerWaalsContact CA-O 3.28Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 3.13Å; E181-Q284 HydrophobicContact CB-CB 4.44Å
182G89.1Confident73.6Confident14 Ų1475.5 Ų75.514%0.14441%0.414CS..EExtended strand (participates in β ladder)trans158.3-160.7173.500000114.1H282 Y283G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.87Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.48Å; G182-Y283 PolarHBondContact N-O 2.9Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.44Å; G182-Y283 PolarHBondContact O-N 3.25Å
183Y88.2Confident73.2Confident112 Ų11273.7 Ų73.744%0.43941%0.414SS..EExtended strand (participates in β ladder)trans-124.7140.7-177.1-58.3-81.7000111.6R280 I281 H282Y183-R280 HydrophobicContact CD1-CG 4.47Å; Y183-R280 VanDerWaalsContact CG-NH2 3.3Å; Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.4Å; Y183-H282 HydrophobicContact CD1-CB 3.99Å; Y183-H282 AromaticContact CD1-CD2 3.93Å; Y183-H282 HydrophobicContact CE1-CB 3.75Å; Y183-H282 AromaticContact CE1-CD2 3.38Å; Y183-H282 WeakPolarHBondContact CE1-CD2 2.97Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.57Å
184V87.7Confident72.3Confident3 Ų373.6 Ų73.62%0.01841%0.414CS..EExtended strand (participates in β ladder)trans-112.2125.7164-172.10000108.2I177 Y204 I206 L266 F279 I281 Y283I177-V184 HydrophobicContact CD1-CG2 3.84Å; V184-Y204 HydrophobicContact CG1-CD1 3.58Å; V184-Y204 HydrophobicContact CG1-CD2 3.97Å; V184-Y204 HydrophobicContact CG1-CE1 3.82Å; V184-Y204 HydrophobicContact CG1-CE2 4.23Å; V184-Y204 HydrophobicContact CG1-CG 3.64Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 4.49Å; V184-L266 HydrophobicContact CB-CD1 4.1Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.09Å; V184-F279 HydrophobicContact CG1-CE2 4.14Å; V184-I281 PolarHBondContact N-O 2.81Å; V184-I281 PolarHBondContact O-N 2.99Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.32Å
185E83.9Confident71Confident65 Ų6578.1 Ų78.130%0.30442%0.424SS..EExtended strand (participates in β ladder)trans-124.5150.5-174.2-63.6179.8-135.500109.8V171 Y204 F279 R280V171-E185 WeakPolarHBondContact CG1-O 3.47Å; E185-Y204 PolarHBondContact O-OH 2.63Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; E185-R280 HydrophobicContact CG-CG 4.16Å; E185-R280 IonicContact OE1-CZ 2.74Å; E185-R280 IonicContact OE1-NH1 2.72Å; E185-R280 PolarHBondContact OE1-NH1 2.98Å; E185-R280 IonicContact OE1-NH2 2.75Å; E185-R280 PolarHBondContact OE1-NH2 2.8Å; E185-R280 IonicContact OE2-CZ 3.84Å; E185-R280 IonicContact OE2-NH1 3.17Å; E185-R280 PolarHBondContact OE2-NH1 2.69Å
186S77Confident69.6Low27 Ų2781 Ų8119%0.18944%0.444CS..PPolyproline II helixtrans-64144.4172.645.90000111.7D188 G278 F279S186-D188 PolarHBondContact O-N 2.92Å; S186-G278 WeakPolarHBondContact OG-CA 2.9Å; S186-F279 PolarHBondContact N-O 2.85Å; S186-F279 VanDerWaalsContact N-O 3.11Å; S186-F279 PolarHBondContact OG-N 3.12Å; S186-F279 VanDerWaalsContact OG-N 3.16Å
187P71.6Confident68.2Low24 Ų2482 Ų8216%0.15645%0.448CS..PPolyproline II helixtrans-68125.2-174.1-21.634.4000114.8V171 C173 L200 Y204V171-P187 HydrophobicContact CG1-CB 4.42Å; V171-P187 HydrophobicContact CG1-CG 4.45Å; C173-P187 HydrophobicContact CB-CG 4.3Å; P187-L200 HydrophobicContact CG-CD2 4.23Å; P187-Y204 WeakPolarHBondContact CD-OH 3.45Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å
188D60.3Low66.7Low111 Ų11183.6 Ų83.659%0.59447%0.471SS*.PPolyproline II helixtrans-69.8132176.9-77.2-46.7000113.5S186S186-D188 PolarHBondContact O-N 2.92Å
189L54.7Low65.6Low53 Ų5383.9 Ų83.928%0.27747%0.466SS..THydrogen-bonded Turntrans-968.9-168.8-105.9151.9000115.7S191 V273 P274L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 2.82Å; L189-V273 HydrophobicContact CD1-CG1 3.64Å; L189-V273 HydrophobicContact CD2-CG1 4.12Å; L189-V273 HydrophobicContact CG-CG1 4.47Å; L189-P274 HydrophobicContact CD1-CG 4.43Å
190E50.5Low65.1Low183 Ų18379.6 Ų79.686%0.85545%0.446SS*.THydrogen-bonded Turntrans-74.9-16.2171.7-60.9-142.8132.600112.9
191S48.9Very low65Low48 Ų4880.8 Ų80.834%0.33645%0.445SS..SBendtrans-62.3130.4174.3-178.90000112L189 A193L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 2.82Å; S191-A193 PolarHBondContact O-N 2.92Å; S191-A193 VanDerWaalsContact O-N 3.09Å
192P46.5Very low64.7Low117 Ų11774.4 Ų74.476%0.7642%0.415SS*.THydrogen-bonded Turntrans-68.7-9.5-176.127.6-35.3000114.4
193A50.2Low64.5Low71 Ų7175.6 Ų75.659%0.58742%0.42SS*.THydrogen-bonded Turntrans-76.7-30.2-178.800000114.1S191 R195S191-A193 PolarHBondContact O-N 2.92Å; S191-A193 VanDerWaalsContact O-N 3.09Å; A193-R195 PolarHBondContact O-N 2.69Å
194S49.4Very low64.4Low44 Ų4470.4 Ų70.431%0.30840%0.399SS..SBendtrans-86.32.6-165.7-54.30000115.3T196S194-T196 PolarHBondContact O-N 3.17Å
195R48.5Very low64.4Low195 Ų19571.4 Ų71.474%0.73641%0.406SS*.THydrogen-bonded Turntrans-82.612.7-172.1-59.8-172.7-176.8-172.81.8115.1A193A193-R195 PolarHBondContact O-N 2.69Å
196T49.3Very low64.7Low122 Ų12268.3 Ų68.375%0.74839%0.391SS*.THydrogen-bonded Turntrans-126.1-8.7-17250.80000115.1S194S194-T196 PolarHBondContact O-N 3.17Å
197L53.8Low65.2Low123 Ų12369.6 Ų69.664%0.64439%0.394SS*.  trans-108.1127.1174-72.891.1000110.2L199L197-L199 VanDerWaalsContact C-N 3.34Å
198G54.1Low65.9Low59 Ų5968.9 Ų68.961%0.60839%0.39SS*.SBendtrans-85.8-1.3179.100000114.8P271G198-P271 CarbonylContact O-C 3.37Å; G198-P271 VanDerWaalsContact O-O 3.05Å
199L61.8Low67Low90 Ų9071.5 Ų71.547%0.47139%0.392SS..  trans-140.3131.6177.9-177.4143.1000108.3L197 D201 P271L197-L199 VanDerWaalsContact C-N 3.34Å; L199-D201 HydrophobicContact CD2-CB 4.17Å; L199-P271 HydrophobicContact CD1-CB 4.47Å
200L73Confident68.1Low41 Ų4172.6 Ų72.622%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-108.2123.7178.9-153.780.9000108.4P187 F268 Q269 S270P187-L200 HydrophobicContact CG-CD2 4.23Å; L200-F268 HydrophobicContact CD2-CE1 4.18Å; L200-Q269 WeakPolarHBondContact O-CA 3.36Å; L200-S270 PolarHBondContact N-O 2.92Å; L200-S270 PolarHBondContact O-N 2.73Å
201D78.5Confident69.3Low61 Ų6164 Ų6433%0.32636%0.363SS..EExtended strand (participates in β ladder)trans-130.9108.4176.3-170.3-53.7000107.6C173 L199 H267 Q269C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.33Å; L199-D201 HydrophobicContact CD2-CB 4.17Å; D201-H267 IonicContact OD1-CE1 3.97Å; D201-H267 PolarHBondContact OD1-CE1 2.75Å; D201-H267 IonicContact OD1-ND1 2.69Å; D201-H267 IonicContact OD2-CE1 3.71Å; D201-H267 PolarHBondContact OD2-CE1 2.72Å; D201-Q269 PolarHBondContact OD2-NE2 2.88Å
202C81.8Confident70.9Confident0 Ų066.3 Ų66.30%037%0.365CS..EExtended strand (participates in β ladder)trans-126.9120-172-61.30000110.9C173 Y204 F268C173-C202 HydrophobicContact CB-CB 4.09Å; C173-C202 WeakPolarHBondContact CB-SG 3.24Å; C173-C202 WeakPolarHBondContact SG-CA 3.34Å; C173-C202 WeakPolarHBondContact SG-CB 3.36Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 2.78Å; C202-Y204 HydrophobicContact CB-CE2 3.85Å; C202-F268 PolarHBondContact N-O 2.97Å; C202-F268 PolarHBondContact O-N 3.24Å
203T84.1Confident72.7Confident39 Ų3960.8 Ų60.824%0.23933%0.329CS..EExtended strand (participates in β ladder)trans-119.7104.5-176-61.50000109.4N174 L265 L266 H267N174-T203 WeakPolarHBondContact CA-O 3.16Å; N174-T203 PolarHBondContact OD1-N 3.29Å; T203-L265 HydrophobicContact CG2-CD1 3.5Å; T203-L265 HydrophobicContact CG2-CD2 4.03Å; T203-L265 HydrophobicContact CG2-CG 3.76Å; T203-L266 CarbonylContact C-O 3.59Å; T203-L266 WeakPolarHBondContact CA-O 3.37Å; T203-H267 PolarHBondContact OG1-ND1 3.24Å
204Y87.5Confident74.6Confident3 Ų357.4 Ų57.41%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-93.4121.3178.8-53.9-100.6000109.4N175 V184 E185 P187 C202 L265 L266 F279N175-Y204 HydrophobicContact CB-CD1 4.19Å; N175-Y204 WeakPolarHBondContact O-CA 3.44Å; V184-Y204 HydrophobicContact CG1-CD1 3.58Å; V184-Y204 HydrophobicContact CG1-CD2 3.97Å; V184-Y204 HydrophobicContact CG1-CE1 3.82Å; V184-Y204 HydrophobicContact CG1-CE2 4.23Å; V184-Y204 HydrophobicContact CG1-CG 3.64Å; E185-Y204 PolarHBondContact O-OH 2.63Å; P187-Y204 WeakPolarHBondContact CD-OH 3.45Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å; C202-Y204 HydrophobicContact CB-CE2 3.85Å; Y204-L265 CarbonylContact O-C 3.45Å; Y204-L265 WeakPolarHBondContact O-CA 3.47Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.9Å; Y204-L266 PolarHBondContact O-N 2.74Å; Y204-F279 HydrophobicContact CE2-CZ 4.06Å
205S87.6Confident76.5Confident23 Ų2356.2 Ų56.216%0.16129%0.291CS..EExtended strand (participates in β ladder)trans-101.3121.7173.657.40000110.5N175 N176 I177N175-S205 PolarHBondContact O-N 3.22Å; N176-S205 CarbonylContact C-O 3.4Å; N176-S205 WeakPolarHBondContact CA-O 3.43Å; N176-S205 WeakPolarHBondContact CA-OG 3.3Å; N176-S205 WeakPolarHBondContact CB-OG 3.39Å; N176-S205 VanDerWaalsContact CG-OG 3.31Å; N176-S205 PolarHBondContact OD1-O 2.88Å; N176-S205 PolarHBondContact OD1-OG 2.74Å; I177-S205 PolarHBondContact N-O 3.38Å
206I88.7Confident78.6Confident0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-106.7128.1176.9-51173.3000107.8I177 V184 I214 R263 L264 L266 Y283I177-I206 HydrophobicContact CB-CG1 4.44Å; I177-I206 HydrophobicContact CD1-CG1 4.5Å; I177-I206 CarbonylContact O-C 3.59Å; I177-I206 WeakPolarHBondContact O-CA 3.4Å; V184-I206 HydrophobicContact CG2-CD1 3.9Å; V184-I206 HydrophobicContact CG2-CG1 4.49Å; I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.76Å; I206-I214 HydrophobicContact CG2-CG1 4.14Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.22Å; I206-I214 WeakPolarHBondContact O-CD1 3.41Å; I206-R263 WeakPolarHBondContact O-CA 3.04Å; I206-L264 HydrophobicContact CB-CB 4.36Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.83Å; I206-L266 HydrophobicContact CD1-CD1 4.13Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.33Å; I206-Y283 HydrophobicContact CD1-CG 3.91Å; I206-Y283 HydrophobicContact CG2-CD2 3.7Å; I206-Y283 HydrophobicContact CG2-CE2 3.75Å; I206-Y283 HydrophobicContact CG2-CG 4.34Å
207H87.5Confident80.6Confident54 Ų5444.9 Ų44.925%0.2524%0.238CC..EExtended strand (participates in β ladder)trans-136.4103.2-170.7-73.54.6000111.3I177 S178 N262I177-H207 PolarHBondContact O-N 3.19Å; S178-H207 WeakPolarHBondContact CA-O 3.46Å; H207-N262 WeakPolarHBondContact CA-O 3.19Å
208V87Confident82.3Confident9 Ų939.1 Ų39.16%0.05521%0.207CC..PPolyproline II helixtrans-97.9171.6179-59.70000111.9I214 N262 A285V208-I214 HydrophobicContact CB-CG1 4.32Å; V208-I214 HydrophobicContact CG1-CD1 4.2Å; V208-I214 HydrophobicContact CG1-CG1 3.65Å; V208-I214 HydrophobicContact CG2-CD1 4.17Å; V208-I214 HydrophobicContact CG2-CG1 3.73Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.8Å; V208-N262 PolarHBondContact O-ND2 2.87Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.03Å
209Y83.9Confident83.8Confident166 Ų16639.6 Ų39.665%0.65119%0.194SC*.PPolyproline II helixtrans-56.8144.8179.8-58.4-74.4000112.6Y212Y209-Y212 WeakPolarHBondContact O-CB 3.06Å; Y209-Y212 PolarHBondContact O-N 2.81Å
210P78.2Confident84.8Confident76 Ų7638.4 Ų38.449%0.49419%0.19SC..THydrogen-bonded Turntrans-56.1139.9173.4-23.834.2000111.6Y212P210-Y212 VanDerWaalsContact C-N 3.31Å
211G74.2Confident85.3Confident2 Ų238 Ų382%0.02119%0.188CC..THydrogen-bonded Turntrans86.2-9-169.500000114.9L288 G333G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 2.97Å; G211-G333 PolarHBondContact N-O 3.34Å
212Y82.8Confident85.4Confident98 Ų9839.8 Ų39.838%0.38420%0.198SC..EExtended strand (participates in β ladder)trans-109.9152169.8-66-100.6000110.8Y209 P210 N262 A285 Y286 L287 L288Y209-Y212 WeakPolarHBondContact O-CB 3.06Å; Y209-Y212 PolarHBondContact O-N 2.81Å; P210-Y212 VanDerWaalsContact C-N 3.31Å; Y212-N262 WeakPolarHBondContact O-CA 3.46Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.02Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; Y212-Y286 CarbonylContact C-O 3.44Å; Y212-Y286 VanDerWaalsContact CA-O 3.27Å; Y212-Y286 WeakPolarHBondContact CA-O 3.44Å; Y212-Y286 WeakPolarHBondContact CB-O 3.4Å; Y212-L287 HydrophobicContact CD1-CD1 4.05Å; Y212-L287 HydrophobicContact CD2-CD1 4.36Å; Y212-L287 HydrophobicContact CE1-CB 4.43Å; Y212-L287 HydrophobicContact CE1-CD1 3.68Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.38Å; Y212-L288 VanDerWaalsContact O-CD1 3.27Å; Y212-L288 WeakPolarHBondContact O-CD1 3.22Å
213G85.6Confident85.2Confident0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-117.8170.5174.400000109.4A285 Y286G213-A285 CarbonylContact O-C 3.59Å; G213-A285 WeakPolarHBondContact O-CA 3.41Å; G213-Y286 VanDerWaalsContact C-CD1 3.46Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.16Å; G213-Y286 PolarHBondContact O-N 2.99Å
214I89.4Confident84.7Confident0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-110.4114.4-176.8-63.3148.8000108.5I206 V208 I216 S259 L264 Y283I206-I214 HydrophobicContact CB-CD1 3.97Å; I206-I214 HydrophobicContact CG2-CD1 3.76Å; I206-I214 HydrophobicContact CG2-CG1 4.14Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.22Å; I206-I214 WeakPolarHBondContact O-CD1 3.41Å; V208-I214 HydrophobicContact CB-CG1 4.32Å; V208-I214 HydrophobicContact CG1-CD1 4.2Å; V208-I214 HydrophobicContact CG1-CG1 3.65Å; V208-I214 HydrophobicContact CG2-CD1 4.17Å; V208-I214 HydrophobicContact CG2-CG1 3.73Å; I214-I216 HydrophobicContact CG2-CG2 4.12Å; I214-S259 VanDerWaalsContact O-CB 3.29Å; I214-S259 WeakPolarHBondContact O-CB 3.28Å; I214-S259 PolarHBondContact O-N 3.03Å; I214-L264 HydrophobicContact CB-CB 4.11Å; I214-L264 HydrophobicContact CB-CD2 4.29Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.1Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å
215E89.9Confident83.7Confident19 Ų1952.6 Ų52.69%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-87.2138.2165-176.6173.274.200108V256 L257 R258 Y283 Q284 Y286E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.4Å; E215-L257 CarbonylContact C-O 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.45Å; E215-R258 HydrophobicContact CB-CG 4.22Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 2.71Å; E215-R258 IonicContact OE2-NE 2.76Å; E215-R258 PolarHBondContact OE2-NE 2.71Å; E215-R258 IonicContact OE2-NH2 3.18Å; E215-R258 PolarHBondContact OE2-NH2 2.76Å; E215-Y283 CarbonylContact O-C 3.55Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.46Å; E215-Q284 HydrophobicContact CB-CG 4.15Å; E215-Q284 PolarHBondContact N-O 3.49Å; E215-Q284 PolarHBondContact O-N 3.44Å; E215-Q284 PolarHBondContact OE1-NE2 3.26Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å
216I91.6Very high82.8Confident1 Ų155.7 Ų55.71%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-119.8144.116960.4168.4000110.4I214 V231 V256 L257 L264 L266 I281 H282I214-I216 HydrophobicContact CG2-CG2 4.12Å; I216-V231 HydrophobicContact CD1-CG1 3.74Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; I216-V256 CarbonylContact O-C 3.46Å; I216-V256 VanDerWaalsContact O-CA 3.31Å; I216-V256 WeakPolarHBondContact O-CA 3.36Å; I216-L257 HydrophobicContact CD1-CB 4.31Å; I216-L257 HydrophobicContact CD1-CD1 4.28Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 2.95Å; I216-L257 PolarHBondContact O-N 2.85Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.45Å; I216-L264 HydrophobicContact CG2-CD2 3.38Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.88Å; I216-H282 CarbonylContact C-O 3.57Å; I216-H282 VanDerWaalsContact CA-O 3.29Å; I216-H282 WeakPolarHBondContact CA-O 3.02Å
217Q90.8Very high82.3Confident79 Ų7956.3 Ų56.337%0.36928%0.278SS..EExtended strand (participates in β ladder)trans-123.6121171.2-178-177.321.900108.4Q219 Q255 V256 H282Q217-Q219 PolarHBondContact O-N 3.12Å; Q217-Q255 WeakPolarHBondContact CA-O 3.49Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.1Å; Q217-H282 HydrophobicContact CB-CB 4.4Å; Q217-H282 PolarHBondContact N-O 3.16Å; Q217-H282 PolarHBondContact O-N 2.98Å
218V89.5Confident82Confident1 Ų157.9 Ų57.91%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-72.7114.2175-178.70000108.3L221 L251 G252 G254 Q255V218-L221 HydrophobicContact CG1-CB 3.74Å; V218-L221 HydrophobicContact CG1-CD2 4.41Å; V218-L221 HydrophobicContact CG1-CG 4.45Å; V218-L251 HydrophobicContact CG2-CD2 3.93Å; V218-G252 VanDerWaalsContact CB-O 3.31Å; V218-G252 WeakPolarHBondContact CB-O 3.45Å; V218-G252 WeakPolarHBondContact CG1-O 3.15Å; V218-G254 PolarHBondContact O-N 3.47Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.82Å
219Q86.8Confident81.9Confident70 Ų7057.4 Ų57.433%0.32728%0.283SS..EExtended strand (participates in β ladder)trans-90.2-46.4177.6-66.2-166.7-39.700111.6Q217 R280 H282Q217-Q219 PolarHBondContact O-N 3.12Å; Q219-R280 WeakPolarHBondContact CA-O 3.26Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.46Å; Q219-R280 PolarHBondContact N-O 2.78Å; Q219-H282 HydrophobicContact CG-CB 4.07Å
220T82Confident82Confident64 Ų6451 Ų5139%0.39326%0.26SS..EExtended strand (participates in β ladder)trans-137.4146.1170.965.20000111.1E253 F279 R280T220-E253 WeakPolarHBondContact CA-OE1 3.42Å; T220-F279 WeakPolarHBondContact O-CA 3.42Å; T220-R280 PolarHBondContact N-O 3.28Å; T220-R280 VanDerWaalsContact N-O 3.15Å; T220-R280 PolarHBondContact O-N 3.35Å; T220-R280 VanDerWaalsContact OG1-CB 3.23Å; T220-R280 WeakPolarHBondContact OG1-CB 3.33Å; T220-R280 PolarHBondContact OG1-N 2.93Å
221L84.9Confident82.4Confident33 Ų3347.4 Ų47.417%0.17324%0.236CC..EExtended strand (participates in β ladder)trans-149.686.6-177.5-170.473.9000111.6V218 L223 L229 L251 E253 F279V218-L221 HydrophobicContact CG1-CB 3.74Å; V218-L221 HydrophobicContact CG1-CD2 4.41Å; V218-L221 HydrophobicContact CG1-CG 4.45Å; L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.46Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L221-L229 HydrophobicContact CD1-CD2 3.92Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.08Å; L221-E253 HydrophobicContact CB-CG 4.14Å; L221-E253 PolarHBondContact N-OE1 2.88Å; L221-F279 HydrophobicContact CD1-CB 4.07Å
222N80.3Confident83Confident99 Ų9948.5 Ų48.553%0.52924%0.241SC..EExtended strand (participates in β ladder)trans-111.877.9177.6-17519000109.9G276 G277 G278N222-G276 PolarHBondContact ND2-O 3.39Å; N222-G276 VanDerWaalsContact ND2-O 3.11Å; N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.28Å; N222-G278 PolarHBondContact N-O 2.93Å; N222-G278 PolarHBondContact O-N 3.08Å
223L77.8Confident82.9Confident38 Ų3843.9 Ų43.920%0.19922%0.223CC..  trans-100.1141.1179.4-58.6-175.5000111.3L221 E227 L229 F268 F279L221-L223 HydrophobicContact CD1-CD1 3.82Å; L221-L223 HydrophobicContact CD1-CG 3.9Å; L221-L223 HydrophobicContact CG-CD1 4.46Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L223-E227 HydrophobicContact CB-CB 4.41Å; L223-L229 HydrophobicContact CD1-CB 3.7Å; L223-L229 HydrophobicContact CD1-CD2 4.31Å; L223-F268 HydrophobicContact CD2-CE2 3.88Å; L223-F279 HydrophobicContact CD2-CD1 4.4Å
224S72.7Confident82.1Confident63 Ų6344.5 Ų44.544%0.44123%0.229SC..  trans-82.6165.6172.870.30000112.6E226 E227S224-E226 PolarHBondContact O-N 2.04Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.07Å; S224-E227 PolarHBondContact N-OE2 3.3Å; S224-E227 PolarHBondContact O-N 3.03Å; S224-E227 VanDerWaalsContact OG-CD 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-OE2 2.9Å
225Q67.3Low80.8Confident209 Ų20945.1 Ų45.198%0.97724%0.236SC*.THydrogen-bonded Turntrans-64.1-9.8-178-68.2-176.1-800114.9
226E69.1Low79.1Confident88 Ų8845.1 Ų45.141%0.41124%0.241SC..THydrogen-bonded Turntrans-103.61.4176.1-62.5-178-170.600112.4S224 P271 R272S224-E226 PolarHBondContact O-N 2.04Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.28Å; E226-P271 VanDerWaalsContact O-CG 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.48Å; E226-R272 IonicContact OE1-CZ 3.05Å; E226-R272 IonicContact OE1-NH1 2.72Å; E226-R272 PolarHBondContact OE1-NH1 2.6Å; E226-R272 IonicContact OE1-NH2 2.76Å; E226-R272 PolarHBondContact OE1-NH2 3Å; E226-R272 IonicContact OE2-CZ 2.8Å; E226-R272 IonicContact OE2-NE 3.29Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH1 2.94Å; E226-R272 PolarHBondContact OE2-NH1 2.92Å; E226-R272 IonicContact OE2-NH2 2.95Å; E226-R272 PolarHBondContact OE2-NH2 3.47Å
227E76.9Confident77.2Confident14 Ų1448.8 Ų48.87%0.06527%0.267CS..  trans-108.7132.5-175.4-72.8172.4131.400112L223 S224 F268 Q269 S270 P274L223-E227 HydrophobicContact CB-CB 4.41Å; S224-E227 VanDerWaalsContact CB-OE2 3.27Å; S224-E227 WeakPolarHBondContact CB-OE2 3.07Å; S224-E227 PolarHBondContact N-OE2 3.3Å; S224-E227 PolarHBondContact O-N 3.03Å; S224-E227 VanDerWaalsContact OG-CD 3.25Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-OE2 2.9Å; E227-F268 HydrophobicContact CB-CE2 4.25Å; E227-Q269 WeakPolarHBondContact CA-O 3.36Å; E227-S270 VanDerWaalsContact CG-OG 3.3Å; E227-S270 WeakPolarHBondContact CG-OG 3.45Å; E227-S270 WeakPolarHBondContact OE1-CB 3.47Å; E227-S270 PolarHBondContact OE1-OG 2.78Å; E227-P274 WeakPolarHBondContact OE1-CG 3.45Å
228E81.5Confident75.1Confident86 Ų8651.8 Ų51.840%0.40229%0.293SS..EExtended strand (participates in β ladder)trans-118.2137.8-179.5-170.3167.3-145.700111.4L230 F268 Q269E228-L230 HydrophobicContact CG-CD2 3.88Å; E228-L230 HydrophobicContact CG-CG 4.05Å; E228-L230 WeakPolarHBondContact OE1-CD2 3.29Å; E228-F268 WeakPolarHBondContact O-CA 3.43Å; E228-F268 WeakPolarHBondContact O-CD2 3.3Å; E228-Q269 PolarHBondContact N-O 3.34Å; E228-Q269 PolarHBondContact O-N 2.95Å
229L85.4Confident73.4Confident0 Ų055.8 Ų55.80%033%0.334CS..EExtended strand (participates in β ladder)trans-130.2118.4174.5-179.361.6000108.9L221 L223 N247 S248 L251 H267 F268 F279 I281L221-L229 HydrophobicContact CD1-CD2 3.92Å; L223-L229 HydrophobicContact CD1-CB 3.7Å; L223-L229 HydrophobicContact CD1-CD2 4.31Å; L229-N247 CarbonylContact O-C 3.57Å; L229-S248 PolarHBondContact O-N 2.8Å; L229-L251 HydrophobicContact CB-CD1 4.43Å; L229-L251 HydrophobicContact CD2-CD1 4.02Å; L229-L251 HydrophobicContact CG-CD1 4.07Å; L229-H267 WeakPolarHBondContact CA-O 3.19Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.97Å; L229-F268 HydrophobicContact CD1-CD2 4.37Å; L229-F279 HydrophobicContact CD1-CE1 4.35Å; L229-F279 HydrophobicContact CD1-CZ 4.34Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.35Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; L229-I281 HydrophobicContact CD2-CD1 4.11Å
230L86.4Confident72Confident32 Ų3257.6 Ų57.617%0.16835%0.346CS..EExtended strand (participates in β ladder)trans-114.3128.8-178.4-58.8-177.3000110.8E228 L232 L244 N247 H267E228-L230 HydrophobicContact CG-CD2 3.88Å; E228-L230 HydrophobicContact CG-CG 4.05Å; E228-L230 WeakPolarHBondContact OE1-CD2 3.29Å; L230-L232 HydrophobicContact CB-CD1 4.22Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L230-L244 HydrophobicContact CB-CD1 4.16Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L230-N247 HydrophobicContact CD2-CB 3.7Å; L230-H267 HydrophobicContact CB-CB 4.42Å; L230-H267 PolarHBondContact N-O 2.88Å; L230-H267 PolarHBondContact O-N 2.87Å
231V86.6Confident70.9Confident0 Ų058.4 Ų58.40%036%0.359CS..EExtended strand (participates in β ladder)trans-100.6117174.4-176.30000108.5I216 L245 A246 L251 L257 L264 L266I216-V231 HydrophobicContact CD1-CG1 3.74Å; I216-V231 HydrophobicContact CD1-CG2 3.92Å; V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.11Å; V231-L245 HydrophobicContact CG1-CD1 4.21Å; V231-L245 PolarHBondContact O-N 2.86Å; V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.34Å; V231-A246 PolarHBondContact O-N 2.84Å; V231-L251 HydrophobicContact CG2-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; V231-L257 HydrophobicContact CG2-CD1 4.43Å; V231-L264 HydrophobicContact CG1-CD1 3.71Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.48Å; V231-L266 HydrophobicContact CB-CD2 4.3Å; V231-L266 HydrophobicContact CG1-CD2 4.07Å; V231-L266 HydrophobicContact CG2-CD2 3.88Å
232L85.4Confident70.3Confident25 Ų2560 Ų6013%0.13137%0.371CS..EExtended strand (participates in β ladder)trans-128116-166.6-78.3161.4000111L230 G234 P242 R243 L244 L265 H267L230-L232 HydrophobicContact CB-CD1 4.22Å; L230-L232 HydrophobicContact CB-CG 4.4Å; L232-G234 PolarHBondContact O-N 2.87Å; L232-P242 HydrophobicContact CB-CB 4.2Å; L232-P242 HydrophobicContact CD2-CB 4.14Å; L232-P242 HydrophobicContact CD2-CG 4.32Å; L232-R243 CarbonylContact C-O 3.34Å; L232-L244 HydrophobicContact CD2-CB 4.23Å; L232-L244 HydrophobicContact CD2-CD1 4.1Å; L232-L244 HydrophobicContact CG-CD1 4.38Å; L232-L265 HydrophobicContact CB-CB 3.97Å; L232-L265 HydrophobicContact CB-CD2 4.48Å; L232-L265 WeakPolarHBondContact CB-O 3.41Å; L232-L265 HydrophobicContact CD1-CD2 4.3Å; L232-L265 PolarHBondContact N-O 3.43Å; L232-L265 WeakPolarHBondContact O-CB 3.47Å; L232-L265 PolarHBondContact O-N 3.15Å; L232-H267 HydrophobicContact CD1-CB 4.25Å
233A80.4Confident70.2Confident0 Ų062 Ų620%037%0.372CS..EExtended strand (participates in β ladder)trans-69.6124.8173.300000110.5P242 R243 L245 P260A233-P242 VanDerWaalsContact O-CA 3.32Å; A233-P242 WeakPolarHBondContact O-CA 3.3Å; A233-R243 HydrophobicContact CB-CB 4.44Å; A233-R243 PolarHBondContact N-O 3.49Å; A233-R243 PolarHBondContact O-N 3.26Å; A233-L245 HydrophobicContact CB-CD1 4.01Å; A233-L245 HydrophobicContact CB-CD2 4Å; A233-L245 HydrophobicContact CB-CG 3.99Å; A233-P260 HydrophobicContact CB-CG 4.43Å
234G69.7Low70.5Confident13 Ų1364.4 Ų64.413%0.13438%0.384CS..PPolyproline II helixtrans-65.8134.7176.700000111.4L232 T261 R263L232-G234 PolarHBondContact O-N 2.87Å; G234-T261 WeakPolarHBondContact O-CG2 3.34Å; G234-T261 PolarHBondContact O-OG1 2.91Å; G234-R263 PolarHBondContact N-O 2.89Å
235G60.9Low70.9Confident14 Ų1463.3 Ų63.314%0.14437%0.373CS..PPolyproline II helixtrans-59.9134.3176.400000111.9S237G235-S237 PolarHBondContact O-N 2.98Å
236G54.4Low71.6Confident18 Ų1853.5 Ų53.519%0.18633%0.327CS..SBendtrans-70.1-14.5-177.200000114.9T334G236-T334 WeakPolarHBondContact CA-OG1 3.36Å; G236-T334 PolarHBondContact O-OG1 2.04Å
237S53.4Low72.3Confident78 Ų7851 Ų5155%0.54532%0.317SS..SBendtrans-132.1146.1-178-51.40000110.1G235 G239 L240G235-S237 PolarHBondContact O-N 2.98Å; S237-G239 PolarHBondContact O-N 2.9Å; S237-L240 PolarHBondContact O-N 2.81Å
238P45.2Very low72.3Confident142 Ų14252.2 Ų52.292%0.92233%0.327SS*.THydrogen-bonded Turntrans-62.7125.7179.126.5-34.1000111
239G53.4Low72.1Confident85 Ų8552.8 Ų52.888%0.87634%0.34SS*.THydrogen-bonded Turntrans100.9-8179.500000115.7S237S237-G239 PolarHBondContact O-N 2.9Å
240L57.6Low71.7Confident109 Ų10958.5 Ų58.557%0.57137%0.368SS*.PPolyproline II helixtrans-82.9129.2172.4-151.779000110.6S237S237-L240 PolarHBondContact O-N 2.81Å
241A60.5Low71.3Confident81 Ų8157.7 Ų57.767%0.66936%0.364SS*.PPolyproline II helixtrans-60.8145.7178.700000112.1
242P70.7Confident71.1Confident65 Ų6559 Ų5942%0.42238%0.378SS..PPolyproline II helixtrans-66142.3177.628.5-34.7000111.2L232 A233L232-P242 HydrophobicContact CB-CB 4.2Å; L232-P242 HydrophobicContact CD2-CB 4.14Å; L232-P242 HydrophobicContact CD2-CG 4.32Å; A233-P242 VanDerWaalsContact O-CA 3.32Å; A233-P242 WeakPolarHBondContact O-CA 3.3Å
243R79.6Confident71Confident143 Ų14364 Ų6454%0.5440%0.401SS..EExtended strand (participates in β ladder)trans-96.8122.3-178.9-167.7-173.479.4176.66.2110.2L232 A233 L245L232-R243 CarbonylContact C-O 3.34Å; A233-R243 HydrophobicContact CB-CB 4.44Å; A233-R243 PolarHBondContact N-O 3.49Å; A233-R243 PolarHBondContact O-N 3.26Å; R243-L245 PolarHBondContact O-N 3.18Å
244L82.5Confident71Confident87 Ų8766.3 Ų66.346%0.45542%0.424SS..EExtended strand (participates in β ladder)trans-57.5133.1172.4-169.267.4000110.4L230 L232 A246L230-L244 HydrophobicContact CB-CD1 4.16Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L232-L244 HydrophobicContact CD2-CB 4.23Å; L232-L244 HydrophobicContact CD2-CD1 4.1Å; L232-L244 HydrophobicContact CG-CD1 4.38Å; L244-A246 WeakPolarHBondContact CD1-O 3.38Å
245L82.6Confident71.7Confident41 Ų4169.8 Ų69.822%0.21544%0.437CS..EExtended strand (participates in β ladder)trans-108.2-40.8173.3-61.4-176.7000111.2V231 A233 R243 L264V231-L245 HydrophobicContact CB-CB 4.43Å; V231-L245 HydrophobicContact CG1-CB 4.11Å; V231-L245 HydrophobicContact CG1-CD1 4.21Å; V231-L245 PolarHBondContact O-N 2.86Å; A233-L245 HydrophobicContact CB-CD1 4.01Å; A233-L245 HydrophobicContact CB-CD2 4Å; A233-L245 HydrophobicContact CB-CG 3.99Å; R243-L245 PolarHBondContact O-N 3.18Å; L245-L264 HydrophobicContact CD1-CD1 4.01Å
246A81.6Confident72.9Confident2 Ų272 Ų722%0.01745%0.447CS..EExtended strand (participates in β ladder)trans-155.9153.9175.400000110.8V231 L244 M250 L251 L257V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.41Å; V231-A246 PolarHBondContact N-O 3.34Å; V231-A246 PolarHBondContact O-N 2.84Å; L244-A246 WeakPolarHBondContact CD1-O 3.38Å; A246-M250 HydrophobicContact CB-CB 4.06Å; A246-L251 HydrophobicContact CB-CD2 4.03Å; A246-L251 HydrophobicContact CB-CG 4.19Å; A246-L257 HydrophobicContact CB-CD1 3.48Å; A246-L257 VanDerWaalsContact CB-CD1 3.48Å
247N84.2Confident74.4Confident35 Ų3572.8 Ų72.819%0.18745%0.447CS..  trans-113.1178.7167.274.1-19.6000110.4L229 L230 S249 M250 L251L229-N247 CarbonylContact O-C 3.57Å; L230-N247 HydrophobicContact CD2-CB 3.7Å; N247-S249 VanDerWaalsContact CG-OG 3.23Å; N247-S249 PolarHBondContact ND2-OG 3.05Å; N247-S249 PolarHBondContact O-N 3.41Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.94Å; N247-S249 PolarHBondContact OD1-OG 2.89Å; N247-M250 PolarHBondContact O-N 2.85Å; N247-M250 VanDerWaalsContact OD1-CG 3.32Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 3.35Å; N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3Å
248S76.6Confident76Confident41 Ų4176.4 Ų76.429%0.28745%0.449SS..G310 helixtrans-54.2-33.1-179.751.40000114.2L229 M250L229-S248 PolarHBondContact O-N 2.8Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.87Å
249S77.3Confident77.9Confident97 Ų9769.7 Ų69.768%0.67841%0.405SS*.G310 helixtrans-76.6-11.2176.356.40000115.5N247N247-S249 VanDerWaalsContact CG-OG 3.23Å; N247-S249 PolarHBondContact ND2-OG 3.05Å; N247-S249 PolarHBondContact O-N 3.41Å; N247-S249 VanDerWaalsContact O-N 3.14Å; N247-S249 PolarHBondContact OD1-N 2.94Å; N247-S249 PolarHBondContact OD1-OG 2.89Å
250M75.6Confident79.2Confident120 Ų12067.5 Ų67.559%0.59138%0.376SS*.G310 helixtrans-106.5-0.6177.1-65.2172.7-160.800112.6A246 N247 S248A246-M250 HydrophobicContact CB-CB 4.06Å; N247-M250 PolarHBondContact O-N 2.85Å; N247-M250 VanDerWaalsContact OD1-CG 3.32Å; N247-M250 WeakPolarHBondContact OD1-CG 3.19Å; N247-M250 PolarHBondContact OD1-N 3.35Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M250 PolarHBondContact O-N 2.87Å
251L78.9Confident80.5Confident16 Ų1662.3 Ų62.38%0.08435%0.349CS..  trans-101.6138.9178.1-65.7166.2000109.2V218 L221 L229 V231 A246 N247 L257V218-L251 HydrophobicContact CG2-CD2 3.93Å; L221-L251 VanDerWaalsContact CD2-C 3.45Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.08Å; L229-L251 HydrophobicContact CB-CD1 4.43Å; L229-L251 HydrophobicContact CD2-CD1 4.02Å; L229-L251 HydrophobicContact CG-CD1 4.07Å; V231-L251 HydrophobicContact CG2-CD1 4.05Å; V231-L251 HydrophobicContact CG2-CD2 4.03Å; A246-L251 HydrophobicContact CB-CD2 4.03Å; A246-L251 HydrophobicContact CB-CG 4.19Å; N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3Å; L251-L257 HydrophobicContact CD2-CD1 3.58Å
252G82.5Confident81.7Confident28 Ų2859 Ų5929%0.28932%0.32SS..  trans-154.2161.2176.100000109.9V218 G254 Q255V218-G252 VanDerWaalsContact CB-O 3.31Å; V218-G252 WeakPolarHBondContact CB-O 3.45Å; V218-G252 WeakPolarHBondContact CG1-O 3.15Å; G252-G254 PolarHBondContact O-N 2.88Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 2.8Å
253E83.4Confident82.5Confident130 Ų13061.1 Ų61.161%0.60732%0.319SS*.THydrogen-bonded Turntrans-64.3133.7-178-58.8-172.2153.800110.8T220 L221 Q255T220-E253 WeakPolarHBondContact CA-OE1 3.42Å; L221-E253 HydrophobicContact CB-CG 4.14Å; L221-E253 PolarHBondContact N-OE1 2.88Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 3.33Å
254G80.3Confident82.9Confident47 Ų4754.4 Ų54.449%0.48529%0.294SS..THydrogen-bonded Turntrans82.8-9.6-170.200000115.4V218 G252 V256V218-G254 PolarHBondContact O-N 3.47Å; G252-G254 PolarHBondContact O-N 2.88Å; G254-V256 PolarHBondContact O-N 2.9Å
255Q84.7Confident83.2Confident87 Ų8752.4 Ų52.441%0.40728%0.284SS..  trans-64.5130.5179.6-175.361.744.400111.4Q217 V218 G252 E253 L257Q217-Q255 WeakPolarHBondContact CA-O 3.49Å; V218-Q255 HydrophobicContact CG2-CB 4.37Å; V218-Q255 PolarHBondContact N-O 2.82Å; G252-Q255 WeakPolarHBondContact O-CB 3.43Å; G252-Q255 PolarHBondContact O-N 2.8Å; E253-Q255 VanDerWaalsContact C-N 3.3Å; E253-Q255 PolarHBondContact O-N 3.33Å; Q255-L257 HydrophobicContact CG-CG 4.39Å
256V86.9Confident83.5Confident60 Ų6050.5 Ų50.536%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-106.7138174.7-178.40000110.1E215 I216 Q217 G254E215-V256 HydrophobicContact CG-CG1 3.57Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.4Å; I216-V256 CarbonylContact O-C 3.46Å; I216-V256 VanDerWaalsContact O-CA 3.31Å; I216-V256 WeakPolarHBondContact O-CA 3.36Å; Q217-V256 HydrophobicContact CB-CG2 4.29Å; Q217-V256 HydrophobicContact CG-CG2 4.1Å; G254-V256 PolarHBondContact O-N 2.9Å
257L85.6Confident83.8Confident34 Ų3452.4 Ų52.418%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-137.6137.9176.8-65.4170.8000110.4E215 I216 V231 A246 L251 Q255E215-L257 CarbonylContact C-O 3.55Å; E215-L257 WeakPolarHBondContact CA-O 3.45Å; I216-L257 HydrophobicContact CD1-CB 4.31Å; I216-L257 HydrophobicContact CD1-CD1 4.28Å; I216-L257 HydrophobicContact CG1-CB 3.83Å; I216-L257 PolarHBondContact N-O 2.95Å; I216-L257 PolarHBondContact O-N 2.85Å; V231-L257 HydrophobicContact CG2-CD1 4.43Å; A246-L257 HydrophobicContact CB-CD1 3.48Å; A246-L257 VanDerWaalsContact CB-CD1 3.48Å; L251-L257 HydrophobicContact CD2-CD1 3.58Å; Q255-L257 HydrophobicContact CG-CG 4.39Å
258R86.9Confident83.9Confident154 Ų15450.9 Ų50.958%0.58127%0.274SS*.EExtended strand (participates in β ladder)trans-111.1121.7179.8-71.2-177.6-179.9-172.7-6.6111.5E215 Y286E215-R258 HydrophobicContact CB-CG 4.22Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 2.71Å; E215-R258 IonicContact OE2-NE 2.76Å; E215-R258 PolarHBondContact OE2-NE 2.71Å; E215-R258 IonicContact OE2-NH2 3.18Å; E215-R258 PolarHBondContact OE2-NH2 2.76Å; R258-Y286 HydrophobicContact CB-CE1 3.82Å; R258-Y286 HydrophobicContact CG-CD1 4.42Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å
259S84.5Confident84.2Confident1 Ų152.3 Ų52.31%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-76.3121172-171.60000110.5I214 T261 R263 Y286I214-S259 VanDerWaalsContact O-CB 3.29Å; I214-S259 WeakPolarHBondContact O-CB 3.28Å; I214-S259 PolarHBondContact O-N 3.03Å; S259-T261 PolarHBondContact O-N 2.9Å; S259-T261 PolarHBondContact OG-O 2.87Å; S259-R263 PolarHBondContact OG-O 3.34Å; S259-Y286 PolarHBondContact O-OH 2.92Å
260P80.7Confident84.1Confident39 Ų3947.8 Ų47.825%0.25324%0.244SC..SBendtrans-74.517.3178.136-39.4000112.8A233A233-P260 HydrophobicContact CB-CG 4.43Å
261T85.7Confident83.7Confident1 Ų144.7 Ų44.71%0.00623%0.233CC..SBendtrans-143.1158.6175.164.10000110.9G234 S259 R263 T334 R335G234-T261 WeakPolarHBondContact O-CG2 3.34Å; G234-T261 PolarHBondContact O-OG1 2.91Å; S259-T261 PolarHBondContact O-N 2.9Å; S259-T261 PolarHBondContact OG-O 2.87Å; T261-R263 PolarHBondContact O-N 2.92Å; T261-R263 PolarHBondContact OG1-O 2.88Å; T261-T334 WeakPolarHBondContact CA-O 3.39Å; T261-T334 VanDerWaalsContact CB-O 3.32Å; T261-T334 WeakPolarHBondContact CB-O 3.44Å; T261-R335 HydrophobicContact CG2-CG 3.66Å
262N85.4Confident82.9Confident12 Ų1251.5 Ų51.56%0.06426%0.258CS..SBendtrans-67.99.9174.183-51.1000114.5H207 V208 Y212 T334H207-N262 WeakPolarHBondContact CA-O 3.19Å; V208-N262 HydrophobicContact CG2-CB 3.94Å; V208-N262 PolarHBondContact N-O 2.8Å; V208-N262 PolarHBondContact O-ND2 2.87Å; Y212-N262 WeakPolarHBondContact O-CA 3.46Å; Y212-N262 WeakPolarHBondContact O-CB 3.47Å; Y212-N262 PolarHBondContact O-N 3.02Å; N262-T334 PolarHBondContact N-O 3.06Å; N262-T334 WeakPolarHBondContact OD1-CA 3.37Å; N262-T334 WeakPolarHBondContact OD1-CB 3.39Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.36Å
263R87.1Confident81.7Confident108 Ų10854.2 Ų54.241%0.40827%0.268SS..EExtended strand (participates in β ladder)trans-134.5122.1-178.4-65.7-172.4166.9172.7-4.7110.5I206 G234 S259 T261I206-R263 WeakPolarHBondContact O-CA 3.04Å; G234-R263 PolarHBondContact N-O 2.89Å; S259-R263 PolarHBondContact OG-O 3.34Å; T261-R263 PolarHBondContact O-N 2.92Å; T261-R263 PolarHBondContact OG1-O 2.88Å
264L88.3Confident80.4Confident2 Ų249.6 Ų49.61%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-118.2148.3171.6-171.159.1000109.1I206 I214 I216 V231 L245 L266I206-L264 HydrophobicContact CB-CB 4.36Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.83Å; I214-L264 HydrophobicContact CB-CB 4.11Å; I214-L264 HydrophobicContact CB-CD2 4.29Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.1Å; I214-L264 HydrophobicContact CG2-CD2 3.65Å; I216-L264 HydrophobicContact CD1-CD2 4.33Å; I216-L264 HydrophobicContact CG1-CD2 4.45Å; I216-L264 HydrophobicContact CG2-CD2 3.38Å; V231-L264 HydrophobicContact CG1-CD1 3.71Å; V231-L264 HydrophobicContact CG1-CD2 4.48Å; V231-L264 HydrophobicContact CG1-CG 4.48Å; L245-L264 HydrophobicContact CD1-CD1 4.01Å; L264-L266 HydrophobicContact CD2-CD2 4.3Å; L264-L266 HydrophobicContact CG-CD2 4.37Å
265L89Confident79.1Confident46 Ų4659 Ų5924%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-128.9124.2176.4-164.876.5000107.5T203 Y204 L232T203-L265 HydrophobicContact CG2-CD1 3.5Å; T203-L265 HydrophobicContact CG2-CD2 4.03Å; T203-L265 HydrophobicContact CG2-CG 3.76Å; Y204-L265 CarbonylContact O-C 3.45Å; Y204-L265 WeakPolarHBondContact O-CA 3.47Å; L232-L265 HydrophobicContact CB-CB 3.97Å; L232-L265 HydrophobicContact CB-CD2 4.48Å; L232-L265 WeakPolarHBondContact CB-O 3.41Å; L232-L265 HydrophobicContact CD1-CD2 4.3Å; L232-L265 PolarHBondContact N-O 3.43Å; L232-L265 WeakPolarHBondContact O-CB 3.47Å; L232-L265 PolarHBondContact O-N 3.15Å
266L88.3Confident77.7Confident0 Ų058.2 Ų58.20%029%0.286CS..EExtended strand (participates in β ladder)trans-109112.8173.6-56.9175.7000107.1V184 T203 Y204 I206 I216 V231 L264 I281V184-L266 HydrophobicContact CB-CD1 4.1Å; V184-L266 HydrophobicContact CG1-CD1 4.15Å; V184-L266 HydrophobicContact CG2-CD1 4.09Å; T203-L266 CarbonylContact C-O 3.59Å; T203-L266 WeakPolarHBondContact CA-O 3.37Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.9Å; Y204-L266 PolarHBondContact O-N 2.74Å; I206-L266 HydrophobicContact CD1-CD1 4.13Å; I216-L266 HydrophobicContact CD1-CD2 4.21Å; V231-L266 HydrophobicContact CB-CD2 4.3Å; V231-L266 HydrophobicContact CG1-CD2 4.07Å; V231-L266 HydrophobicContact CG2-CD2 3.88Å; L264-L266 HydrophobicContact CD2-CD2 4.3Å; L264-L266 HydrophobicContact CG-CD2 4.37Å; L266-I281 HydrophobicContact CD1-CD1 4.24Å; L266-I281 HydrophobicContact CD1-CG2 4.49Å
267H87.6Confident76.6Confident42 Ų4256.3 Ų56.319%0.19428%0.278CS..EExtended strand (participates in β ladder)trans-109.3117.9-179.5176.676.1000109.1D201 T203 L229 L230 L232D201-H267 IonicContact OD1-CE1 3.97Å; D201-H267 PolarHBondContact OD1-CE1 2.75Å; D201-H267 IonicContact OD1-ND1 2.69Å; D201-H267 IonicContact OD2-CE1 3.71Å; D201-H267 PolarHBondContact OD2-CE1 2.72Å; T203-H267 PolarHBondContact OG1-ND1 3.24Å; L229-H267 WeakPolarHBondContact CA-O 3.19Å; L230-H267 HydrophobicContact CB-CB 4.42Å; L230-H267 PolarHBondContact N-O 2.88Å; L230-H267 PolarHBondContact O-N 2.87Å; L232-H267 HydrophobicContact CD1-CB 4.25Å
268F86Confident76.1Confident3 Ų355.3 Ų55.31%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-117.9126.1-177.7175.2-116.9000110.1L200 C202 L223 E227 E228 L229 F279L200-F268 HydrophobicContact CD2-CE1 4.18Å; C202-F268 PolarHBondContact N-O 2.97Å; C202-F268 PolarHBondContact O-N 3.24Å; L223-F268 HydrophobicContact CD2-CE2 3.88Å; E227-F268 HydrophobicContact CB-CE2 4.25Å; E228-F268 WeakPolarHBondContact O-CA 3.43Å; E228-F268 WeakPolarHBondContact O-CD2 3.3Å; L229-F268 HydrophobicContact CB-CD2 4.4Å; L229-F268 HydrophobicContact CD1-CB 3.97Å; L229-F268 HydrophobicContact CD1-CD2 4.37Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.34Å; F268-F279 AromaticContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD2-CD1 4.24Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.37Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 HydrophobicContact CG-CD1 4.47Å; F268-F279 AromaticContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CZ 4.42Å
269Q82.7Confident75.9Confident72 Ų7248.2 Ų48.234%0.33625%0.25SC..EExtended strand (participates in β ladder)trans-125.7128178.1-168.2170.996.700110.6L200 D201 E227 E228L200-Q269 WeakPolarHBondContact O-CA 3.36Å; D201-Q269 PolarHBondContact OD2-NE2 2.88Å; E227-Q269 WeakPolarHBondContact CA-O 3.36Å; E228-Q269 PolarHBondContact N-O 3.34Å; E228-Q269 PolarHBondContact O-N 2.95Å
270S75.9Confident76.1Confident2 Ų251.6 Ų51.61%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-132.5116.5176.9-173.80000110.5L200 E227 R272L200-S270 PolarHBondContact N-O 2.92Å; L200-S270 PolarHBondContact O-N 2.73Å; E227-S270 VanDerWaalsContact CG-OG 3.3Å; E227-S270 WeakPolarHBondContact CG-OG 3.45Å; E227-S270 WeakPolarHBondContact OE1-CB 3.47Å; E227-S270 PolarHBondContact OE1-OG 2.78Å; S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-R272 PolarHBondContact OG-O 2.91Å; S270-R272 VanDerWaalsContact OG-O 3.07Å
271P67.2Low76.5Confident55 Ų5549.7 Ų49.736%0.35725%0.25SS..SBendtrans-85.79.3-174.635.5-37.2000113.7G198 L199 E226G198-P271 CarbonylContact O-C 3.37Å; G198-P271 VanDerWaalsContact O-O 3.05Å; L199-P271 HydrophobicContact CD1-CB 4.47Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.28Å; E226-P271 VanDerWaalsContact O-CG 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.48Å
272R63.2Low76.8Confident158 Ų15850.9 Ų50.960%0.59626%0.256SS*.SBendtrans-146.6171.2174.1-63.8-170.2-174.813019.8109.4E226 S270 P274E226-R272 IonicContact OE1-CZ 3.05Å; E226-R272 IonicContact OE1-NH1 2.72Å; E226-R272 PolarHBondContact OE1-NH1 2.6Å; E226-R272 IonicContact OE1-NH2 2.76Å; E226-R272 PolarHBondContact OE1-NH2 3Å; E226-R272 IonicContact OE2-CZ 2.8Å; E226-R272 IonicContact OE2-NE 3.29Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH1 2.94Å; E226-R272 PolarHBondContact OE2-NH1 2.92Å; E226-R272 IonicContact OE2-NH2 2.95Å; E226-R272 PolarHBondContact OE2-NH2 3.47Å; S270-R272 VanDerWaalsContact C-N 3.26Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-R272 PolarHBondContact OG-O 2.91Å; S270-R272 VanDerWaalsContact OG-O 3.07Å; R272-P274 VanDerWaalsContact O-CD 3.26Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å
273V56.8Low77.1Confident85 Ų8550.4 Ų50.452%0.51525%0.253SS..  trans-69.3117.6170.3-177.40000108.9L189L189-V273 HydrophobicContact CD1-CG1 3.64Å; L189-V273 HydrophobicContact CD2-CG1 4.12Å; L189-V273 HydrophobicContact CG-CG1 4.47Å
274P55.2Low77.3Confident33 Ų3348.9 Ų48.921%0.21425%0.25CS..  trans-57137180-2634.4000112.4L189 E227 R272L189-P274 HydrophobicContact CD1-CG 4.43Å; E227-P274 WeakPolarHBondContact OE1-CG 3.45Å; R272-P274 VanDerWaalsContact O-CD 3.26Å; R272-P274 WeakPolarHBondContact O-CD 3.34Å
275R52.6Low77.4Confident245 Ų24550.5 Ų50.593%0.92526%0.264SS*.SBendtrans-110.668.3-179.6-72.2-172.9173.7-176.2-1.3111.4G277R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.94Å
276G55.2Low77.2Confident70 Ų7050.7 Ų50.772%0.72226%0.262SS*.SBendtrans787.4179.700000114.9N222N222-G276 PolarHBondContact ND2-O 3.39Å; N222-G276 VanDerWaalsContact ND2-O 3.11Å
277G63.8Low76.9Confident20 Ų2053.8 Ų53.821%0.20628%0.278CS..  trans-82.6153160.700000110.9N222 R275N222-G277 CarbonylContact O-C 3.48Å; N222-G277 WeakPolarHBondContact O-CA 3.28Å; R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 2.94Å
278G75.1Confident76.5Confident14 Ų1452.3 Ų52.314%0.14427%0.272CS..EExtended strand (participates in β ladder)trans176.7173.1-175.500000112.2S186 N222S186-G278 WeakPolarHBondContact OG-CA 2.9Å; N222-G278 PolarHBondContact N-O 2.93Å; N222-G278 PolarHBondContact O-N 3.08Å
279F84.3Confident76.4Confident4 Ų454.8 Ų54.82%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-137.4148.1178.366.9-93.1000111.4V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281V184-F279 HydrophobicContact CG1-CE2 4.14Å; E185-F279 WeakPolarHBondContact CA-O 3.45Å; S186-F279 PolarHBondContact N-O 2.85Å; S186-F279 VanDerWaalsContact N-O 3.11Å; S186-F279 PolarHBondContact OG-N 3.12Å; S186-F279 VanDerWaalsContact OG-N 3.16Å; Y204-F279 HydrophobicContact CE2-CZ 4.06Å; T220-F279 WeakPolarHBondContact O-CA 3.42Å; L221-F279 HydrophobicContact CD1-CB 4.07Å; L223-F279 HydrophobicContact CD2-CD1 4.4Å; L229-F279 HydrophobicContact CD1-CE1 4.35Å; L229-F279 HydrophobicContact CD1-CZ 4.34Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.27Å; L229-F279 HydrophobicContact CD2-CD2 4.35Å; L229-F279 HydrophobicContact CD2-CG 4.08Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.34Å; F268-F279 AromaticContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD1-CE1 3.94Å; F268-F279 HydrophobicContact CD2-CD1 4.24Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.37Å; F268-F279 HydrophobicContact CE2-CD1 4.4Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 HydrophobicContact CG-CD1 4.47Å; F268-F279 AromaticContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CE1 3.63Å; F268-F279 HydrophobicContact CG-CZ 4.42Å; F279-I281 HydrophobicContact CD2-CD1 4.02Å; F279-I281 HydrophobicContact CD2-CG1 4.15Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å
280R87.2Confident76.4Confident72 Ų7251.6 Ų51.627%0.27228%0.275SS..EExtended strand (participates in β ladder)trans-128.7115.2170.8-174.1-179-167.48127.7108.6Y183 E185 Q219 T220Y183-R280 HydrophobicContact CD1-CG 4.47Å; Y183-R280 VanDerWaalsContact CG-NH2 3.3Å; E185-R280 HydrophobicContact CG-CG 4.16Å; E185-R280 IonicContact OE1-CZ 2.74Å; E185-R280 IonicContact OE1-NH1 2.72Å; E185-R280 PolarHBondContact OE1-NH1 2.98Å; E185-R280 IonicContact OE1-NH2 2.75Å; E185-R280 PolarHBondContact OE1-NH2 2.8Å; E185-R280 IonicContact OE2-CZ 3.84Å; E185-R280 IonicContact OE2-NH1 3.17Å; E185-R280 PolarHBondContact OE2-NH1 2.69Å; Q219-R280 WeakPolarHBondContact CA-O 3.26Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.15Å; Q219-R280 WeakPolarHBondContact CB-O 3.46Å; Q219-R280 PolarHBondContact N-O 2.78Å; T220-R280 PolarHBondContact N-O 3.28Å; T220-R280 VanDerWaalsContact N-O 3.15Å; T220-R280 PolarHBondContact O-N 3.35Å; T220-R280 VanDerWaalsContact OG1-CB 3.23Å; T220-R280 WeakPolarHBondContact OG1-CB 3.33Å; T220-R280 PolarHBondContact OG1-N 2.93Å
281I89.5Confident76.7Confident0 Ų054.2 Ų54.20%030%0.302CS..EExtended strand (participates in β ladder)trans-115.8118.5178-69.3172.7000108.3Y183 V184 I216 L229 L266 F279Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.4Å; V184-I281 PolarHBondContact N-O 2.81Å; V184-I281 PolarHBondContact O-N 2.99Å; I216-I281 HydrophobicContact CB-CG2 3.69Å; I216-I281 HydrophobicContact CD1-CG2 4.35Å; I216-I281 HydrophobicContact CG2-CG2 3.88Å; L229-I281 HydrophobicContact CD2-CD1 4.11Å; L266-I281 HydrophobicContact CD1-CD1 4.24Å; L266-I281 HydrophobicContact CD1-CG2 4.49Å; F279-I281 HydrophobicContact CD2-CD1 4.02Å; F279-I281 HydrophobicContact CD2-CG1 4.15Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å
282H92.3Very high77.3Confident26 Ų2657.4 Ų57.412%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-75.9140.4164-177.8-122.8000108.6G182 Y183 I216 Q217 Q219G182-H282 WeakPolarHBondContact O-CA 3.31Å; G182-H282 PolarHBondContact O-CD2 2.87Å; Y183-H282 HydrophobicContact CD1-CB 3.99Å; Y183-H282 AromaticContact CD1-CD2 3.93Å; Y183-H282 HydrophobicContact CE1-CB 3.75Å; Y183-H282 AromaticContact CE1-CD2 3.38Å; Y183-H282 WeakPolarHBondContact CE1-CD2 2.97Å; Y183-H282 AromaticContact CE1-CG 3.84Å; Y183-H282 AromaticContact CZ-CD2 3.57Å; I216-H282 CarbonylContact C-O 3.57Å; I216-H282 VanDerWaalsContact CA-O 3.29Å; I216-H282 WeakPolarHBondContact CA-O 3.02Å; Q217-H282 HydrophobicContact CB-CB 4.4Å; Q217-H282 PolarHBondContact N-O 3.16Å; Q217-H282 PolarHBondContact O-N 2.98Å; Q219-H282 HydrophobicContact CG-CB 4.07Å
283Y92.3Very high78.3Confident2 Ų250 Ų501%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-130.6145.3172.276.6-88.2000110.3I177 E181 G182 V184 I206 I214 E215I177-Y283 HydrophobicContact CG2-CE1 4.11Å; I177-Y283 HydrophobicContact CG2-CE2 4.38Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.09Å; E181-Y283 CarbonylContact C-O 3.59Å; E181-Y283 VanDerWaalsContact CA-O 3.28Å; E181-Y283 WeakPolarHBondContact CA-O 3.32Å; E181-Y283 PolarHBondContact O-OH 3.13Å; G182-Y283 VanDerWaalsContact C-CD1 3.41Å; G182-Y283 VanDerWaalsContact CA-CE1 3.48Å; G182-Y283 PolarHBondContact N-O 2.9Å; G182-Y283 VanDerWaalsContact O-CD1 3.23Å; G182-Y283 WeakPolarHBondContact O-CD1 3.44Å; G182-Y283 PolarHBondContact O-N 3.25Å; V184-Y283 HydrophobicContact CG2-CD1 4.03Å; V184-Y283 HydrophobicContact CG2-CE1 4.32Å; I206-Y283 HydrophobicContact CD1-CD1 4.1Å; I206-Y283 HydrophobicContact CD1-CD2 4.33Å; I206-Y283 HydrophobicContact CD1-CG 3.91Å; I206-Y283 HydrophobicContact CG2-CD2 3.7Å; I206-Y283 HydrophobicContact CG2-CE2 3.75Å; I206-Y283 HydrophobicContact CG2-CG 4.34Å; I214-Y283 HydrophobicContact CG2-CD2 4.48Å; E215-Y283 CarbonylContact O-C 3.55Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.46Å
284Q91.6Very high79.5Confident75 Ų7550 Ų5035%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-145.4146.6176.663.3-175.44.800111.8G180 E181 E215 Y286G180-Q284 CarbonylContact O-C 3.45Å; E181-Q284 HydrophobicContact CB-CB 4.44Å; E215-Q284 HydrophobicContact CB-CG 4.15Å; E215-Q284 PolarHBondContact N-O 3.49Å; E215-Q284 PolarHBondContact O-N 3.44Å; E215-Q284 PolarHBondContact OE1-NE2 3.26Å; Q284-Y286 PolarHBondContact O-N 2.91Å
285A89Confident80.7Confident36 Ų3656.9 Ų56.930%0.29831%0.306SS..EExtended strand (participates in β ladder)trans-75.2121.3175.500000110.2G180 V208 Y212 G213G180-A285 VanDerWaalsContact O-CB 3.3Å; G180-A285 WeakPolarHBondContact O-CB 3.02Å; G180-A285 PolarHBondContact O-N 2.67Å; V208-A285 HydrophobicContact CB-CB 4.36Å; V208-A285 HydrophobicContact CG1-CB 4.03Å; Y212-A285 HydrophobicContact CD1-CB 4.29Å; G213-A285 CarbonylContact O-C 3.59Å; G213-A285 WeakPolarHBondContact O-CA 3.41Å
286Y85.1Confident82.3Confident50 Ų5046.1 Ų46.120%0.19627%0.268CS..EExtended strand (participates in β ladder)trans-110.2153.317081.7-87.1000109.9Y212 G213 E215 R258 S259 Q284 L288Y212-Y286 CarbonylContact C-O 3.44Å; Y212-Y286 VanDerWaalsContact CA-O 3.27Å; Y212-Y286 WeakPolarHBondContact CA-O 3.44Å; Y212-Y286 WeakPolarHBondContact CB-O 3.4Å; G213-Y286 VanDerWaalsContact C-CD1 3.46Å; G213-Y286 PolarHBondContact N-O 2.91Å; G213-Y286 WeakPolarHBondContact O-CD1 3.16Å; G213-Y286 PolarHBondContact O-N 2.99Å; E215-Y286 HydrophobicContact CB-CD1 3.91Å; R258-Y286 HydrophobicContact CB-CE1 3.82Å; R258-Y286 HydrophobicContact CG-CD1 4.42Å; R258-Y286 HydrophobicContact CG-CE1 4.01Å; S259-Y286 PolarHBondContact O-OH 2.92Å; Q284-Y286 PolarHBondContact O-N 2.91Å; Y286-L288 HydrophobicContact CE2-CD2 3.94Å; Y286-L288 PolarHBondContact O-N 2.98Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.46Å
287L82.2Confident83.3Confident66 Ų6646.2 Ų46.235%0.34626%0.262SS..EExtended strand (participates in β ladder)trans-74.3126.5-179.2-164.460.3000110Y212 H307Y212-L287 HydrophobicContact CD1-CD1 4.05Å; Y212-L287 HydrophobicContact CD2-CD1 4.36Å; Y212-L287 HydrophobicContact CE1-CB 4.43Å; Y212-L287 HydrophobicContact CE1-CD1 3.68Å; Y212-L287 HydrophobicContact CE2-CD1 4Å; Y212-L287 HydrophobicContact CG-CD1 4.38Å; L287-H307 HydrophobicContact CD2-CB 3.87Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.46Å; L287-H307 HydrophobicContact CG-CB 4.3Å; L287-H307 VanDerWaalsContact CG-CD2 3.48Å; L287-H307 WeakPolarHBondContact CG-CD2 3.19Å
288L80.4Confident84.2Confident11 Ų1148.5 Ų48.56%0.05827%0.267CS..  trans-82140.5172.1-73.3167.1000109.4G211 Y212 Y286 P308 P336G211-L288 WeakPolarHBondContact O-CB 3.45Å; G211-L288 PolarHBondContact O-N 2.97Å; Y212-L288 VanDerWaalsContact O-CD1 3.27Å; Y212-L288 WeakPolarHBondContact O-CD1 3.22Å; Y286-L288 HydrophobicContact CE2-CD2 3.94Å; Y286-L288 PolarHBondContact O-N 2.98Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.46Å; L288-P308 WeakPolarHBondContact O-CD 3.27Å; L288-P336 HydrophobicContact CB-CG 3.64Å
289S83Confident84.7Confident55 Ų5548.5 Ų48.539%0.38527%0.267SS..  trans-109.8150.5174.5-32.30000110L306 H307S289-L306 CarbonylContact C-O 3.46Å; S289-L306 VanDerWaalsContact CA-O 3.32Å; S289-L306 WeakPolarHBondContact CA-O 3.46Å; S289-H307 PolarHBondContact OG-CD2 3.01Å; S289-H307 PolarHBondContact OG-NE2 3.37Å
290C83.2Confident84.7Confident5 Ų552.2 Ų52.23%0.03429%0.287CS..PPolyproline II helixtrans-60.3150159.6-75.40000110L306 C330 S337 W338C290-L306 PolarHBondContact N-O 2.63Å; C290-C330 HydrophobicContact CB-CB 3.91Å; C290-C330 WeakPolarHBondContact CB-SG 3.41Å; C290-C330 WeakPolarHBondContact SG-CA 3Å; C290-C330 WeakPolarHBondContact SG-CB 3.41Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.4Å; C290-S337 VanDerWaalsContact SG-C 3.5Å; C290-S337 PolarHBondContact SG-N 3.37Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CH2 4.48Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å
291G80.7Confident84.8Confident56 Ų5649 Ų4958%0.57728%0.276SS*.PPolyproline II helixtrans-63.1140.3168.500000110.3W338G291-W338 PolarHBondContact O-NE1 3.49Å
292F81.2Confident84.6Confident122 Ų12251.8 Ų51.854%0.53530%0.295SS..PPolyproline II helixtrans-56125.4176-167.5-83.1000109.2V301 V303 L306F292-V301 HydrophobicContact CE1-CG1 3.83Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; F292-V303 HydrophobicContact CD2-CG2 4.36Å; F292-V303 HydrophobicContact CE2-CB 4.3Å; F292-V303 HydrophobicContact CE2-CG2 3.72Å; F292-V303 HydrophobicContact CZ-CG2 3.92Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.08Å
293P84.2Confident84.3Confident3 Ų352.4 Ų52.42%0.01930%0.3CS..PPolyproline II helixtrans-65.2141.8-174.926-33000110.4R295 V301 V303 A312 F314 W338 T342P293-R295 PolarHBondContact O-N 2.77Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.89Å; P293-V303 HydrophobicContact CG-CG2 4.05Å; P293-A312 HydrophobicContact CG-CB 3.9Å; P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.85Å; P293-F314 HydrophobicContact CG-CZ 4.21Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; P293-T342 HydrophobicContact CB-CG2 4.27Å
294P81.5Confident83.9Confident85 Ų8557.2 Ų57.255%0.55233%0.33SS*.PPolyproline II helixtrans-60.4137.4173.726.3-33.7000109.7T342P294-T342 HydrophobicContact CG-CG2 3.92Å
295R80.8Confident83.2Confident177 Ų17757 Ų5767%0.66833%0.332SS*.PPolyproline II helixtrans-64.9135.2170.3-74.8-179.1-69.8-161.2-0.1109.2P293 D300 V301P293-R295 PolarHBondContact O-N 2.77Å; R295-D300 WeakPolarHBondContact CD-OD1 3.44Å; R295-D300 WeakPolarHBondContact CG-OD1 3.38Å; R295-V301 HydrophobicContact CG-CG1 3.92Å
296P85.3Confident82.8Confident19 Ų1957.6 Ų57.612%0.12333%0.329CS..PPolyproline II helixtrans-64.2156.6173.928.9-33.5000110.1H298 F314P296-H298 PolarHBondContact O-N 3.42Å; P296-F314 HydrophobicContact CG-CD1 4.43Å
297A77.6Confident82.6Confident72 Ų7257.8 Ų57.860%0.59533%0.332SS*.THydrogen-bonded Turntrans-65.7133.9166.300000108.7C345A297-C345 WeakPolarHBondContact O-CB 3.2Å
298H81.9Confident82.7Confident69 Ų6956.7 Ų56.732%0.31933%0.329SS..THydrogen-bonded Turntrans58.544.6-178.5-40.9-63.6000114P296 D317 Y320 C345 E365P296-H298 PolarHBondContact O-N 3.42Å; H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.3Å; H298-D317 PolarHBondContact O-N 2.87Å; H298-Y320 HydrophobicContact CB-CD1 3.74Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.54Å; H298-Y320 HydrophobicContact CB-CE2 3.62Å; H298-Y320 HydrophobicContact CB-CG 3.88Å; H298-Y320 VanDerWaalsContact CB-CZ 3.46Å; H298-Y320 AromaticContact CD2-CE1 3.24Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.37Å; H298-Y320 AromaticContact CD2-CZ 3.5Å; H298-Y320 VanDerWaalsContact CD2-CZ 3.5Å; H298-Y320 PolarHBondContact CD2-OH 2.91Å; H298-Y320 PolarHBondContact CE1-OH 3.43Å; H298-Y320 AromaticContact CG-CE1 3.46Å; H298-Y320 VanDerWaalsContact CG-CE1 3.46Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.32Å; H298-Y320 AromaticContact ND1-CZ 3.85Å; H298-Y320 PolarHBondContact ND1-OH 2.04Å; H298-Y320 PolarHBondContact NE2-OH 2.93Å; H298-C345 WeakPolarHBondContact O-CB 3.48Å; H298-E365 IonicContact CD2-OE1 3.54Å; H298-E365 IonicContact CE1-OE1 3.13Å; H298-E365 IonicContact NE2-OE1 3.27Å; H298-E365 PolarHBondContact NE2-OE1 3.35Å
299G85.4Confident82.9Confident13 Ų1358.9 Ų58.913%0.13435%0.354CS..EExtended strand (participates in β ladder)trans-174.9-177.7173.400000113H315 D317G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.39Å; G299-D317 PolarHBondContact N-OD2 3.02Å
300D83.9Confident83Confident83 Ų8356.6 Ų56.644%0.44434%0.339SS..EExtended strand (participates in β ladder)trans-137.3167.4-178.7-164.725.2000112.2R295 H315R295-D300 WeakPolarHBondContact CD-OD1 3.44Å; R295-D300 WeakPolarHBondContact CG-OD1 3.38Å; D300-H315 PolarHBondContact N-O 2.04Å; D300-H315 PolarHBondContact O-N 2.99Å
301V89Confident83.4Confident5 Ų558.3 Ų58.33%0.0335%0.349CS..EExtended strand (participates in β ladder)trans-130.5115.1179.165.80000111.2F292 P293 R295 V303 A312 F314F292-V301 HydrophobicContact CE1-CG1 3.83Å; F292-V301 HydrophobicContact CZ-CG1 4.11Å; P293-V301 HydrophobicContact CG-CG1 4.01Å; P293-V301 HydrophobicContact CG-CG2 3.89Å; R295-V301 HydrophobicContact CG-CG1 3.92Å; V301-V303 HydrophobicContact CG2-CG2 4.18Å; V301-A312 HydrophobicContact CG2-CB 3.92Å; V301-F314 HydrophobicContact CB-CD1 3.81Å; V301-F314 HydrophobicContact CB-CE1 3.83Å; V301-F314 HydrophobicContact CB-CG 4.45Å; V301-F314 HydrophobicContact CB-CZ 4.47Å; V301-F314 HydrophobicContact CG2-CD1 3.67Å; V301-F314 HydrophobicContact CG2-CD2 4.15Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.97Å; V301-F314 HydrophobicContact CG2-CG 4Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å
302S86.8Confident83.8Confident57 Ų5755.6 Ų55.640%0.39932%0.322SS..EExtended strand (participates in β ladder)trans-90.6127.7170.564.40000109.6T313 H315S302-T313 PolarHBondContact N-O 2.89Å; S302-T313 PolarHBondContact O-N 3.4Å; S302-T313 PolarHBondContact O-OG1 2.79Å; S302-T313 VanDerWaalsContact O-OG1 3.14Å; S302-T313 PolarHBondContact OG-OG1 2.95Å; S302-H315 PolarHBondContact OG-CE1 2.79Å
303V84.8Confident84.3Confident39 Ų3951.3 Ų51.324%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-114.7128.1-176.2-174.50000109.1F292 P293 V301 D305 L306 T311 A312 W338F292-V303 HydrophobicContact CD2-CG2 4.36Å; F292-V303 HydrophobicContact CE2-CB 4.3Å; F292-V303 HydrophobicContact CE2-CG2 3.72Å; F292-V303 HydrophobicContact CZ-CG2 3.92Å; P293-V303 HydrophobicContact CG-CG2 4.05Å; V301-V303 HydrophobicContact CG2-CG2 4.18Å; V303-D305 WeakPolarHBondContact CG1-O 3.07Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.22Å; V303-T311 WeakPolarHBondContact CA-O 3.5Å; V303-A312 HydrophobicContact CG2-CB 4.02Å; V303-W338 HydrophobicContact CG1-CH2 4.39Å
304T84.5Confident84.7Confident103 Ų10351.3 Ų51.363%0.63231%0.305SS*.SBendtrans-79.5-45.717957.20000111.6T311T304-T311 WeakPolarHBondContact CG2-OG1 3.06Å; T304-T311 PolarHBondContact N-O 2.84Å; T304-T311 PolarHBondContact OG1-N 2.92Å; T304-T311 PolarHBondContact OG1-O 2.87Å; T304-T311 VanDerWaalsContact OG1-O 3.08Å; T304-T311 PolarHBondContact OG1-OG1 2.86Å
305D77.1Confident85.1Confident72 Ų7251.9 Ų51.939%0.38530%0.3SS..  trans-153.9153169.5-164.1-4.2000109.5V303 H307 G310V303-D305 WeakPolarHBondContact CG1-O 3.07Å; D305-H307 IonicContact OD1-CE1 2.73Å; D305-H307 PolarHBondContact OD1-CE1 3.33Å; D305-H307 IonicContact OD1-CG 2.9Å; D305-H307 PolarHBondContact OD1-N 3.3Å; D305-H307 VanDerWaalsContact OD1-N 3.15Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-H307 PolarHBondContact OD1-ND1 3.09Å; D305-H307 IonicContact OD2-CG 3.11Å; D305-H307 IonicContact OD2-ND1 3.7Å; D305-H307 PolarHBondContact OD2-ND1 2.91Å; D305-G310 CarbonylContact O-C 3.59Å; D305-G310 WeakPolarHBondContact O-CA 3.36Å
306L79.9Confident85.5Confident47 Ų4745.2 Ų45.225%0.24628%0.28CS..SBendtrans-92.7-11172.1-65.4170.8000112.5S289 C290 F292 V303 C330 W338S289-L306 CarbonylContact C-O 3.46Å; S289-L306 VanDerWaalsContact CA-O 3.32Å; S289-L306 WeakPolarHBondContact CA-O 3.46Å; C290-L306 PolarHBondContact N-O 2.63Å; F292-L306 HydrophobicContact CB-CD2 4.35Å; F292-L306 HydrophobicContact CD2-CD1 4.28Å; F292-L306 HydrophobicContact CD2-CD2 4.08Å; V303-L306 HydrophobicContact CG1-CD2 3.83Å; V303-L306 HydrophobicContact CG1-CG 4.22Å; L306-C330 PolarHBondContact O-SG 2.96Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; L306-W338 HydrophobicContact CD2-CZ2 3.99Å
307H81.6Confident85.5Confident55 Ų5547.8 Ų47.826%0.25529%0.293SS..SBendtrans-73.4162.5176.1-55.9113.1000112.5L287 S289 D305 G309 G310 C330L287-H307 HydrophobicContact CD2-CB 3.87Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.46Å; L287-H307 HydrophobicContact CG-CB 4.3Å; L287-H307 VanDerWaalsContact CG-CD2 3.48Å; L287-H307 WeakPolarHBondContact CG-CD2 3.19Å; S289-H307 PolarHBondContact OG-CD2 3.01Å; S289-H307 PolarHBondContact OG-NE2 3.37Å; D305-H307 IonicContact OD1-CE1 2.73Å; D305-H307 PolarHBondContact OD1-CE1 3.33Å; D305-H307 IonicContact OD1-CG 2.9Å; D305-H307 PolarHBondContact OD1-N 3.3Å; D305-H307 VanDerWaalsContact OD1-N 3.15Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-H307 PolarHBondContact OD1-ND1 3.09Å; D305-H307 IonicContact OD2-CG 3.11Å; D305-H307 IonicContact OD2-ND1 3.7Å; D305-H307 PolarHBondContact OD2-ND1 2.91Å; H307-G309 PolarHBondContact O-N 2.68Å; H307-G310 WeakPolarHBondContact O-CA 3.41Å; H307-G310 PolarHBondContact O-N 2.7Å; H307-C330 WeakPolarHBondContact O-CB 3.32Å
308P83.6Confident85.8Confident42 Ų4247.3 Ų47.327%0.27329%0.285SS..THydrogen-bonded Turntrans-59.3127.9-179.2-25.135.3000112.6L288 C330 N332 P336L288-P308 WeakPolarHBondContact O-CD 3.27Å; P308-C330 CarbonylContact C-O 3.47Å; P308-C330 WeakPolarHBondContact CA-O 3.03Å; P308-N332 HydrophobicContact CB-CB 3.81Å; P308-N332 HydrophobicContact CG-CB 4.42Å; P308-P336 HydrophobicContact CG-CB 4.37Å; P308-P336 HydrophobicContact CG-CG 4.11Å
309G84.4Confident85.7Confident57 Ų5745 Ų4559%0.58828%0.281SS*.THydrogen-bonded Turntrans95.4-15.5-169.200000114.4H307 C330H307-G309 PolarHBondContact O-N 2.68Å; G309-C330 PolarHBondContact N-O 2.79Å
310G85.4Confident85.7Confident7 Ų746.2 Ų46.27%0.07228%0.281CS..  trans-67.4153.8171.200000112.8D305 H307 C330D305-G310 CarbonylContact O-C 3.59Å; D305-G310 WeakPolarHBondContact O-CA 3.36Å; H307-G310 WeakPolarHBondContact O-CA 3.41Å; H307-G310 PolarHBondContact O-N 2.7Å; G310-C330 PolarHBondContact O-N 3.24Å
311T91.5Very high85.8Confident41 Ų4148.2 Ų48.225%0.25229%0.288SS..EExtended strand (participates in β ladder)trans-119.9143.7-174.962.80000112.5V303 T304 L328 I329V303-T311 WeakPolarHBondContact CA-O 3.5Å; T304-T311 WeakPolarHBondContact CG2-OG1 3.06Å; T304-T311 PolarHBondContact N-O 2.84Å; T304-T311 PolarHBondContact OG1-N 2.92Å; T304-T311 PolarHBondContact OG1-O 2.87Å; T304-T311 VanDerWaalsContact OG1-O 3.08Å; T304-T311 PolarHBondContact OG1-OG1 2.86Å; T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.17Å; T311-I329 HydrophobicContact CG2-CG1 4.29Å
312A88.8Confident85.8Confident0 Ų050.1 Ų50.10%030%0.298CS..EExtended strand (participates in β ladder)trans-115.6127.3169.100000108.8P293 V301 V303 F314 T327 L328 W338P293-A312 HydrophobicContact CG-CB 3.9Å; V301-A312 HydrophobicContact CG2-CB 3.92Å; V303-A312 HydrophobicContact CG2-CB 4.02Å; A312-F314 HydrophobicContact CB-CE2 4.01Å; A312-F314 HydrophobicContact CB-CZ 4.33Å; A312-T327 CarbonylContact O-C 3.57Å; A312-T327 WeakPolarHBondContact O-CA 3.46Å; A312-L328 PolarHBondContact N-O 3.01Å; A312-L328 PolarHBondContact O-N 2.97Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.28Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å
313T92.7Very high85.9Confident32 Ų3252.9 Ų52.920%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-120.5123.7-175.760.10000109.9S302 H315 E326 T327S302-T313 PolarHBondContact N-O 2.89Å; S302-T313 PolarHBondContact O-N 3.4Å; S302-T313 PolarHBondContact O-OG1 2.79Å; S302-T313 VanDerWaalsContact O-OG1 3.14Å; S302-T313 PolarHBondContact OG-OG1 2.95Å; T313-H315 PolarHBondContact O-ND1 3.36Å; T313-E326 WeakPolarHBondContact CA-O 3.41Å; T313-T327 HydrophobicContact CG2-CG2 3.75Å
314F92.4Very high86Confident3 Ų353.9 Ų53.91%0.01332%0.323CS..EExtended strand (participates in β ladder)trans-101.6130.9-167.5-65.3-97.4000111P293 P296 V301 A312 L322 E326 L328 T342 P343P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.85Å; P293-F314 HydrophobicContact CG-CZ 4.21Å; P296-F314 HydrophobicContact CG-CD1 4.43Å; V301-F314 HydrophobicContact CB-CD1 3.81Å; V301-F314 HydrophobicContact CB-CE1 3.83Å; V301-F314 HydrophobicContact CB-CG 4.45Å; V301-F314 HydrophobicContact CB-CZ 4.47Å; V301-F314 HydrophobicContact CG2-CD1 3.67Å; V301-F314 HydrophobicContact CG2-CD2 4.15Å; V301-F314 HydrophobicContact CG2-CE1 3.5Å; V301-F314 VanDerWaalsContact CG2-CE1 3.5Å; V301-F314 HydrophobicContact CG2-CE2 3.97Å; V301-F314 HydrophobicContact CG2-CG 4Å; V301-F314 HydrophobicContact CG2-CZ 3.65Å; A312-F314 HydrophobicContact CB-CE2 4.01Å; A312-F314 HydrophobicContact CB-CZ 4.33Å; F314-L322 HydrophobicContact CB-CD1 4.14Å; F314-L322 HydrophobicContact CB-CD2 4.36Å; F314-E326 PolarHBondContact N-O 2.85Å; F314-L328 HydrophobicContact CE2-CB 4.12Å; F314-L328 HydrophobicContact CE2-CD1 3.72Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.46Å; F314-T342 HydrophobicContact CE1-CG2 3.99Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; F314-P343 HydrophobicContact CB-CG 3.57Å; F314-P343 HydrophobicContact CD1-CG 3.8Å; F314-P343 HydrophobicContact CD2-CG 3.82Å; F314-P343 HydrophobicContact CE1-CG 4.45Å; F314-P343 HydrophobicContact CE2-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å
315H90Very high86.3Confident97 Ų9755.2 Ų55.245%0.44932%0.322SS..EExtended strand (participates in β ladder)trans-123.8138.8-177.1-56.681.7000108.8G299 D300 S302 T313G299-H315 CarbonylContact C-O 3.55Å; G299-H315 WeakPolarHBondContact CA-O 3.39Å; D300-H315 PolarHBondContact N-O 2.04Å; D300-H315 PolarHBondContact O-N 2.99Å; S302-H315 PolarHBondContact OG-CE1 2.79Å; T313-H315 PolarHBondContact O-ND1 3.36Å
316C89.4Confident87Confident36 Ų3657.7 Ų57.724%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-97.2151.2174.4-62.90000111.6L322 C345C316-L322 VanDerWaalsContact SG-CA 3.5Å; C316-L322 WeakPolarHBondContact SG-CD1 3.17Å; C316-L322 PolarHBondContact SG-N 3.14Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; C316-C345 WeakPolarHBondContact CA-SG 3.44Å; C316-C345 HydrophobicContact CB-CB 3.76Å; C316-C345 WeakPolarHBondContact CB-SG 3.4Å; C316-C345 VanDerWaalsContact SG-CA 3.55Å; C316-C345 WeakPolarHBondContact SG-CB 3.42Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.21Å
317D85.7Confident87.5Confident73 Ų7358.4 Ų58.439%0.3934%0.338SS..PPolyproline II helixtrans-63.7151.7170.6-68.2-35.6000110.7H298 G299 G319 Y320H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.3Å; H298-D317 PolarHBondContact O-N 2.87Å; G299-D317 PolarHBondContact N-OD2 3.02Å; D317-G319 PolarHBondContact O-N 3.2Å; D317-Y320 HydrophobicContact CB-CD2 4.2Å; D317-Y320 WeakPolarHBondContact O-CB 3.03Å; D317-Y320 PolarHBondContact O-N 2.9Å
318S82.8Confident88Confident62 Ų6255.9 Ų55.943%0.43433%0.326SS..THydrogen-bonded Turntrans-53.3128.7179.256.30000111.4R360S318-R360 WeakPolarHBondContact O-CB 3.35Å; S318-R360 WeakPolarHBondContact O-CD 3.4Å; S318-R360 WeakPolarHBondContact OG-CB 3.2Å
319G80.3Confident88.4Confident22 Ų2257.1 Ų57.123%0.22733%0.33CS..THydrogen-bonded Turntrans96.3-11.5-176.100000114.8D317 R360D317-G319 PolarHBondContact O-N 3.2Å; G319-R360 WeakPolarHBondContact CA-O 3.5Å
320Y85.8Confident88.6Confident37 Ų3754.5 Ų54.515%0.14530%0.302CS..EExtended strand (participates in β ladder)trans-105.4149.3171.5-64.2-100.8000111.1H298 D317 A347 V362H298-Y320 HydrophobicContact CB-CD1 3.74Å; H298-Y320 HydrophobicContact CB-CD2 3.82Å; H298-Y320 HydrophobicContact CB-CE1 3.54Å; H298-Y320 HydrophobicContact CB-CE2 3.62Å; H298-Y320 HydrophobicContact CB-CG 3.88Å; H298-Y320 VanDerWaalsContact CB-CZ 3.46Å; H298-Y320 AromaticContact CD2-CE1 3.24Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.37Å; H298-Y320 AromaticContact CD2-CZ 3.5Å; H298-Y320 VanDerWaalsContact CD2-CZ 3.5Å; H298-Y320 PolarHBondContact CD2-OH 2.91Å; H298-Y320 PolarHBondContact CE1-OH 3.43Å; H298-Y320 AromaticContact CG-CE1 3.46Å; H298-Y320 VanDerWaalsContact CG-CE1 3.46Å; H298-Y320 AromaticContact CG-CE2 3.94Å; H298-Y320 AromaticContact CG-CZ 3.32Å; H298-Y320 AromaticContact ND1-CZ 3.85Å; H298-Y320 PolarHBondContact ND1-OH 2.04Å; H298-Y320 PolarHBondContact NE2-OH 2.93Å; D317-Y320 HydrophobicContact CB-CD2 4.2Å; D317-Y320 WeakPolarHBondContact O-CB 3.03Å; D317-Y320 PolarHBondContact O-N 2.9Å; Y320-A347 HydrophobicContact CD1-CB 4.01Å; Y320-A347 HydrophobicContact CE1-CB 3.98Å; Y320-V362 HydrophobicContact CD2-CG2 4.38Å; Y320-V362 HydrophobicContact CE2-CB 4.21Å; Y320-V362 HydrophobicContact CE2-CG1 4.06Å; Y320-V362 HydrophobicContact CE2-CG2 3.86Å
321Q85.7Confident88.8Confident126 Ų12658 Ų5859%0.58932%0.319SS*.EExtended strand (participates in β ladder)trans-117138.6176.7-171.2173.614.500110.5M346Q321-M346 PolarHBondContact N-O 2.78Å; Q321-M346 PolarHBondContact O-N 3.44Å
322L87.8Confident88.4Confident44 Ų4461.8 Ų61.823%0.2334%0.338CS..EExtended strand (participates in β ladder)trans-72.6134.9-179.8-162.275.8000111.5F314 C316 E326 P343F314-L322 HydrophobicContact CB-CD1 4.14Å; F314-L322 HydrophobicContact CB-CD2 4.36Å; C316-L322 VanDerWaalsContact SG-CA 3.5Å; C316-L322 WeakPolarHBondContact SG-CD1 3.17Å; C316-L322 PolarHBondContact SG-N 3.14Å; C316-L322 VanDerWaalsContact SG-N 3.43Å; L322-E326 HydrophobicContact CD2-CB 4.02Å; L322-E326 HydrophobicContact CD2-CG 4.26Å; L322-P343 HydrophobicContact CD1-CB 3.71Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.18Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.27Å
323Q89.1Confident88Confident115 Ų11562.7 Ų62.754%0.53735%0.347SS..EExtended strand (participates in β ladder)trans-124.6105175.1-74.8-112.81.500109.4P343 S344 M346Q323-P343 WeakPolarHBondContact O-CA 3.49Å; Q323-P343 WeakPolarHBondContact O-CB 3.09Å; Q323-S344 PolarHBondContact N-O 2.89Å; Q323-S344 PolarHBondContact O-N 2.86Å; Q323-M346 HydrophobicContact CB-CE 3.94Å; Q323-M346 HydrophobicContact CG-CE 3.47Å; Q323-M346 VanDerWaalsContact CG-CE 3.47Å
324G87.2Confident87.2Confident61 Ų6163.2 Ų63.263%0.62935%0.35SS*.SBendtrans134.8-164-175.200000110.9
325E90.8Very high86.6Confident130 Ų13068.3 Ų68.361%0.60737%0.369SS*.  trans-78.5129.1174.7-69.1-67.9169.600110.8T327 L328 P343E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.8Å; E325-L328 HydrophobicContact CB-CD2 4.06Å; E325-P343 WeakPolarHBondContact O-CG 3.4Å
326E91.4Very high86.1Confident124 Ų12464.6 Ų64.658%0.57935%0.354SS*.SBendtrans-64.9-30.9177.2-172.3-178.6167.600112.4T313 F314 L322T313-E326 WeakPolarHBondContact CA-O 3.41Å; F314-E326 PolarHBondContact N-O 2.85Å; L322-E326 HydrophobicContact CD2-CB 4.02Å; L322-E326 HydrophobicContact CD2-CG 4.26Å
327T92.2Very high86Confident63 Ų6366.1 Ų66.139%0.38737%0.365SS..EExtended strand (participates in β ladder)trans-131.5122.2-175.872.90000111.7A312 T313 E325A312-T327 CarbonylContact O-C 3.57Å; A312-T327 WeakPolarHBondContact O-CA 3.46Å; T313-T327 HydrophobicContact CG2-CG2 3.75Å; E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.8Å
328L92Very high86.2Confident1 Ų164.5 Ų64.51%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-103.1151.4170.2-60.1-178.3000110.7T311 A312 F314 E325 W338 N339 T342T311-L328 CarbonylContact C-O 3.58Å; T311-L328 WeakPolarHBondContact CA-O 3.17Å; A312-L328 PolarHBondContact N-O 3.01Å; A312-L328 PolarHBondContact O-N 2.97Å; F314-L328 HydrophobicContact CE2-CB 4.12Å; F314-L328 HydrophobicContact CE2-CD1 3.72Å; F314-L328 HydrophobicContact CE2-CG 3.74Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.46Å; E325-L328 HydrophobicContact CB-CD2 4.06Å; L328-W338 HydrophobicContact CB-CB 4.46Å; L328-W338 HydrophobicContact CB-CD2 4.44Å; L328-W338 HydrophobicContact CB-CE3 3.85Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; L328-N339 VanDerWaalsContact CA-OD1 3.23Å; L328-N339 WeakPolarHBondContact CA-OD1 3.37Å; L328-N339 WeakPolarHBondContact CB-OD1 3.04Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.41Å; L328-T342 HydrophobicContact CD1-CG2 4.33Å
329I91.7Very high86.6Confident69 Ų6965.2 Ų65.235%0.35435%0.352SS..EExtended strand (participates in β ladder)trans-123.4132.1-176.5-49.4-178.5000109T311 L331 W338 N339T311-I329 HydrophobicContact CG2-CG1 4.29Å; I329-L331 PolarHBondContact O-N 2.86Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; I329-N339 PolarHBondContact N-OD1 3.08Å; I329-N339 PolarHBondContact O-N 3.01Å; I329-N339 VanDerWaalsContact O-N 3.08Å; I329-N339 PolarHBondContact O-OD1 2.85Å
330C88.7Confident87Confident1 Ų166 Ų661%0.00736%0.36CS..EExtended strand (participates in β ladder)trans-74.2114176.1-178.30000110C290 L306 H307 P308 G309 G310 W338C290-C330 HydrophobicContact CB-CB 3.91Å; C290-C330 WeakPolarHBondContact CB-SG 3.41Å; C290-C330 WeakPolarHBondContact SG-CA 3Å; C290-C330 WeakPolarHBondContact SG-CB 3.41Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 3.4Å; L306-C330 PolarHBondContact O-SG 2.96Å; L306-C330 VanDerWaalsContact O-SG 3.34Å; H307-C330 WeakPolarHBondContact O-CB 3.32Å; P308-C330 CarbonylContact C-O 3.47Å; P308-C330 WeakPolarHBondContact CA-O 3.03Å; G309-C330 PolarHBondContact N-O 2.79Å; G310-C330 PolarHBondContact O-N 3.24Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.05Å; C330-W338 HydrophobicContact CB-CZ3 3.84Å; C330-W338 VanDerWaalsContact N-CZ3 3.35Å
331L88.3Confident87.1Confident81 Ų8173 Ų7342%0.42439%0.394SS..EExtended strand (participates in β ladder)trans-82.7145-178.7-59.5-178.2000111.8I329 P336 S337 N339I329-L331 PolarHBondContact O-N 2.86Å; L331-P336 WeakPolarHBondContact O-CA 3.06Å; L331-P336 WeakPolarHBondContact O-CB 3.49Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 2.86Å; L331-N339 HydrophobicContact CD1-CB 3.94Å; L331-N339 HydrophobicContact CD2-CB 4.07Å; L331-N339 HydrophobicContact CG-CB 3.97Å
332N84.6Confident87.1Confident121 Ų12170 Ų7065%0.64739%0.385SS*.  trans-75.8141172.960-8.9000111.2P308P308-N332 HydrophobicContact CB-CB 3.81Å; P308-N332 HydrophobicContact CG-CB 4.42Å
333G79.1Confident87.2Confident19 Ų1968.2 Ų68.220%0.19638%0.376CS..SBendtrans-175.5-175.1-174.800000114.1G211 R335G211-G333 PolarHBondContact N-O 3.34Å; G333-R335 VanDerWaalsContact C-N 3.27Å
334T75.7Confident87.2Confident43 Ų4365.4 Ų65.426%0.26437%0.369SS..SBendtrans-71-27.3172.758.30000111.8G236 T261 N262G236-T334 WeakPolarHBondContact CA-OG1 3.36Å; G236-T334 PolarHBondContact O-OG1 2.04Å; T261-T334 WeakPolarHBondContact CA-O 3.39Å; T261-T334 VanDerWaalsContact CB-O 3.32Å; T261-T334 WeakPolarHBondContact CB-O 3.44Å; N262-T334 PolarHBondContact N-O 3.06Å; N262-T334 WeakPolarHBondContact OD1-CA 3.37Å; N262-T334 WeakPolarHBondContact OD1-CB 3.39Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.36Å
335R79.8Confident87.3Confident110 Ų11063.1 Ų63.142%0.41534%0.343SS..SBendtrans-133.1123.3156.5-66-177.8-178154.47.3106.2T261 G333T261-R335 HydrophobicContact CG2-CG 3.66Å; G333-R335 VanDerWaalsContact C-N 3.27Å
336P80.6Confident86.9Confident18 Ų1861.1 Ų61.112%0.11733%0.334CS..  trans-60.8142.1172.3-25.436.1000111.5L288 P308 L331L288-P336 HydrophobicContact CB-CG 3.64Å; P308-P336 HydrophobicContact CG-CB 4.37Å; P308-P336 HydrophobicContact CG-CG 4.11Å; L331-P336 WeakPolarHBondContact O-CA 3.06Å; L331-P336 WeakPolarHBondContact O-CB 3.49Å
337S87.8Confident86.5Confident68 Ų6856 Ų5648%0.47631%0.313SS..EExtended strand (participates in β ladder)trans-146.5154.5176.364.10000110.6C290 L331C290-S337 VanDerWaalsContact SG-C 3.5Å; C290-S337 PolarHBondContact SG-N 3.37Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; L331-S337 WeakPolarHBondContact CB-O 3.36Å; L331-S337 PolarHBondContact N-O 2.86Å
338W89.2Confident86Confident40 Ų4055.4 Ų55.415%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-62.9151.8170.9-60.3106000111C290 G291 P293 V303 L306 A312 L328 I329 C330 G340C290-W338 HydrophobicContact CB-CD2 4.4Å; C290-W338 HydrophobicContact CB-CH2 4.48Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å; G291-W338 PolarHBondContact O-NE1 3.49Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; V303-W338 HydrophobicContact CG1-CH2 4.39Å; L306-W338 HydrophobicContact CD2-CZ2 3.99Å; A312-W338 HydrophobicContact CB-CE3 4.33Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.28Å; A312-W338 HydrophobicContact CB-CZ3 3.75Å; L328-W338 HydrophobicContact CB-CB 4.46Å; L328-W338 HydrophobicContact CB-CD2 4.44Å; L328-W338 HydrophobicContact CB-CE3 3.85Å; L328-W338 HydrophobicContact CD1-CB 4.31Å; I329-W338 VanDerWaalsContact C-CE3 3.44Å; C330-W338 HydrophobicContact CB-CE3 4.19Å; C330-W338 HydrophobicContact CB-CH2 4.05Å; C330-W338 HydrophobicContact CB-CZ3 3.84Å; C330-W338 VanDerWaalsContact N-CZ3 3.35Å; W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.81Å
339N91.6Very high85.4Confident77 Ų7757.9 Ų57.941%0.41233%0.329SS..SBendtrans-74.2-10.9-178.366-41.9000114.9L328 I329 L331L328-N339 VanDerWaalsContact CA-OD1 3.23Å; L328-N339 WeakPolarHBondContact CA-OD1 3.37Å; L328-N339 WeakPolarHBondContact CB-OD1 3.04Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.41Å; I329-N339 PolarHBondContact N-OD1 3.08Å; I329-N339 PolarHBondContact O-N 3.01Å; I329-N339 VanDerWaalsContact O-N 3.08Å; I329-N339 PolarHBondContact O-OD1 2.85Å; L331-N339 HydrophobicContact CD1-CB 3.94Å; L331-N339 HydrophobicContact CD2-CB 4.07Å; L331-N339 HydrophobicContact CG-CB 3.97Å
340G87.2Confident85Confident38 Ų3855.4 Ų55.439%0.39232%0.32SS..SBendtrans-156.6-179.4-178.400000112.1W338W338-G340 VanDerWaalsContact C-N 3.28Å; W338-G340 PolarHBondContact O-N 2.81Å
341E88.8Confident85Confident184 Ų18457.2 Ų57.286%0.8634%0.339SS*.PPolyproline II helixtrans-79.5153173.1-61.3-175.8164.100110.4
342T84.8Confident85.1Confident64 Ų6457.1 Ų57.139%0.39334%0.342SS..PPolyproline II helixtrans-69.3133.3179.5470000111.3P293 P294 F314 L328P293-T342 HydrophobicContact CB-CG2 4.27Å; P294-T342 HydrophobicContact CG-CG2 3.92Å; F314-T342 HydrophobicContact CE1-CG2 3.99Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; L328-T342 HydrophobicContact CD1-CG2 4.33Å
343P91.1Very high85.3Confident6 Ų653.9 Ų53.94%0.03932%0.324CS..PPolyproline II helixtrans-66.1160.3177.931.6-38.9000111.9F314 L322 Q323 E325F314-P343 HydrophobicContact CB-CG 3.57Å; F314-P343 HydrophobicContact CD1-CG 3.8Å; F314-P343 HydrophobicContact CD2-CG 3.82Å; F314-P343 HydrophobicContact CE1-CG 4.45Å; F314-P343 HydrophobicContact CE2-CG 4.49Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å; L322-P343 HydrophobicContact CD1-CB 3.71Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.18Å; L322-P343 HydrophobicContact CD2-CG 4.23Å; L322-P343 HydrophobicContact CG-CB 3.87Å; L322-P343 HydrophobicContact CG-CG 4.27Å; Q323-P343 WeakPolarHBondContact O-CA 3.49Å; Q323-P343 WeakPolarHBondContact O-CB 3.09Å; E325-P343 WeakPolarHBondContact O-CG 3.4Å
344S88.8Confident85.9Confident56 Ų5658.8 Ų58.839%0.39234%0.342SS..EExtended strand (participates in β ladder)trans-110149.917361.30000111.5Q323Q323-S344 PolarHBondContact N-O 2.89Å; Q323-S344 PolarHBondContact O-N 2.86Å
345C88.8Confident86.6Confident12 Ų1262.4 Ų62.48%0.08136%0.36CS..EExtended strand (participates in β ladder)trans-100122.6171.1-66.70000108.7A297 H298 C316A297-C345 WeakPolarHBondContact O-CB 3.2Å; H298-C345 WeakPolarHBondContact O-CB 3.48Å; C316-C345 WeakPolarHBondContact CA-SG 3.44Å; C316-C345 HydrophobicContact CB-CB 3.76Å; C316-C345 WeakPolarHBondContact CB-SG 3.4Å; C316-C345 VanDerWaalsContact SG-CA 3.55Å; C316-C345 WeakPolarHBondContact SG-CB 3.42Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.21Å
346M83.6Confident87Confident88 Ų8857.4 Ų57.443%0.43334%0.342SS..EExtended strand (participates in β ladder)trans-125.1135.7-178.9-65.9-159.9-72.200111Q321 Q323Q321-M346 PolarHBondContact N-O 2.78Å; Q321-M346 PolarHBondContact O-N 3.44Å; Q323-M346 HydrophobicContact CB-CE 3.94Å; Q323-M346 HydrophobicContact CG-CE 3.47Å; Q323-M346 VanDerWaalsContact CG-CE 3.47Å
347A83.4Confident87.5Confident16 Ų1660.8 Ų60.813%0.13236%0.362CS..EExtended strand (participates in β ladder)trans-71.5138.3178.700000111.5Y320 V362Y320-A347 HydrophobicContact CD1-CB 4.01Å; Y320-A347 HydrophobicContact CE1-CB 3.98Å; A347-V362 HydrophobicContact CB-CB 4.07Å; A347-V362 HydrophobicContact CB-CG1 4.25Å
348S80.8Confident87.6Confident51 Ų5162.6 Ų62.636%0.35737%0.366SS..  trans-92114.4-177.854.60000112.1G350 W378S348-G350 PolarHBondContact O-N 3.19Å; S348-W378 PolarHBondContact O-NE1 3.39Å
349C80.2Confident87.6Confident53 Ų5361.4 Ų61.436%0.35837%0.366SS..SBendtrans-71.490.8175.9-175.90000111.7P364 L374 C376C349-P364 HydrophobicContact CB-CG 3.78Å; C349-L374 HydrophobicContact CB-CD1 4.42Å; C349-L374 VanDerWaalsContact SG-CD1 3.58Å; C349-C376 WeakPolarHBondContact CA-SG 3.35Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.38Å; C349-C376 WeakPolarHBondContact SG-CA 3.3Å; C349-C376 WeakPolarHBondContact SG-CB 2.99Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.43Å
350G82.4Confident87.5Confident18 Ų1861.1 Ų61.119%0.18636%0.359CS..SBendtrans85.1169.2-177.900000115.2S348 R377 W378S348-G350 PolarHBondContact O-N 3.19Å; G350-R377 CarbonylContact C-O 3.49Å; G350-R377 WeakPolarHBondContact CA-O 3.31Å; G350-W378 VanDerWaalsContact CA-CD1 3.47Å; G350-W378 VanDerWaalsContact N-CE2 3.33Å; G350-W378 VanDerWaalsContact N-NE1 3.11Å
351G87.8Confident87.6Confident39 Ų3959.5 Ų59.540%0.40234%0.342SS..EExtended strand (participates in β ladder)trans151.3-179.9-17800000112.8R377 W378 V379G351-R377 PolarHBondContact N-O 3.38Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.31Å; G351-V379 PolarHBondContact O-N 3.48Å
352T90.5Very high87.5Confident79 Ų7950.9 Ų50.949%0.48530%0.302SS..EExtended strand (participates in β ladder)trans-123.8129.6174.5-54.20000110.4H354 V379T352-H354 WeakPolarHBondContact CG2-CE1 3.11Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.34Å; T352-V379 CarbonylContact C-O 3.58Å; T352-V379 WeakPolarHBondContact CA-O 3.47Å; T352-V379 HydrophobicContact CG2-CB 4.07Å; T352-V379 HydrophobicContact CG2-CG1 4.25Å
353I90.4Very high87.5Confident53 Ų5348 Ų4827%0.27228%0.284SS..EExtended strand (participates in β ladder)trans-113.198.3-178.4-53.2178.8000108A356 I361 V379 E381 F456I353-A356 HydrophobicContact CG2-CB 4.23Å; I353-I361 HydrophobicContact CD1-CD1 4.18Å; I353-I361 HydrophobicContact CD1-CG1 4.12Å; I353-V379 PolarHBondContact N-O 3.42Å; I353-E381 PolarHBondContact O-N 3.4Å; I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.63Å; I353-F456 HydrophobicContact CG2-CE2 4.31Å; I353-F456 HydrophobicContact CG2-CZ 3.96Å
354H90.9Very high86.9Confident122 Ų12248.7 Ų48.757%0.56529%0.288SS*.EExtended strand (participates in β ladder)trans-87.2146.7177.6-59.2-74.3000111.7T352 A356 E381T352-H354 WeakPolarHBondContact CG2-CE1 3.11Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.34Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 2.85Å; H354-E381 CarbonylContact C-O 3.54Å; H354-E381 IonicContact CE1-OE2 3.24Å; H354-E381 IonicContact CG-OE2 2.75Å; H354-E381 IonicContact ND1-OE2 3.63Å; H354-E381 PolarHBondContact ND1-OE2 3.49Å
355N90.7Very high85.9Confident119 Ų11951.5 Ų51.564%0.63630%0.295SS*.EExtended strand (participates in β ladder)trans51.744.6-174.3-65.1-48.4000112.7T357 E381N355-T357 PolarHBondContact O-N 3.01Å; N355-E381 WeakPolarHBondContact CA-O 3.36Å; N355-E381 PolarHBondContact N-O 3.08Å
356A88.4Confident84.2Confident5 Ų554.3 Ų54.34%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-52.9136.9173.300000111.1I353 H354 I380 E381 L388 F456 A458I353-A356 HydrophobicContact CG2-CB 4.23Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 2.85Å; A356-I380 HydrophobicContact CB-CG2 3.54Å; A356-E381 PolarHBondContact N-O 2.87Å; A356-L388 HydrophobicContact CB-CD2 4.07Å; A356-F456 HydrophobicContact CB-CD2 4.21Å; A356-F456 HydrophobicContact CB-CE2 3.84Å; A356-A458 WeakPolarHBondContact O-CB 3.33Å
357T90.1Very high82.7Confident88 Ų8854 Ų5454%0.5433%0.333SS..SBendtrans-133.5-56.8179.644.30000110.4N355 E457 A458N355-T357 PolarHBondContact O-N 3.01Å; T357-E457 CarbonylContact O-C 3.59Å; T357-E457 WeakPolarHBondContact O-CA 3.17Å; T357-A458 PolarHBondContact O-N 2.89Å
358L90.5Very high81.2Confident107 Ų10755.5 Ų55.556%0.5635%0.349SS*.EExtended strand (participates in β ladder)trans-149.4143169176.164.4000108.5R455 F456 E457L358-R455 HydrophobicContact CD1-CG 4.49Å; L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; L358-E457 HydrophobicContact CD1-CB 4Å
359G88.9Confident79.5Confident15 Ų1558.7 Ų58.716%0.15538%0.379CS..EExtended strand (participates in β ladder)trans-179.4-168.3172.300000113.4R455 F456G359-R455 WeakPolarHBondContact O-CA 3.32Å; G359-F456 VanDerWaalsContact C-CE1 3.44Å; G359-F456 VanDerWaalsContact CA-CZ 3.5Å; G359-F456 PolarHBondContact N-O 2.67Å; G359-F456 PolarHBondContact O-N 2.74Å
360R89.1Confident78.2Confident71 Ų7160.5 Ų60.527%0.26839%0.388SS..EExtended strand (participates in β ladder)trans-141.4147.8178.6-177.5-171.6-76.1164.4-6.1110.1S318 G319 V362 E393 S453 L454S318-R360 WeakPolarHBondContact O-CB 3.35Å; S318-R360 WeakPolarHBondContact O-CD 3.4Å; S318-R360 WeakPolarHBondContact OG-CB 3.2Å; G319-R360 WeakPolarHBondContact CA-O 3.5Å; R360-V362 HydrophobicContact CG-CG2 3.82Å; R360-E393 WeakPolarHBondContact CD-OE2 3.45Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.73Å; R360-E393 IonicContact NE-OE1 3.51Å; R360-E393 PolarHBondContact NE-OE1 2.82Å; R360-E393 IonicContact NE-OE2 3.76Å; R360-E393 PolarHBondContact NE-OE2 3.44Å; R360-E393 IonicContact NH2-OE1 3.54Å; R360-E393 PolarHBondContact NH2-OE1 2.93Å; R360-E393 IonicContact NH2-OE2 2.78Å; R360-E393 PolarHBondContact NH2-OE2 2.78Å; R360-S453 WeakPolarHBondContact CD-OG 3.29Å; R360-L454 CarbonylContact C-O 3.54Å; R360-L454 VanDerWaalsContact CA-O 3.22Å; R360-L454 WeakPolarHBondContact CA-O 2.97Å; R360-L454 WeakPolarHBondContact CG-O 3.49Å
361I90.5Very high76.9Confident4 Ų461.9 Ų61.92%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-117.5134.8171.4-75.5161.7000107.9I353 W378 I380 L454 F456I353-I361 HydrophobicContact CD1-CD1 4.18Å; I353-I361 HydrophobicContact CD1-CG1 4.12Å; I361-W378 HydrophobicContact CD1-CB 3.79Å; I361-W378 HydrophobicContact CD1-CG 4.02Å; I361-W378 HydrophobicContact CG1-CG 4.25Å; I361-W378 HydrophobicContact CG2-CD2 3.46Å; I361-W378 VanDerWaalsContact CG2-CD2 3.46Å; I361-W378 HydrophobicContact CG2-CE3 3.91Å; I361-W378 HydrophobicContact CG2-CG 3.79Å; I361-W378 HydrophobicContact CG2-CH2 4.09Å; I361-W378 HydrophobicContact CG2-CZ2 3.7Å; I361-W378 HydrophobicContact CG2-CZ3 4.2Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.82Å; I361-L454 PolarHBondContact N-O 3.41Å; I361-L454 PolarHBondContact O-N 2.84Å; I361-F456 HydrophobicContact CD1-CD1 4.13Å; I361-F456 HydrophobicContact CD1-CE1 4.28Å; I361-F456 HydrophobicContact CG1-CD1 4.24Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å
362V86.7Confident75.5Confident3 Ų364.2 Ų64.22%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-133.7144.1-177.6-169.20000110.9Y320 A347 R360 L452Y320-V362 HydrophobicContact CD2-CG2 4.38Å; Y320-V362 HydrophobicContact CE2-CB 4.21Å; Y320-V362 HydrophobicContact CE2-CG1 4.06Å; Y320-V362 HydrophobicContact CE2-CG2 3.86Å; A347-V362 HydrophobicContact CB-CB 4.07Å; A347-V362 HydrophobicContact CB-CG1 4.25Å; R360-V362 HydrophobicContact CG-CG2 3.82Å; V362-L452 CarbonylContact C-O 3.6Å; V362-L452 WeakPolarHBondContact CA-O 3.27Å; V362-L452 VanDerWaalsContact CG1-O 3.3Å; V362-L452 WeakPolarHBondContact CG1-O 3.09Å
363S84.1Confident74.5Confident2 Ų264.3 Ų64.31%0.01441%0.408CS..PPolyproline II helixtrans-79.8146.2172.261.40000112.1L450 L452S363-L450 WeakPolarHBondContact OG-CD2 3.35Å; S363-L452 PolarHBondContact N-O 2.96Å; S363-L452 WeakPolarHBondContact OG-CA 3.44Å; S363-L452 PolarHBondContact OG-N 2.94Å
364P78.5Confident73.8Confident22 Ų2262.5 Ų62.514%0.14340%0.399CS..PPolyproline II helixtrans-60.4146.7167.9-19.430.3000112.8C349 L374C349-P364 HydrophobicContact CB-CG 3.78Å; P364-L374 HydrophobicContact CG-CD1 4.31Å
365E67.3Low73.5Confident115 Ų11560.3 Ų60.354%0.53739%0.394SS..PPolyproline II helixtrans-74138.8172.5-64.9178.1-169.200111.3H298 G367 G368H298-E365 IonicContact CD2-OE1 3.54Å; H298-E365 IonicContact CE1-OE1 3.13Å; H298-E365 IonicContact NE2-OE1 3.27Å; H298-E365 PolarHBondContact NE2-OE1 3.35Å; E365-G367 PolarHBondContact O-N 3.03Å; E365-G368 PolarHBondContact O-N 3.31Å
366P53.8Low73.3Confident71 Ų7154.6 Ų54.646%0.46136%0.364SS..THydrogen-bonded Turntrans-68.8107.3178.326-31.8000110.9
367G51.9Low73.4Confident81 Ų8160.3 Ų60.384%0.83538%0.384SS*.THydrogen-bonded Turntrans146.8-20.1-172.800000113.3E365E365-G367 PolarHBondContact O-N 3.03Å
368G52.2Low73.6Confident47 Ų4756.4 Ų56.449%0.48536%0.36SS..SBendtrans-64.3168.9165.300000112.8E365 V370E365-G368 PolarHBondContact O-N 3.31Å; G368-V370 PolarHBondContact O-N 2.87Å
369A44.4Very low73.7Confident119 Ų11952.6 Ų52.698%0.98334%0.341SS*.SBendtrans-72.827.3-172.200000115.9
370V53.3Low74Confident90 Ų9051.9 Ų51.955%0.54533%0.333SS..  trans-94148.2176.4-174.70000109.3G368 L374G368-V370 PolarHBondContact O-N 2.87Å; V370-L374 HydrophobicContact CG1-CD1 3.9Å
371G54.5Low74.2Confident48 Ų4851.6 Ų51.650%0.49534%0.335SS..  trans-70.3177.1-179.100000114.2N373G371-N373 PolarHBondContact O-N 3.03Å
372P58Low74.3Confident87 Ų8751.5 Ų51.557%0.56534%0.335SS*.SBendtrans-71-2.1-169.529.1-36.8000115.9T445P372-T445 VanDerWaalsContact C-OG1 3.29Å; P372-T445 WeakPolarHBondContact CA-OG1 3.44Å; P372-T445 WeakPolarHBondContact O-CB 3.34Å; P372-T445 WeakPolarHBondContact O-CG2 3.37Å; P372-T445 PolarHBondContact O-N 2.85Å; P372-T445 PolarHBondContact O-OG1 2.82Å
373N69.6Low74.5Confident81 Ų8153.1 Ų53.143%0.43335%0.349SS..EExtended strand (participates in β ladder)trans-127116.9173.9-54.862.4000107.2G371 S443 E444G371-N373 PolarHBondContact O-N 3.03Å; N373-S443 CarbonylContact C-O 3.59Å; N373-S443 VanDerWaalsContact CA-O 3.31Å; N373-S443 WeakPolarHBondContact CA-O 3.5Å; N373-E444 WeakPolarHBondContact ND2-CG 3.27Å; N373-E444 PolarHBondContact ND2-OE1 3.15Å
374L76.1Confident74.7Confident15 Ų1561.3 Ų61.38%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-98.4126.6-177.4-17971.4000108.8C349 P364 V370 S443C349-L374 HydrophobicContact CB-CD1 4.42Å; C349-L374 VanDerWaalsContact SG-CD1 3.58Å; P364-L374 HydrophobicContact CG-CD1 4.31Å; V370-L374 HydrophobicContact CG1-CD1 3.9Å; L374-S443 PolarHBondContact N-O 2.92Å; L374-S443 PolarHBondContact O-N 2.9Å
375T84.8Confident74.9Confident76 Ų7662.7 Ų62.747%0.46641%0.405SS..EExtended strand (participates in β ladder)trans-134.3100.317756.90000110.2L441 L442T375-L441 CarbonylContact C-O 3.59Å; T375-L441 WeakPolarHBondContact CA-O 3.36Å; T375-L442 HydrophobicContact CG2-CD2 3.66Å
376C87.4Confident76Confident0 Ų060.6 Ų60.60%039%0.392CS..EExtended strand (participates in β ladder)trans-107.4137.2-176.3-530000110.6C349 W378 E440 L441C349-C376 WeakPolarHBondContact CA-SG 3.35Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.38Å; C349-C376 WeakPolarHBondContact SG-CA 3.3Å; C349-C376 WeakPolarHBondContact SG-CB 2.99Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.43Å; C376-W378 HydrophobicContact CB-CD2 4.5Å; C376-W378 HydrophobicContact CB-CE3 4.15Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.58Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; C376-E440 WeakPolarHBondContact O-CA 3.42Å; C376-L441 HydrophobicContact CB-CB 4.38Å; C376-L441 PolarHBondContact N-O 2.76Å; C376-L441 PolarHBondContact O-N 2.83Å
377R91.1Very high77.7Confident124 Ų12460.7 Ų60.747%0.46838%0.383SS..EExtended strand (participates in β ladder)trans-136.7110.4-174.8-71.2175.6170.41207.7110.3G350 G351 Y438 V439 E440G350-R377 CarbonylContact C-O 3.49Å; G350-R377 WeakPolarHBondContact CA-O 3.31Å; G351-R377 PolarHBondContact N-O 3.38Å; R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.32Å; R377-Y438 PolarHBondContact NE-OH 2.95Å; R377-V439 CarbonylContact C-O 3.35Å; R377-V439 WeakPolarHBondContact CA-O 3.23Å; R377-E440 HydrophobicContact CG-CG 4.2Å; R377-E440 IonicContact CZ-OE1 2.78Å; R377-E440 IonicContact NE-OE1 3.53Å; R377-E440 PolarHBondContact NE-OE1 2.8Å; R377-E440 IonicContact NH2-OE1 3.44Å; R377-E440 PolarHBondContact NH2-OE1 2.87Å
378W92.9Very high79.6Confident6 Ų656.8 Ų56.82%0.02334%0.344CS..EExtended strand (participates in β ladder)trans-111.4134.8179.4-57-92.3000110.6S348 G350 G351 I361 C376 V439 L441 L452S348-W378 PolarHBondContact O-NE1 3.39Å; G350-W378 VanDerWaalsContact CA-CD1 3.47Å; G350-W378 VanDerWaalsContact N-CE2 3.33Å; G350-W378 VanDerWaalsContact N-NE1 3.11Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.31Å; I361-W378 HydrophobicContact CD1-CB 3.79Å; I361-W378 HydrophobicContact CD1-CG 4.02Å; I361-W378 HydrophobicContact CG1-CG 4.25Å; I361-W378 HydrophobicContact CG2-CD2 3.46Å; I361-W378 VanDerWaalsContact CG2-CD2 3.46Å; I361-W378 HydrophobicContact CG2-CE3 3.91Å; I361-W378 HydrophobicContact CG2-CG 3.79Å; I361-W378 HydrophobicContact CG2-CH2 4.09Å; I361-W378 HydrophobicContact CG2-CZ2 3.7Å; I361-W378 HydrophobicContact CG2-CZ3 4.2Å; C376-W378 HydrophobicContact CB-CD2 4.5Å; C376-W378 HydrophobicContact CB-CE3 4.15Å; C376-W378 HydrophobicContact CB-CH2 3.22Å; C376-W378 HydrophobicContact CB-CZ2 3.58Å; C376-W378 HydrophobicContact CB-CZ3 3.52Å; W378-V439 HydrophobicContact CB-CB 4.44Å; W378-V439 HydrophobicContact CE3-CB 4.32Å; W378-V439 HydrophobicContact CE3-CG1 4.03Å; W378-V439 HydrophobicContact CZ3-CG1 4.44Å; W378-V439 PolarHBondContact N-O 3.45Å; W378-V439 PolarHBondContact O-N 3.21Å; W378-L441 HydrophobicContact CH2-CB 4.37Å; W378-L441 HydrophobicContact CH2-CD2 4.23Å; W378-L441 HydrophobicContact CZ3-CB 3.89Å; W378-L452 HydrophobicContact CZ3-CD2 4.47Å
379V93.7Very high81.4Confident27 Ų2754.6 Ų54.616%0.16432%0.321CS..EExtended strand (participates in β ladder)trans-114.4119.5172-178.20000108.3G351 T352 I353 L437 Y438G351-V379 PolarHBondContact O-N 3.48Å; T352-V379 CarbonylContact C-O 3.58Å; T352-V379 WeakPolarHBondContact CA-O 3.47Å; T352-V379 HydrophobicContact CG2-CB 4.07Å; T352-V379 HydrophobicContact CG2-CG1 4.25Å; I353-V379 PolarHBondContact N-O 3.42Å; V379-L437 WeakPolarHBondContact CA-O 3.36Å; V379-Y438 HydrophobicContact CG2-CD2 3.82Å; V379-Y438 HydrophobicContact CG2-CE2 4.39Å
380I94Very high83.6Confident0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-106.1130.1178-43.6174.1000107A356 I361 L388 L390 S436 L437 F456A356-I380 HydrophobicContact CB-CG2 3.54Å; I361-I380 HydrophobicContact CD1-CD1 3.6Å; I361-I380 HydrophobicContact CD1-CG1 3.82Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.8Å; I380-L388 HydrophobicContact CG2-CG 4.44Å; I380-L390 HydrophobicContact CD1-CD2 3.99Å; I380-S436 CarbonylContact O-C 3.6Å; I380-S436 WeakPolarHBondContact O-CA 3.46Å; I380-S436 WeakPolarHBondContact O-CB 3.28Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.48Å; I380-L437 PolarHBondContact N-O 3.31Å; I380-L437 PolarHBondContact O-N 2.56Å; I380-F456 HydrophobicContact CD1-CB 4.04Å; I380-F456 HydrophobicContact CD1-CD1 4.12Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.93Å; I380-F456 HydrophobicContact CG2-CE2 4.18Å; I380-F456 HydrophobicContact CG2-CG 4.27Å
381E93.6Very high85.2Confident65 Ų6546 Ų4630%0.30425%0.254SS..EExtended strand (participates in β ladder)trans-133.8112.7-179.3179.5175.2-133.200109.7I353 H354 N355 A356I353-E381 PolarHBondContact O-N 3.4Å; H354-E381 CarbonylContact C-O 3.54Å; H354-E381 IonicContact CE1-OE2 3.24Å; H354-E381 IonicContact CG-OE2 2.75Å; H354-E381 IonicContact ND1-OE2 3.63Å; H354-E381 PolarHBondContact ND1-OE2 3.49Å; N355-E381 WeakPolarHBondContact CA-O 3.36Å; N355-E381 PolarHBondContact N-O 3.08Å; A356-E381 PolarHBondContact N-O 2.87Å
382A93.1Very high86.6Confident2 Ų244.9 Ų44.92%0.01724%0.236CC..EExtended strand (participates in β ladder)trans-79.5168.3173.400000111.6R386 L388 Q435 A458A382-R386 HydrophobicContact CB-CB 3.97Å; A382-L388 HydrophobicContact CB-CD2 4.08Å; A382-L388 HydrophobicContact CB-CG 4.11Å; A382-Q435 PolarHBondContact N-O 2.87Å; A382-A458 HydrophobicContact CB-CB 3.76Å
383A90.5Very high87.5Confident37 Ų3742.7 Ų42.731%0.30622%0.218SC..PPolyproline II helixtrans-66.2157.4169.100000111.7G385 R386A383-G385 PolarHBondContact O-N 2.75Å; A383-R386 WeakPolarHBondContact O-CB 2.94Å; A383-R386 PolarHBondContact O-N 3.07Å
384E87.3Confident87.8Confident175 Ų17544 Ų4482%0.81822%0.217SC*.THydrogen-bonded Turntrans-54.1137.7178.3-62.5-175.4162.400111.8
385G84.3Confident87.9Confident51 Ų5145.5 Ų45.553%0.52623%0.226SC..THydrogen-bonded Turntrans80.212.3-17800000115.2A383A383-G385 PolarHBondContact O-N 2.75Å
386R89.5Confident87.5Confident71 Ų7144.2 Ų44.227%0.26822%0.221SC..EExtended strand (participates in β ladder)trans-118.7146.2176-63.3-168.9172.8-166.8-1.1112.8A382 A383 Q435 A458 F459 E460A382-R386 HydrophobicContact CB-CB 3.97Å; A383-R386 WeakPolarHBondContact O-CB 2.94Å; A383-R386 PolarHBondContact O-N 3.07Å; R386-Q435 WeakPolarHBondContact O-CA 3.45Å; R386-A458 HydrophobicContact CB-CB 4.5Å; R386-F459 CarbonylContact C-O 3.58Å; R386-F459 WeakPolarHBondContact CA-O 3.17Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 3.33Å; R386-E460 HydrophobicContact CG-CG 3.73Å; R386-E460 IonicContact CZ-OE1 2.7Å; R386-E460 VanDerWaalsContact CZ-OE1 3.27Å; R386-E460 IonicContact NE-OE1 3.39Å; R386-E460 PolarHBondContact NE-OE1 2.94Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 2.68Å; R386-E460 PolarHBondContact NH2-OE1 2.99Å
387R89.6Confident87Confident72 Ų7246 Ų4627%0.27223%0.23SC..EExtended strand (participates in β ladder)trans-102.8160.4168.5-65.6-177.8-170.6-175.58.1109.7S432 A458 F459 E461R387-S432 WeakPolarHBondContact CD-O 3.24Å; R387-S432 WeakPolarHBondContact CG-O 3.47Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.29Å; R387-A458 WeakPolarHBondContact O-CA 3.38Å; R387-F459 HydrophobicContact CB-CE1 3.92Å; R387-F459 HydrophobicContact CB-CE2 4.44Å; R387-F459 HydrophobicContact CB-CZ 3.89Å; R387-F459 PolarHBondContact N-O 2.94Å; R387-F459 WeakPolarHBondContact O-CD1 3.48Å; R387-F459 PolarHBondContact O-N 3.26Å; R387-E461 HydrophobicContact CG-CG 4.23Å; R387-E461 IonicContact CZ-OE1 2.63Å; R387-E461 IonicContact NE-OE1 3.32Å; R387-E461 PolarHBondContact NE-OE1 3.21Å; R387-E461 IonicContact NH2-OE1 3.51Å; R387-E461 PolarHBondContact NH2-OE1 3Å
388L91.6Very high86.2Confident0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-107.9132.8176.6-70.1161.4000109.8A356 I380 A382 I431 S432 L437 E457 A458A356-L388 HydrophobicContact CB-CD2 4.07Å; I380-L388 HydrophobicContact CB-CD1 3.92Å; I380-L388 HydrophobicContact CG2-CD1 3.73Å; I380-L388 HydrophobicContact CG2-CD2 3.8Å; I380-L388 HydrophobicContact CG2-CG 4.44Å; A382-L388 HydrophobicContact CB-CD2 4.08Å; A382-L388 HydrophobicContact CB-CG 4.11Å; L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.32Å; L388-S432 PolarHBondContact N-OG 3Å; L388-S432 PolarHBondContact O-N 3.47Å; L388-S432 PolarHBondContact O-OG 3.38Å; L388-L437 HydrophobicContact CB-CD1 3.52Å; L388-L437 HydrophobicContact CB-CG 4.17Å; L388-L437 HydrophobicContact CD1-CB 4.18Å; L388-L437 HydrophobicContact CD1-CD1 4.02Å; L388-L437 HydrophobicContact CD1-CG 3.99Å; L388-L437 HydrophobicContact CG-CD1 4.41Å; L388-E457 CarbonylContact C-O 3.51Å; L388-E457 VanDerWaalsContact CA-O 3.3Å; L388-E457 WeakPolarHBondContact CA-O 3.37Å; L388-A458 HydrophobicContact CD2-CB 3.86Å
389H90.3Very high85.2Confident1 Ų150.9 Ų50.91%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-101.5134.2163.6-179.3-120.4000109.1R428 L430 F456 E457 F459 F465H389-R428 PolarHBondContact NE2-O 3.37Å; H389-L430 CarbonylContact C-O 3.58Å; H389-L430 WeakPolarHBondContact CA-O 3.06Å; H389-L430 PolarHBondContact CD2-O 2.85Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.4Å; H389-E457 HydrophobicContact CB-CG 4.15Å; H389-E457 PolarHBondContact N-O 2.88Å; H389-E457 PolarHBondContact O-N 2.74Å; H389-F459 HydrophobicContact CB-CD1 4.31Å; H389-F459 HydrophobicContact CB-CE1 3.96Å; H389-F465 HydrophobicContact CB-CB 4.13Å; H389-F465 HydrophobicContact CB-CG 4.21Å; H389-F465 AromaticContact CE1-CD2 3.6Å; H389-F465 AromaticContact CE1-CE2 3.3Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.05Å; H389-F465 AromaticContact CE1-CZ 3.73Å; H389-F465 AromaticContact CG-CD2 3.97Å; H389-F465 AromaticContact CG-CG 3.94Å; H389-F465 AromaticContact ND1-CD2 3.54Å; H389-F465 AromaticContact ND1-CE2 3.77Å; H389-F465 AromaticContact ND1-CG 3.98Å; H389-F465 AromaticContact NE2-CE1 3.96Å; H389-F465 AromaticContact NE2-CE2 3.64Å; H389-F465 AromaticContact NE2-CZ 3.55Å
390L90.1Very high84.3Confident0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-109.1121.1170.4-81.5173.6000109.1I380 V406 G429 L430 L437 V439 L454 R455 F456I380-L390 HydrophobicContact CD1-CD2 3.99Å; L390-V406 HydrophobicContact CD1-CG1 3.69Å; L390-V406 HydrophobicContact CD1-CG2 4.42Å; L390-G429 CarbonylContact O-C 3.55Å; L390-G429 WeakPolarHBondContact O-CA 3.34Å; L390-L430 HydrophobicContact CB-CB 4.38Å; L390-L430 PolarHBondContact N-O 2.77Å; L390-L430 PolarHBondContact O-N 3.49Å; L390-L437 HydrophobicContact CD1-CD1 3.68Å; L390-L437 HydrophobicContact CG-CD1 3.72Å; L390-V439 HydrophobicContact CD1-CG2 4.13Å; L390-L454 HydrophobicContact CD2-CB 4.27Å; L390-L454 HydrophobicContact CD2-CD1 4.41Å; L390-R455 WeakPolarHBondContact CA-O 3.4Å; L390-F456 HydrophobicContact CD2-CB 3.87Å
391H86.8Confident83.4Confident28 Ų2861 Ų6113%0.1331%0.312CS..EExtended strand (participates in β ladder)trans-109.2128.8174.5-179.394.7000110.1E393 R455 F468H391-E393 PolarHBondContact O-N 2.89Å; H391-R455 HydrophobicContact CB-CB 4.32Å; H391-R455 PolarHBondContact N-O 2.85Å; H391-R455 PolarHBondContact O-N 3.05Å; H391-F468 AromaticContact CD2-CD1 3.62Å; H391-F468 AromaticContact CE1-CD1 3.99Å; H391-F468 AromaticContact NE2-CD1 3.41Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.38Å; H391-F468 AromaticContact NE2-CE1 3.96Å
392F83.9Confident82.9Confident24 Ų2458.7 Ų58.711%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-88.493.9-176.7-65-96.4000110.3V395 L404 Y418 V425 P426 L430 L454F392-V395 HydrophobicContact CB-CG2 4.02Å; F392-V395 HydrophobicContact CD1-CG2 3.61Å; F392-V395 HydrophobicContact CG-CG2 4.27Å; F392-L404 HydrophobicContact CE1-CD2 4.01Å; F392-Y418 HydrophobicContact CE1-CE1 4.5Å; F392-Y418 HydrophobicContact CZ-CD1 4.33Å; F392-V425 HydrophobicContact CB-CG1 3.76Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CG1 4.19Å; F392-V425 HydrophobicContact CE1-CG1 4.37Å; F392-V425 HydrophobicContact CG-CG1 3.65Å; F392-P426 HydrophobicContact CD2-CG 4.2Å; F392-P426 HydrophobicContact CE2-CG 3.64Å; F392-P426 HydrophobicContact CZ-CG 4.26Å; F392-L430 HydrophobicContact CE2-CD1 3.86Å; F392-L430 HydrophobicContact CE2-CG 3.94Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; F392-L454 HydrophobicContact CB-CD2 4.36Å; F392-L454 HydrophobicContact CD1-CD2 3.21Å; F392-L454 HydrophobicContact CE1-CD2 3.59Å; F392-L454 HydrophobicContact CG-CD2 3.86Å; F392-L454 HydrophobicContact CZ-CD2 4.46Å
393E77.9Confident82.7Confident42 Ų4262.2 Ų62.220%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-76.4-40.5-177.8-58.5170.913300112R360 H391 S453 R455 F468R360-E393 WeakPolarHBondContact CD-OE2 3.45Å; R360-E393 IonicContact CZ-OE1 2.68Å; R360-E393 IonicContact CZ-OE2 3.73Å; R360-E393 IonicContact NE-OE1 3.51Å; R360-E393 PolarHBondContact NE-OE1 2.82Å; R360-E393 IonicContact NE-OE2 3.76Å; R360-E393 PolarHBondContact NE-OE2 3.44Å; R360-E393 IonicContact NH2-OE1 3.54Å; R360-E393 PolarHBondContact NH2-OE1 2.93Å; R360-E393 IonicContact NH2-OE2 2.78Å; R360-E393 PolarHBondContact NH2-OE2 2.78Å; H391-E393 PolarHBondContact O-N 2.89Å; E393-S453 PolarHBondContact N-O 2.72Å; E393-S453 VanDerWaalsContact N-O 3.09Å; E393-S453 PolarHBondContact OE2-OG 3.15Å; E393-R455 HydrophobicContact CG-CB 3.99Å; E393-F468 HydrophobicContact CG-CE1 4.14Å
394R75.9Confident82.6Confident108 Ų10860.4 Ų60.441%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-147.9128.7176.3-55.9-171.275171.90.9109.2L451 S453R394-L451 HydrophobicContact CB-CD2 4.22Å; R394-L451 HydrophobicContact CB-CG 4.38Å; R394-L451 VanDerWaalsContact CZ-CD2 3.47Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 PolarHBondContact O-N 3.47Å
395V78.2Confident82.8Confident46 Ų4652.7 Ų52.728%0.27927%0.265SS..EExtended strand (participates in β ladder)trans-133.6124.6171.8-173.90000107.6F392 L397 V425 L451 L452F392-V395 HydrophobicContact CB-CG2 4.02Å; F392-V395 HydrophobicContact CD1-CG2 3.61Å; F392-V395 HydrophobicContact CG-CG2 4.27Å; V395-L397 HydrophobicContact CG1-CD1 3.8Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; V395-V425 HydrophobicContact CB-CG2 4.12Å; V395-V425 HydrophobicContact CG1-CG2 3.91Å; V395-V425 HydrophobicContact CG2-CG1 3.95Å; V395-V425 HydrophobicContact CG2-CG2 4.23Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 WeakPolarHBondContact CA-O 3.37Å; V395-L452 HydrophobicContact CG2-CD1 4.16Å
396S75.3Confident83.2Confident50 Ų5050.3 Ų50.335%0.3524%0.24SC..EExtended strand (participates in β ladder)trans-139.4105.2169179.10000106.6L450 L451S396-L450 WeakPolarHBondContact O-CA 3.43Å; S396-L451 PolarHBondContact N-O 2.85Å; S396-L451 PolarHBondContact O-N 3.03Å
397L76.5Confident83.4Confident38 Ų3848.2 Ų48.220%0.19923%0.232CC..  trans-123.3143.8-179.8-59.4173.9000107.7V395 D402 L404 L441 L450V395-L397 HydrophobicContact CG1-CD1 3.8Å; V395-L397 HydrophobicContact CG1-CG 3.75Å; L397-D402 HydrophobicContact CB-CB 3.95Å; L397-D402 HydrophobicContact CD2-CB 4.07Å; L397-L404 HydrophobicContact CD1-CB 3.77Å; L397-L404 HydrophobicContact CD1-CD2 4.47Å; L397-L441 HydrophobicContact CD2-CD1 3.73Å; L397-L450 HydrophobicContact CD2-CG 4.32Å
398D75.3Confident83.6Confident33 Ų3345.1 Ų45.118%0.17622%0.221CC..  trans-80113.4168.6-170.7-49.5000110D400 N401 D402D398-D400 PolarHBondContact O-N 3.31Å; D398-D400 VanDerWaalsContact O-N 3.08Å; D398-D400 PolarHBondContact OD1-N 2.84Å; D398-N401 HydrophobicContact CB-CB 4.13Å; D398-N401 VanDerWaalsContact CG-ND2 3.29Å; D398-N401 PolarHBondContact O-N 3.33Å; D398-N401 PolarHBondContact OD1-N 3.08Å; D398-N401 PolarHBondContact OD1-ND2 2.9Å; D398-N401 PolarHBondContact OD2-ND2 2.86Å; D398-D402 HydrophobicContact CB-CB 4.35Å; D398-D402 WeakPolarHBondContact CB-OD2 3.03Å; D398-D402 PolarHBondContact N-OD2 2.81Å; D398-D402 PolarHBondContact O-N 3.44Å
399E72.4Confident83.5Confident199 Ų19945.6 Ų45.693%0.9323%0.226SC*.THydrogen-bonded Turntrans-55.7-26.2-174.9-65.9175.2-17100114.3
400D73.9Confident83.4Confident155 Ų15547.2 Ų47.283%0.82924%0.243SC*.THydrogen-bonded Turntrans-94.1-18.2179.4-83.2-45.4000113.1D398D398-D400 PolarHBondContact O-N 3.31Å; D398-D400 VanDerWaalsContact O-N 3.08Å; D398-D400 PolarHBondContact OD1-N 2.84Å
401N76.1Confident83.3Confident83 Ų8349.4 Ų49.444%0.44426%0.258SS..THydrogen-bonded Turntrans-132.2-19.2-164.4-58.9-81000115.9D398 E444D398-N401 HydrophobicContact CB-CB 4.13Å; D398-N401 VanDerWaalsContact CG-ND2 3.29Å; D398-N401 PolarHBondContact O-N 3.33Å; D398-N401 PolarHBondContact OD1-N 3.08Å; D398-N401 PolarHBondContact OD1-ND2 2.9Å; D398-N401 PolarHBondContact OD2-ND2 2.86Å; N401-E444 PolarHBondContact O-N 3.06Å
402D83.1Confident83.3Confident18 Ų1851.6 Ų51.610%0.09628%0.275CS..EExtended strand (participates in β ladder)trans-117.3142.2-177.7-63.5-28000111.3L397 D398 L442 S443 L450L397-D402 HydrophobicContact CB-CB 3.95Å; L397-D402 HydrophobicContact CD2-CB 4.07Å; D398-D402 HydrophobicContact CB-CB 4.35Å; D398-D402 WeakPolarHBondContact CB-OD2 3.03Å; D398-D402 PolarHBondContact N-OD2 2.81Å; D398-D402 PolarHBondContact O-N 3.44Å; D402-L442 CarbonylContact C-O 3.56Å; D402-L442 WeakPolarHBondContact CA-O 3.5Å; D402-S443 VanDerWaalsContact OD1-CA 3.31Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.14Å; D402-S443 PolarHBondContact OD1-OG 2.87Å; D402-L450 HydrophobicContact CB-CD1 4.4Å
403R87.4Confident83.5Confident75 Ų7558.3 Ų58.328%0.28331%0.311SS..EExtended strand (participates in β ladder)trans-139.3133.9177.5-178.5177.2-176.6157.13.8113.2M405 D419 S420 D421 L441 L442R403-M405 HydrophobicContact CG-CE 4.11Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-M405 PolarHBondContact NE-SD 3.37Å; R403-M405 VanDerWaalsContact NE-SD 3.44Å; R403-D419 IonicContact CZ-OD1 3.05Å; R403-D419 VanDerWaalsContact CZ-OD1 3.25Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.76Å; R403-D419 PolarHBondContact NE-OD1 2.96Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 2.71Å; R403-D419 PolarHBondContact NH2-OD1 2.96Å; R403-D419 IonicContact NH2-OD2 3.86Å; R403-D419 PolarHBondContact NH2-OD2 3.27Å; R403-S420 WeakPolarHBondContact CA-OG 3.2Å; R403-D421 WeakPolarHBondContact CD-OD1 3.36Å; R403-D421 WeakPolarHBondContact CG-OD1 3.19Å; R403-D421 VanDerWaalsContact CZ-CG 3.44Å; R403-D421 IonicContact CZ-OD1 3.38Å; R403-D421 IonicContact CZ-OD2 2.76Å; R403-D421 IonicContact NE-OD1 2.68Å; R403-D421 PolarHBondContact NE-OD1 2.96Å; R403-D421 IonicContact NE-OD2 2.67Å; R403-D421 IonicContact NH1-OD1 3.14Å; R403-D421 IonicContact NH1-OD2 2.74Å; R403-D421 PolarHBondContact NH1-OD2 3.49Å; R403-D421 IonicContact NH2-OD2 2.67Å; R403-L441 WeakPolarHBondContact O-CA 3.45Å; R403-L442 PolarHBondContact N-O 2.84Å; R403-L442 PolarHBondContact O-N 3.43Å
404L89.3Confident84.2Confident0 Ų057.2 Ų57.20%031%0.308CS..EExtended strand (participates in β ladder)trans-116.2123174.1178.363000110.9F392 L397 Y418 S420 V439 L441 L452F392-L404 HydrophobicContact CE1-CD2 4.01Å; L397-L404 HydrophobicContact CD1-CB 3.77Å; L397-L404 HydrophobicContact CD1-CD2 4.47Å; L404-Y418 HydrophobicContact CD2-CE1 4.22Å; L404-Y418 HydrophobicContact CG-CE1 4.39Å; L404-S420 PolarHBondContact N-OG 3.28Å; L404-S420 PolarHBondContact O-N 3.38Å; L404-V439 HydrophobicContact CD1-CG1 3.88Å; L404-L441 HydrophobicContact CD1-CB 4.49Å; L404-L452 HydrophobicContact CD1-CD1 4.39Å; L404-L452 HydrophobicContact CD1-CD2 4.07Å; L404-L452 HydrophobicContact CD2-CD1 3.43Å; L404-L452 VanDerWaalsContact CD2-CD1 3.43Å
405M91.3Very high84.9Confident13 Ų1356.3 Ų56.36%0.06432%0.316CS..EExtended strand (participates in β ladder)trans-120.1133.6175.3-76.2169.8-77.200110.7R403 R407 D419 E440 L442R403-M405 HydrophobicContact CG-CE 4.11Å; R403-M405 HydrophobicContact CG-CG 4.33Å; R403-M405 PolarHBondContact NE-SD 3.37Å; R403-M405 VanDerWaalsContact NE-SD 3.44Å; M405-R407 PolarHBondContact SD-NH2 3.06Å; M405-D419 WeakPolarHBondContact CG-OD1 3.5Å; M405-E440 HydrophobicContact CE-CG 4.43Å; M405-E440 PolarHBondContact N-O 2.03Å; M405-E440 PolarHBondContact O-N 2.91Å; M405-L442 HydrophobicContact CE-CD1 3.73Å; M405-L442 HydrophobicContact CE-CG 4.38Å
406V93.6Very high85.5Confident0 Ų057.5 Ų57.50%032%0.323CS..EExtended strand (participates in β ladder)trans-121.3133.1174.4-175.20000109.9L390 I417 Y418 L430 L437 V439L390-V406 HydrophobicContact CD1-CG1 3.69Å; L390-V406 HydrophobicContact CD1-CG2 4.42Å; V406-I417 HydrophobicContact CB-CG1 4.21Å; V406-I417 HydrophobicContact CG1-CD1 3.94Å; V406-I417 HydrophobicContact CG1-CG1 3.87Å; V406-I417 PolarHBondContact O-N 3.45Å; V406-Y418 HydrophobicContact CG2-CD1 4.25Å; V406-Y418 PolarHBondContact N-O 2.95Å; V406-Y418 PolarHBondContact O-N 2.97Å; V406-L430 HydrophobicContact CB-CD1 4.03Å; V406-L430 HydrophobicContact CG1-CD1 4.09Å; V406-L430 HydrophobicContact CG2-CD1 4.07Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; V406-V439 HydrophobicContact CG1-CG2 4.41Å; V406-V439 HydrophobicContact CG2-CG2 4.5Å
407R93.6Very high86.3Confident28 Ų2857.5 Ų57.511%0.10632%0.319CS..EExtended strand (participates in β ladder)trans-126.7136.3-177.1-62.3177.8179.197.94.2111.8M405 G409 S414 P415 V416 L437 Y438 E440M405-R407 PolarHBondContact SD-NH2 3.06Å; R407-G409 PolarHBondContact O-N 3.29Å; R407-S414 WeakPolarHBondContact CD-O 3.41Å; R407-P415 CarbonylContact C-O 3.52Å; R407-P415 WeakPolarHBondContact CA-O 3.41Å; R407-P415 WeakPolarHBondContact CB-O 3.34Å; R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; R407-L437 WeakPolarHBondContact O-CA 3.37Å; R407-L437 WeakPolarHBondContact O-CD2 3.49Å; R407-Y438 PolarHBondContact N-O 2.64Å; R407-Y438 PolarHBondContact O-N 3.08Å; R407-E440 IonicContact CZ-OE2 2.78Å; R407-E440 IonicContact NH1-OE2 3.16Å; R407-E440 PolarHBondContact NH1-OE2 3.49Å; R407-E440 IonicContact NH2-OE2 3.16Å
408S92.3Very high87Confident7 Ų756.1 Ų56.15%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-79.5103.7175.9-1740000109.5S414 P415 D433S408-S414 WeakPolarHBondContact O-CB 3.42Å; S408-P415 PolarHBondContact N-O 2.04Å; S408-P415 WeakPolarHBondContact O-CD 3.36Å; S408-D433 WeakPolarHBondContact CB-OD2 3.5Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å
409G89.9Confident87.7Confident10 Ų1055.6 Ų55.610%0.10331%0.308CS..SBendtrans114138.9-170.300000113.4R407 S411 S414 S436 Y438R407-G409 PolarHBondContact O-N 3.29Å; G409-S411 PolarHBondContact O-N 2.85Å; G409-S414 PolarHBondContact O-OG 3.29Å; G409-S436 VanDerWaalsContact CA-O 3.28Å; G409-S436 WeakPolarHBondContact CA-O 3.48Å; G409-S436 PolarHBondContact N-O 2.91Å; G409-Y438 WeakPolarHBondContact O-CB 3.37Å
410G87.9Confident88.4Confident34 Ų3447.6 Ų47.635%0.35127%0.274SS..SBendtrans-70.729.3-174.100000117.3S436G410-S436 PolarHBondContact N-OG 3.04Å
411S87.9Confident88.9Confident46 Ų4644.3 Ų44.332%0.32226%0.257SS..SBendtrans-132154.1177.494.10000112.4G409 L413 S414G409-S411 PolarHBondContact O-N 2.85Å; S411-L413 PolarHBondContact O-N 3.43Å; S411-L413 PolarHBondContact OG-N 3.21Å; S411-S414 WeakPolarHBondContact CA-OG 3.41Å; S411-S414 WeakPolarHBondContact CB-OG 3.23Å; S411-S414 PolarHBondContact N-OG 3.37Å; S411-S414 PolarHBondContact O-N 2.85Å; S411-S414 PolarHBondContact O-OG 2.88Å; S411-S414 PolarHBondContact OG-N 3.42Å; S411-S414 PolarHBondContact OG-OG 3.34Å
412P86.8Confident89.2Confident74 Ų7446.9 Ų46.948%0.48127%0.268SS..THydrogen-bonded Turntrans-69.1-8.7174.429-35.9000113.9Y438P412-Y438 HydrophobicContact CB-CE1 4.06Å; P412-Y438 HydrophobicContact CB-CE2 4.13Å; P412-Y438 HydrophobicContact CG-CE2 4.47Å
413L88.9Confident89.1Confident165 Ų16550.5 Ų50.586%0.86429%0.287SS*.THydrogen-bonded Turntrans-100.1-0.6178.3-63.1176.3000113.1S411S411-L413 PolarHBondContact O-N 3.43Å; S411-L413 PolarHBondContact OG-N 3.21Å
414S91.7Very high88.6Confident20 Ų2054.4 Ų54.414%0.1431%0.313CS..SBendtrans-75.4156179-240000110.6R407 S408 G409 S411 V416R407-S414 WeakPolarHBondContact CD-O 3.41Å; S408-S414 WeakPolarHBondContact O-CB 3.42Å; G409-S414 PolarHBondContact O-OG 3.29Å; S411-S414 WeakPolarHBondContact CA-OG 3.41Å; S411-S414 WeakPolarHBondContact CB-OG 3.23Å; S411-S414 PolarHBondContact N-OG 3.37Å; S411-S414 PolarHBondContact O-N 2.85Å; S411-S414 PolarHBondContact O-OG 2.88Å; S411-S414 PolarHBondContact OG-N 3.42Å; S411-S414 PolarHBondContact OG-OG 3.34Å; S414-V416 PolarHBondContact O-N 2.77Å
415P91.9Very high88.1Confident88 Ų8857.2 Ų57.257%0.57133%0.331SS*.PPolyproline II helixtrans-56.7136-177.621.7-33.4000112.3R407 S408R407-P415 CarbonylContact C-O 3.52Å; R407-P415 WeakPolarHBondContact CA-O 3.41Å; R407-P415 WeakPolarHBondContact CB-O 3.34Å; S408-P415 PolarHBondContact N-O 2.04Å; S408-P415 WeakPolarHBondContact O-CD 3.36Å
416V90.5Very high87.4Confident71 Ų7158.3 Ų58.343%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-72.5133172.8179.90000108.8R407 S414 Y418 D419R407-V416 HydrophobicContact CG-CB 4.5Å; R407-V416 HydrophobicContact CG-CG2 3.94Å; S414-V416 PolarHBondContact O-N 2.77Å; V416-Y418 WeakPolarHBondContact CG1-O 3.1Å; V416-D419 HydrophobicContact CG1-CB 4.08Å
417I90.9Very high86.1Confident50 Ų5066.6 Ų66.626%0.25638%0.377SS..EExtended strand (participates in β ladder)trans-114.8-11.3174.159.9171.3000112.8V406 L430 L437V406-I417 HydrophobicContact CB-CG1 4.21Å; V406-I417 HydrophobicContact CG1-CD1 3.94Å; V406-I417 HydrophobicContact CG1-CG1 3.87Å; V406-I417 PolarHBondContact O-N 3.45Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; I417-L437 HydrophobicContact CD1-CD2 3.8Å
418Y91.5Very high84.8Confident9 Ų971.8 Ų71.84%0.03540%0.397CS..EExtended strand (participates in β ladder)trans-159.4142.7171.7176.5-104.1000111F392 L404 V406 V416 D423 D424 P426 L430F392-Y418 HydrophobicContact CE1-CE1 4.5Å; F392-Y418 HydrophobicContact CZ-CD1 4.33Å; L404-Y418 HydrophobicContact CD2-CE1 4.22Å; L404-Y418 HydrophobicContact CG-CE1 4.39Å; V406-Y418 HydrophobicContact CG2-CD1 4.25Å; V406-Y418 PolarHBondContact N-O 2.95Å; V406-Y418 PolarHBondContact O-N 2.97Å; V416-Y418 WeakPolarHBondContact CG1-O 3.1Å; Y418-D423 HydrophobicContact CD2-CB 4.07Å; Y418-D423 HydrophobicContact CE2-CB 3.84Å; Y418-D423 WeakPolarHBondContact CE2-O 3.24Å; Y418-D423 PolarHBondContact OH-O 2.71Å; Y418-D424 WeakPolarHBondContact CE2-O 3.32Å; Y418-P426 HydrophobicContact CD2-CG 4.44Å; Y418-L430 HydrophobicContact CD1-CD1 4.44Å; Y418-L430 HydrophobicContact CG-CD1 3.97Å
419D90.3Very high84.2Confident22 Ų2271.9 Ų71.912%0.11840%0.399CS..EExtended strand (participates in β ladder)trans-149.6113.5-178.9-160.1-6.9000109.4R403 M405 V416 D421 M422 D423R403-D419 IonicContact CZ-OD1 3.05Å; R403-D419 VanDerWaalsContact CZ-OD1 3.25Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.76Å; R403-D419 PolarHBondContact NE-OD1 2.96Å; R403-D419 IonicContact NE-OD2 2.64Å; R403-D419 IonicContact NH2-OD1 2.71Å; R403-D419 PolarHBondContact NH2-OD1 2.96Å; R403-D419 IonicContact NH2-OD2 3.86Å; R403-D419 PolarHBondContact NH2-OD2 3.27Å; M405-D419 WeakPolarHBondContact CG-OD1 3.5Å; V416-D419 HydrophobicContact CG1-CB 4.08Å; D419-D421 PolarHBondContact O-N 2.95Å; D419-D421 VanDerWaalsContact O-N 3.12Å; D419-M422 HydrophobicContact CB-CB 4.47Å; D419-M422 HydrophobicContact CB-CG 4.22Å; D419-M422 PolarHBondContact O-N 3.07Å; D419-D423 PolarHBondContact O-N 3.31Å; D419-D423 VanDerWaalsContact O-N 3.08Å
420S86.9Confident84.1Confident31 Ų3172.5 Ų72.522%0.21740%0.4CS..THydrogen-bonded Turntrans-64.5-18.8-171.561.80000114.8R403 L404 M422R403-S420 WeakPolarHBondContact CA-OG 3.2Å; L404-S420 PolarHBondContact N-OG 3.28Å; L404-S420 PolarHBondContact O-N 3.38Å; S420-M422 PolarHBondContact O-N 3.45Å
421D84.4Confident84.1Confident86 Ų8674.7 Ų74.746%0.4640%0.403SS..THydrogen-bonded Turntrans-66.6-23.4172-67.723.2000112.4R403 D419R403-D421 WeakPolarHBondContact CD-OD1 3.36Å; R403-D421 WeakPolarHBondContact CG-OD1 3.19Å; R403-D421 VanDerWaalsContact CZ-CG 3.44Å; R403-D421 IonicContact CZ-OD1 3.38Å; R403-D421 IonicContact CZ-OD2 2.76Å; R403-D421 IonicContact NE-OD1 2.68Å; R403-D421 PolarHBondContact NE-OD1 2.96Å; R403-D421 IonicContact NE-OD2 2.67Å; R403-D421 IonicContact NH1-OD1 3.14Å; R403-D421 IonicContact NH1-OD2 2.74Å; R403-D421 PolarHBondContact NH1-OD2 3.49Å; R403-D421 IonicContact NH2-OD2 2.67Å; D419-D421 PolarHBondContact O-N 2.95Å; D419-D421 VanDerWaalsContact O-N 3.12Å
422M83.1Confident84.2Confident137 Ų13772.5 Ų72.568%0.67539%0.388SS*.THydrogen-bonded Turntrans-116.3-36.2-165.6-55.5-76.3100.900113.1D419 S420D419-M422 HydrophobicContact CB-CB 4.47Å; D419-M422 HydrophobicContact CB-CG 4.22Å; D419-M422 PolarHBondContact O-N 3.07Å; S420-M422 PolarHBondContact O-N 3.45Å
423D80.9Confident84.1Confident95 Ų9574.4 Ų74.451%0.50839%0.394SS..SBendtrans-132.1136.8-169.8-62-68.3000112.3Y418 D419Y418-D423 HydrophobicContact CD2-CB 4.07Å; Y418-D423 HydrophobicContact CE2-CB 3.84Å; Y418-D423 WeakPolarHBondContact CE2-O 3.24Å; Y418-D423 PolarHBondContact OH-O 2.71Å; D419-D423 PolarHBondContact O-N 3.31Å; D419-D423 VanDerWaalsContact O-N 3.08Å
424D77.7Confident83.8Confident156 Ų15668.1 Ų68.183%0.83437%0.366SS*.PPolyproline II helixtrans-61.7152.3170.4-68.7-57.9000111.8Y418 P426Y418-D424 WeakPolarHBondContact CE2-O 3.32Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å
425V77.6Confident83.8Confident59 Ų5970.9 Ų70.936%0.35838%0.376SS..PPolyproline II helixtrans-58.9120.4-179.1-179.90000110.7F392 V395 E427F392-V425 HydrophobicContact CB-CG1 3.76Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CG1 4.19Å; F392-V425 HydrophobicContact CE1-CG1 4.37Å; F392-V425 HydrophobicContact CG-CG1 3.65Å; V395-V425 HydrophobicContact CB-CG2 4.12Å; V395-V425 HydrophobicContact CG1-CG2 3.91Å; V395-V425 HydrophobicContact CG2-CG1 3.95Å; V395-V425 HydrophobicContact CG2-CG2 4.23Å; V425-E427 PolarHBondContact O-N 2.68Å
426P77.5Confident83.8Confident36 Ų3667.5 Ų67.523%0.23436%0.355CS..PPolyproline II helixtrans-77.6120.6-170.528.9-34.5000112.4F392 Y418 D424 R428 G429 L430F392-P426 HydrophobicContact CD2-CG 4.2Å; F392-P426 HydrophobicContact CE2-CG 3.64Å; F392-P426 HydrophobicContact CZ-CG 4.26Å; Y418-P426 HydrophobicContact CD2-CG 4.44Å; D424-P426 WeakPolarHBondContact O-CD 3.48Å; P426-R428 PolarHBondContact O-N 2.76Å; P426-R428 VanDerWaalsContact O-N 3.17Å; P426-G429 PolarHBondContact O-N 3.46Å; P426-L430 HydrophobicContact CG-CD2 4.04Å; P426-L430 HydrophobicContact CG-CG 3.99Å
427E64.9Low84Confident174 Ų17464.1 Ų64.181%0.81334%0.335SS*.THydrogen-bonded Turntrans-54.9-35-179.8-60178.7145.800113.3V425 G429V425-E427 PolarHBondContact O-N 2.68Å; E427-G429 VanDerWaalsContact C-N 3.25Å; E427-G429 PolarHBondContact O-N 2.9Å
428R67.3Low84.1Confident137 Ų13762.5 Ų62.552%0.51733%0.325SS..THydrogen-bonded Turntrans-78.9-2.7179.3-65.8-179.7179.5-134.8-13.5114.1H389 P426 T519H389-R428 PolarHBondContact NE2-O 3.37Å; P426-R428 PolarHBondContact O-N 2.76Å; P426-R428 VanDerWaalsContact O-N 3.17Å; R428-T519 HydrophobicContact CG-CG2 3.65Å; R428-T519 VanDerWaalsContact NE-CG2 3.25Å
429G79.3Confident84.1Confident10 Ų1062 Ų6210%0.10332%0.324CS..  trans70-163.6-165.600000113.2L390 P426 E427L390-G429 CarbonylContact O-C 3.55Å; L390-G429 WeakPolarHBondContact O-CA 3.34Å; P426-G429 PolarHBondContact O-N 3.46Å; E427-G429 VanDerWaalsContact C-N 3.25Å; E427-G429 PolarHBondContact O-N 2.9Å
430L87.7Confident84.2Confident23 Ų2361.7 Ų61.712%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-126.5144.5177.5-67.3164.4000110.5H389 L390 F392 V406 I417 Y418 P426H389-L430 CarbonylContact C-O 3.58Å; H389-L430 WeakPolarHBondContact CA-O 3.06Å; H389-L430 PolarHBondContact CD2-O 2.85Å; L390-L430 HydrophobicContact CB-CB 4.38Å; L390-L430 PolarHBondContact N-O 2.77Å; L390-L430 PolarHBondContact O-N 3.49Å; F392-L430 HydrophobicContact CE2-CD1 3.86Å; F392-L430 HydrophobicContact CE2-CG 3.94Å; F392-L430 HydrophobicContact CZ-CD1 3.63Å; F392-L430 HydrophobicContact CZ-CG 4.23Å; V406-L430 HydrophobicContact CB-CD1 4.03Å; V406-L430 HydrophobicContact CG1-CD1 4.09Å; V406-L430 HydrophobicContact CG2-CD1 4.07Å; I417-L430 HydrophobicContact CD1-CB 4.23Å; Y418-L430 HydrophobicContact CD1-CD1 4.44Å; Y418-L430 HydrophobicContact CG-CD1 3.97Å; P426-L430 HydrophobicContact CG-CD2 4.04Å; P426-L430 HydrophobicContact CG-CG 3.99Å
431I88.4Confident84.3Confident79 Ų7960.2 Ų60.241%0.40531%0.311SS..EExtended strand (participates in β ladder)trans-111.8141.6173.6-60.9171.7000108.5L388 F459 F465L388-I431 CarbonylContact O-C 3.55Å; L388-I431 WeakPolarHBondContact O-CA 3.32Å; I431-F459 HydrophobicContact CG2-CE1 4.37Å; I431-F459 HydrophobicContact CG2-CZ 3.92Å; I431-F465 HydrophobicContact CD1-CD1 4.24Å; I431-F465 HydrophobicContact CD1-CE1 4.06Å
432S89.9Confident84.4Confident0 Ų058.7 Ų58.70%030%0.302CS..  trans-89.8136.217472.40000112.7R387 L388 A434R387-S432 WeakPolarHBondContact CD-O 3.24Å; R387-S432 WeakPolarHBondContact CG-O 3.47Å; L388-S432 PolarHBondContact N-OG 3Å; L388-S432 PolarHBondContact O-N 3.47Å; L388-S432 PolarHBondContact O-OG 3.38Å; S432-A434 VanDerWaalsContact CB-O 3.3Å; S432-A434 WeakPolarHBondContact CB-O 3.36Å; S432-A434 PolarHBondContact OG-O 3.11Å
433D85.3Confident84.3Confident115 Ų11552.5 Ų52.562%0.61527%0.273SS*.SBendtrans-76.8-14.4169.4-30-91.9000112.4S408S408-D433 WeakPolarHBondContact CB-OD2 3.5Å; S408-D433 PolarHBondContact OG-N 2.85Å; S408-D433 VanDerWaalsContact OG-N 3.1Å; S408-D433 PolarHBondContact OG-OD2 2.85Å
434A83.1Confident84.1Confident33 Ų3354 Ų5427%0.27328%0.277SS..SBendtrans-118.4161.4-179.100000111.5S432 S436S432-A434 VanDerWaalsContact CB-O 3.3Å; S432-A434 WeakPolarHBondContact CB-O 3.36Å; S432-A434 PolarHBondContact OG-O 3.11Å; A434-S436 PolarHBondContact O-N 2.94Å
435Q89.9Confident83.7Confident77 Ų7749.4 Ų49.436%0.3625%0.254SS..SBendtrans-653.1174.576.4-17539.600114.8A382 R386A382-Q435 PolarHBondContact N-O 2.87Å; R386-Q435 WeakPolarHBondContact O-CA 3.45Å
436S92.4Very high82.6Confident18 Ų1851.4 Ų51.413%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-145.8154.6-175.950.90000112.4I380 G409 G410 A434I380-S436 CarbonylContact O-C 3.6Å; I380-S436 WeakPolarHBondContact O-CA 3.46Å; I380-S436 WeakPolarHBondContact O-CB 3.28Å; G409-S436 VanDerWaalsContact CA-O 3.28Å; G409-S436 WeakPolarHBondContact CA-O 3.48Å; G409-S436 PolarHBondContact N-O 2.91Å; G410-S436 PolarHBondContact N-OG 3.04Å; A434-S436 PolarHBondContact O-N 2.94Å
437L94.1Very high81.2Confident0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-130.3142.8176.8-76.5169.4000110V379 I380 L388 L390 V406 R407 I417V379-L437 WeakPolarHBondContact CA-O 3.36Å; I380-L437 HydrophobicContact CB-CB 4.39Å; I380-L437 HydrophobicContact CD1-CB 4.48Å; I380-L437 PolarHBondContact N-O 3.31Å; I380-L437 PolarHBondContact O-N 2.56Å; L388-L437 HydrophobicContact CB-CD1 3.52Å; L388-L437 HydrophobicContact CB-CG 4.17Å; L388-L437 HydrophobicContact CD1-CB 4.18Å; L388-L437 HydrophobicContact CD1-CD1 4.02Å; L388-L437 HydrophobicContact CD1-CG 3.99Å; L388-L437 HydrophobicContact CG-CD1 4.41Å; L390-L437 HydrophobicContact CD1-CD1 3.68Å; L390-L437 HydrophobicContact CG-CD1 3.72Å; V406-L437 HydrophobicContact CG1-CD2 4.11Å; R407-L437 WeakPolarHBondContact O-CA 3.37Å; R407-L437 WeakPolarHBondContact O-CD2 3.49Å; I417-L437 HydrophobicContact CD1-CD2 3.8Å
438Y93.6Very high80.8Confident15 Ų1549.7 Ų49.76%0.05928%0.275CS..EExtended strand (participates in β ladder)trans-115.4116.2170.9176.5-78.8000108.5R377 V379 R407 G409 P412 E440R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.32Å; R377-Y438 PolarHBondContact NE-OH 2.95Å; V379-Y438 HydrophobicContact CG2-CD2 3.82Å; V379-Y438 HydrophobicContact CG2-CE2 4.39Å; R407-Y438 PolarHBondContact N-O 2.64Å; R407-Y438 PolarHBondContact O-N 3.08Å; G409-Y438 WeakPolarHBondContact O-CB 3.37Å; P412-Y438 HydrophobicContact CB-CE1 4.06Å; P412-Y438 HydrophobicContact CB-CE2 4.13Å; P412-Y438 HydrophobicContact CG-CE2 4.47Å; Y438-E440 HydrophobicContact CD1-CB 4.38Å; Y438-E440 HydrophobicContact CE1-CB 3.67Å; Y438-E440 HydrophobicContact CE1-CG 4.4Å; Y438-E440 PolarHBondContact OH-OE1 3.06Å
439V92.9Very high80.3Confident0 Ų047.2 Ų47.20%028%0.276CS..EExtended strand (participates in β ladder)trans-110.5127.8-179.6-177.90000108.8R377 W378 L390 L404 V406 L454R377-V439 CarbonylContact C-O 3.35Å; R377-V439 WeakPolarHBondContact CA-O 3.23Å; W378-V439 HydrophobicContact CB-CB 4.44Å; W378-V439 HydrophobicContact CE3-CB 4.32Å; W378-V439 HydrophobicContact CE3-CG1 4.03Å; W378-V439 HydrophobicContact CZ3-CG1 4.44Å; W378-V439 PolarHBondContact N-O 3.45Å; W378-V439 PolarHBondContact O-N 3.21Å; L390-V439 HydrophobicContact CD1-CG2 4.13Å; L404-V439 HydrophobicContact CD1-CG1 3.88Å; V406-V439 HydrophobicContact CG1-CG2 4.41Å; V406-V439 HydrophobicContact CG2-CG2 4.5Å; V439-L454 HydrophobicContact CG1-CD1 3.97Å
440E91.6Very high79.5Confident15 Ų1547.3 Ų47.37%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-131.9121.8-177.8178.3165.5-129.100110.8C376 R377 M405 R407 Y438 L442C376-E440 WeakPolarHBondContact O-CA 3.42Å; R377-E440 HydrophobicContact CG-CG 4.2Å; R377-E440 IonicContact CZ-OE1 2.78Å; R377-E440 IonicContact NE-OE1 3.53Å; R377-E440 PolarHBondContact NE-OE1 2.8Å; R377-E440 IonicContact NH2-OE1 3.44Å; R377-E440 PolarHBondContact NH2-OE1 2.87Å; M405-E440 HydrophobicContact CE-CG 4.43Å; M405-E440 PolarHBondContact N-O 2.03Å; M405-E440 PolarHBondContact O-N 2.91Å; R407-E440 IonicContact CZ-OE2 2.78Å; R407-E440 IonicContact NH1-OE2 3.16Å; R407-E440 PolarHBondContact NH1-OE2 3.49Å; R407-E440 IonicContact NH2-OE2 3.16Å; Y438-E440 HydrophobicContact CD1-CB 4.38Å; Y438-E440 HydrophobicContact CE1-CB 3.67Å; Y438-E440 HydrophobicContact CE1-CG 4.4Å; Y438-E440 PolarHBondContact OH-OE1 3.06Å; E440-L442 HydrophobicContact CG-CD2 4.17Å; E440-L442 HydrophobicContact CG-CG 4.4Å
441L88.7Confident78.7Confident0 Ų048.2 Ų48.20%028%0.279CS..EExtended strand (participates in β ladder)trans-113.5129176.7175.171.2000109T375 C376 W378 L397 R403 L404 L450 L452T375-L441 CarbonylContact C-O 3.59Å; T375-L441 WeakPolarHBondContact CA-O 3.36Å; C376-L441 HydrophobicContact CB-CB 4.38Å; C376-L441 PolarHBondContact N-O 2.76Å; C376-L441 PolarHBondContact O-N 2.83Å; W378-L441 HydrophobicContact CH2-CB 4.37Å; W378-L441 HydrophobicContact CH2-CD2 4.23Å; W378-L441 HydrophobicContact CZ3-CB 3.89Å; L397-L441 HydrophobicContact CD2-CD1 3.73Å; R403-L441 WeakPolarHBondContact O-CA 3.45Å; L404-L441 HydrophobicContact CD1-CB 4.49Å; L441-L450 HydrophobicContact CD1-CD1 4.31Å; L441-L450 HydrophobicContact CD2-CD1 4.3Å; L441-L450 HydrophobicContact CD2-CD2 3.77Å; L441-L452 HydrophobicContact CD1-CD2 4.32Å; L441-L452 HydrophobicContact CD2-CD2 4.03Å
442L86.9Confident78.4Confident53 Ų5344.4 Ų44.428%0.27726%0.26SS..EExtended strand (participates in β ladder)trans-121.4140.5175.1-51.8176.2000108.4T375 D402 R403 M405 E440T375-L442 HydrophobicContact CG2-CD2 3.66Å; D402-L442 CarbonylContact C-O 3.56Å; D402-L442 WeakPolarHBondContact CA-O 3.5Å; R403-L442 PolarHBondContact N-O 2.84Å; R403-L442 PolarHBondContact O-N 3.43Å; M405-L442 HydrophobicContact CE-CD1 3.73Å; M405-L442 HydrophobicContact CE-CG 4.38Å; E440-L442 HydrophobicContact CG-CD2 4.17Å; E440-L442 HydrophobicContact CG-CG 4.4Å
443S80.8Confident78.2Confident8 Ų845 Ų456%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-157.2138.9-179.2170.80000111.8N373 L374 D402 L450N373-S443 CarbonylContact C-O 3.59Å; N373-S443 VanDerWaalsContact CA-O 3.31Å; N373-S443 WeakPolarHBondContact CA-O 3.5Å; L374-S443 PolarHBondContact N-O 2.92Å; L374-S443 PolarHBondContact O-N 2.9Å; D402-S443 VanDerWaalsContact OD1-CA 3.31Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.14Å; D402-S443 PolarHBondContact OD1-OG 2.87Å; S443-L450 VanDerWaalsContact OG-CD1 3.3Å; S443-L450 WeakPolarHBondContact OG-CD1 3.3Å
444E76.8Confident78.4Confident126 Ų12639.5 Ų39.559%0.58923%0.234SC*.EExtended strand (participates in β ladder)trans-121117.1176.4-48.6-150145.700110.1N373 N401N373-E444 WeakPolarHBondContact ND2-CG 3.27Å; N373-E444 PolarHBondContact ND2-OE1 3.15Å; N401-E444 PolarHBondContact O-N 3.06Å
445T68.3Low78.7Confident60 Ų6039.4 Ų39.437%0.36823%0.227SC..  trans-96165.6-15766.20000115.1P372P372-T445 VanDerWaalsContact C-OG1 3.29Å; P372-T445 WeakPolarHBondContact CA-OG1 3.44Å; P372-T445 WeakPolarHBondContact O-CB 3.34Å; P372-T445 WeakPolarHBondContact O-CG2 3.37Å; P372-T445 PolarHBondContact O-N 2.85Å; P372-T445 PolarHBondContact O-OG1 2.82Å
446P55.1Low78.7Confident101 Ų10136.1 Ų36.166%0.65621%0.211SC*.  cis-133.2153.8-30.128.4-10.3000114.2
447A49.3Very low78.7Confident84 Ų8436.1 Ų36.169%0.69421%0.209SC*.SBendtrans-132.3-47.7157.300000111.7
448N55Low78.5Confident90 Ų9036.6 Ų36.648%0.48121%0.213SC..SBendtrans-98.4155.7177.5-69.6-27.3000112.3L450N448-L450 PolarHBondContact O-N 3.35Å
449P58.2Low78.4Confident85 Ų8536.8 Ų36.855%0.55221%0.214SC*.  trans-74.2103.7167.930.5-32.1000110L451P449-L451 PolarHBondContact O-N 3.24Å
450L61.9Low78.2Confident12 Ų1239.8 Ų39.86%0.06323%0.228CC..  trans-57.5127.4169.8-172161.4000109.3S363 S396 L397 D402 L441 S443 N448S363-L450 WeakPolarHBondContact OG-CD2 3.35Å; S396-L450 WeakPolarHBondContact O-CA 3.43Å; L397-L450 HydrophobicContact CD2-CG 4.32Å; D402-L450 HydrophobicContact CB-CD1 4.4Å; L441-L450 HydrophobicContact CD1-CD1 4.31Å; L441-L450 HydrophobicContact CD2-CD1 4.3Å; L441-L450 HydrophobicContact CD2-CD2 3.77Å; S443-L450 VanDerWaalsContact OG-CD1 3.3Å; S443-L450 WeakPolarHBondContact OG-CD1 3.3Å; N448-L450 PolarHBondContact O-N 3.35Å
451L70.7Confident77.9Confident41 Ų4144 Ų4422%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-135.992.8178.8-171.463.1000112.3R394 V395 S396 P449R394-L451 HydrophobicContact CB-CD2 4.22Å; R394-L451 HydrophobicContact CB-CG 4.38Å; R394-L451 VanDerWaalsContact CZ-CD2 3.47Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 WeakPolarHBondContact CA-O 3.37Å; S396-L451 PolarHBondContact N-O 2.85Å; S396-L451 PolarHBondContact O-N 3.03Å; P449-L451 PolarHBondContact O-N 3.24Å
452L83.1Confident77.8Confident0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-74.9108.1163162.5150.2000115.2V362 S363 W378 V395 L404 L441 L454V362-L452 CarbonylContact C-O 3.6Å; V362-L452 WeakPolarHBondContact CA-O 3.27Å; V362-L452 VanDerWaalsContact CG1-O 3.3Å; V362-L452 WeakPolarHBondContact CG1-O 3.09Å; S363-L452 PolarHBondContact N-O 2.96Å; S363-L452 WeakPolarHBondContact OG-CA 3.44Å; S363-L452 PolarHBondContact OG-N 2.94Å; W378-L452 HydrophobicContact CZ3-CD2 4.47Å; V395-L452 HydrophobicContact CG2-CD1 4.16Å; L404-L452 HydrophobicContact CD1-CD1 4.39Å; L404-L452 HydrophobicContact CD1-CD2 4.07Å; L404-L452 HydrophobicContact CD2-CD1 3.43Å; L404-L452 VanDerWaalsContact CD2-CD1 3.43Å; L441-L452 HydrophobicContact CD1-CD2 4.32Å; L441-L452 HydrophobicContact CD2-CD2 4.03Å; L452-L454 HydrophobicContact CD1-CD1 3.93Å; L452-L454 HydrophobicContact CD1-CD2 3.46Å; L452-L454 VanDerWaalsContact CD1-CD2 3.46Å; L452-L454 HydrophobicContact CD1-CG 3.53Å; L452-L454 HydrophobicContact CG-CD1 4.42Å; L452-L454 HydrophobicContact CG-CD2 4.37Å; L452-L454 HydrophobicContact CG-CG 3.98Å
453S85.5Confident77.9Confident11 Ų1146.7 Ų46.78%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-135109.5163-164.30000112.1R360 E393 R394R360-S453 WeakPolarHBondContact CD-OG 3.29Å; E393-S453 PolarHBondContact N-O 2.72Å; E393-S453 VanDerWaalsContact N-O 3.09Å; E393-S453 PolarHBondContact OE2-OG 3.15Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 PolarHBondContact O-N 3.47Å
454L88.3Confident78.4Confident0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-116.8118.9179.2-59.5-178.1000110.6R360 I361 L390 F392 V439 L452R360-L454 CarbonylContact C-O 3.54Å; R360-L454 VanDerWaalsContact CA-O 3.22Å; R360-L454 WeakPolarHBondContact CA-O 2.97Å; R360-L454 WeakPolarHBondContact CG-O 3.49Å; I361-L454 PolarHBondContact N-O 3.41Å; I361-L454 PolarHBondContact O-N 2.84Å; L390-L454 HydrophobicContact CD2-CB 4.27Å; L390-L454 HydrophobicContact CD2-CD1 4.41Å; F392-L454 HydrophobicContact CB-CD2 4.36Å; F392-L454 HydrophobicContact CD1-CD2 3.21Å; F392-L454 HydrophobicContact CE1-CD2 3.59Å; F392-L454 HydrophobicContact CG-CD2 3.86Å; F392-L454 HydrophobicContact CZ-CD2 4.46Å; V439-L454 HydrophobicContact CG1-CD1 3.97Å; L452-L454 HydrophobicContact CD1-CD1 3.93Å; L452-L454 HydrophobicContact CD1-CD2 3.46Å; L452-L454 VanDerWaalsContact CD1-CD2 3.46Å; L452-L454 HydrophobicContact CD1-CG 3.53Å; L452-L454 HydrophobicContact CG-CD1 4.42Å; L452-L454 HydrophobicContact CG-CD2 4.37Å; L452-L454 HydrophobicContact CG-CG 3.98Å
455R89.3Confident79Confident32 Ų3241.3 Ų41.312%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-81138.8165.5176.9-179.2178.4-81-3.6108.7L358 G359 L390 H391 E393 E457L358-R455 HydrophobicContact CD1-CG 4.49Å; G359-R455 WeakPolarHBondContact O-CA 3.32Å; L390-R455 WeakPolarHBondContact CA-O 3.4Å; H391-R455 HydrophobicContact CB-CB 4.32Å; H391-R455 PolarHBondContact N-O 2.85Å; H391-R455 PolarHBondContact O-N 3.05Å; E393-R455 HydrophobicContact CG-CB 3.99Å; R455-E457 IonicContact CZ-OE2 2.93Å; R455-E457 IonicContact NH1-OE2 3.6Å; R455-E457 PolarHBondContact NH1-OE2 3.01Å; R455-E457 IonicContact NH2-OE2 3.77Å; R455-E457 PolarHBondContact NH2-OE2 2.95Å
456F91.1Very high79.9Confident8 Ų839.5 Ų39.54%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-127.2143.5172.566.8-96.2000111.2I353 A356 L358 G359 I361 I380 H389 L390I353-F456 HydrophobicContact CD1-CE1 3.6Å; I353-F456 HydrophobicContact CD1-CZ 3.63Å; I353-F456 HydrophobicContact CG2-CE2 4.31Å; I353-F456 HydrophobicContact CG2-CZ 3.96Å; A356-F456 HydrophobicContact CB-CD2 4.21Å; A356-F456 HydrophobicContact CB-CE2 3.84Å; L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.31Å; G359-F456 VanDerWaalsContact C-CE1 3.44Å; G359-F456 VanDerWaalsContact CA-CZ 3.5Å; G359-F456 PolarHBondContact N-O 2.67Å; G359-F456 PolarHBondContact O-N 2.74Å; I361-F456 HydrophobicContact CD1-CD1 4.13Å; I361-F456 HydrophobicContact CD1-CE1 4.28Å; I361-F456 HydrophobicContact CG1-CD1 4.24Å; I361-F456 HydrophobicContact CG1-CE1 4.11Å; I380-F456 HydrophobicContact CD1-CB 4.04Å; I380-F456 HydrophobicContact CD1-CD1 4.12Å; I380-F456 HydrophobicContact CD1-CG 4.07Å; I380-F456 HydrophobicContact CG2-CD2 3.93Å; I380-F456 HydrophobicContact CG2-CE2 4.18Å; I380-F456 HydrophobicContact CG2-CG 4.27Å; H389-F456 VanDerWaalsContact O-CA 3.28Å; H389-F456 WeakPolarHBondContact O-CA 3.4Å; L390-F456 HydrophobicContact CD2-CB 3.87Å
457E91.1Very high81.3Confident17 Ų1735 Ų358%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-139.2154.3169.466.1171.5-107.900112.4T357 L358 L388 H389 R455 A466T357-E457 CarbonylContact O-C 3.59Å; T357-E457 WeakPolarHBondContact O-CA 3.17Å; L358-E457 HydrophobicContact CD1-CB 4Å; L388-E457 CarbonylContact C-O 3.51Å; L388-E457 VanDerWaalsContact CA-O 3.3Å; L388-E457 WeakPolarHBondContact CA-O 3.37Å; H389-E457 HydrophobicContact CB-CG 4.15Å; H389-E457 PolarHBondContact N-O 2.88Å; H389-E457 PolarHBondContact O-N 2.74Å; R455-E457 IonicContact CZ-OE2 2.93Å; R455-E457 IonicContact NH1-OE2 3.6Å; R455-E457 PolarHBondContact NH1-OE2 3.01Å; R455-E457 IonicContact NH2-OE2 3.77Å; R455-E457 PolarHBondContact NH2-OE2 2.95Å; E457-A466 WeakPolarHBondContact OE1-CB 2.99Å; E457-A466 PolarHBondContact OE1-N 3.02Å
458A91.4Very high82.8Confident10 Ų1033.3 Ų33.38%0.08317%0.173CC..EExtended strand (participates in β ladder)trans-115.2110.3-179.200000111.7A356 T357 A382 R386 R387 L388A356-A458 WeakPolarHBondContact O-CB 3.33Å; T357-A458 PolarHBondContact O-N 2.89Å; A382-A458 HydrophobicContact CB-CB 3.76Å; R386-A458 HydrophobicContact CB-CB 4.5Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.29Å; R387-A458 WeakPolarHBondContact O-CA 3.38Å; L388-A458 HydrophobicContact CD2-CB 3.86Å
459F90Very high84.1Confident20 Ų2029.6 Ų29.69%0.08815%0.153CC..EExtended strand (participates in β ladder)trans-111.9160.6-177.468.3-77.1000111.3R386 R387 H389 I431 F465R386-F459 CarbonylContact C-O 3.58Å; R386-F459 WeakPolarHBondContact CA-O 3.17Å; R386-F459 VanDerWaalsContact CB-O 3.24Å; R386-F459 WeakPolarHBondContact CB-O 3.33Å; R387-F459 HydrophobicContact CB-CE1 3.92Å; R387-F459 HydrophobicContact CB-CE2 4.44Å; R387-F459 HydrophobicContact CB-CZ 3.89Å; R387-F459 PolarHBondContact N-O 2.94Å; R387-F459 WeakPolarHBondContact O-CD1 3.48Å; R387-F459 PolarHBondContact O-N 3.26Å; H389-F459 HydrophobicContact CB-CD1 4.31Å; H389-F459 HydrophobicContact CB-CE1 3.96Å; I431-F459 HydrophobicContact CG2-CE1 4.37Å; I431-F459 HydrophobicContact CG2-CZ 3.92Å; F459-F465 HydrophobicContact CD1-CB 3.81Å; F459-F465 HydrophobicContact CD2-CB 4.34Å; F459-F465 HydrophobicContact CE1-CB 4.05Å; F459-F465 HydrophobicContact CG-CB 3.98Å; F459-F465 HydrophobicContact CZ-CB 4.41Å
460E88.7Confident85.1Confident63 Ų6327.7 Ų27.729%0.29414%0.144SC..EExtended strand (participates in β ladder)trans-93.2151.6177.7-71.6161.7-159.900110.1R386 D462 R463R386-E460 HydrophobicContact CG-CG 3.73Å; R386-E460 IonicContact CZ-OE1 2.7Å; R386-E460 VanDerWaalsContact CZ-OE1 3.27Å; R386-E460 IonicContact NE-OE1 3.39Å; R386-E460 PolarHBondContact NE-OE1 2.94Å; R386-E460 VanDerWaalsContact NE-OE1 3.13Å; R386-E460 IonicContact NH2-OE1 2.68Å; R386-E460 PolarHBondContact NH2-OE1 2.99Å; E460-D462 PolarHBondContact O-N 2.83Å; E460-R463 WeakPolarHBondContact O-CG 3.33Å; E460-R463 PolarHBondContact O-N 2.92Å; E460-R463 IonicContact OE1-NH2 2.75Å; E460-R463 PolarHBondContact OE1-NH2 3.05Å; E460-R463 IonicContact OE2-CZ 2.74Å; E460-R463 IonicContact OE2-NH1 2.75Å; E460-R463 PolarHBondContact OE2-NH1 3.27Å; E460-R463 IonicContact OE2-NH2 3.37Å; E460-R463 PolarHBondContact OE2-NH2 2.94Å
461E85.1Confident86.1Confident104 Ų10430.7 Ų30.749%0.48616%0.158SC..THydrogen-bonded Turntrans-67.8-6.3-171.3-52.2-171.4123.800114.9R387R387-E461 HydrophobicContact CG-CG 4.23Å; R387-E461 IonicContact CZ-OE1 2.63Å; R387-E461 IonicContact NE-OE1 3.32Å; R387-E461 PolarHBondContact NE-OE1 3.21Å; R387-E461 IonicContact NH2-OE1 3.51Å; R387-E461 PolarHBondContact NH2-OE1 3Å
462D87.7Confident86.8Confident69 Ų6929.5 Ų29.537%0.36916%0.155SC..THydrogen-bonded Turntrans-90.93.8-179.480.8-36.9000114.4E460 R482 P483E460-D462 PolarHBondContact O-N 2.83Å; D462-R482 IonicContact OD2-CZ 3.82Å; D462-R482 IonicContact OD2-NH1 2.72Å; D462-R482 PolarHBondContact OD2-NH1 3.33Å; D462-R482 IonicContact OD2-NH2 3.83Å; D462-P483 WeakPolarHBondContact O-CD 3.28Å
463R89.7Confident87.1Confident40 Ų4034 Ų3415%0.15118%0.179CC..SBendtrans-152.8162.9-173.156178.4167.5-86.816.1113.2E460 E480 Y481E460-R463 WeakPolarHBondContact O-CG 3.33Å; E460-R463 PolarHBondContact O-N 2.92Å; E460-R463 IonicContact OE1-NH2 2.75Å; E460-R463 PolarHBondContact OE1-NH2 3.05Å; E460-R463 IonicContact OE2-CZ 2.74Å; E460-R463 IonicContact OE2-NH1 2.75Å; E460-R463 PolarHBondContact OE2-NH1 3.27Å; E460-R463 IonicContact OE2-NH2 3.37Å; E460-R463 PolarHBondContact OE2-NH2 2.94Å; R463-E480 WeakPolarHBondContact CB-O 3.23Å; R463-E480 WeakPolarHBondContact CD-O 3.47Å; R463-Y481 WeakPolarHBondContact CB-O 3.48Å
464C90.2Very high87.3Confident2 Ų235.5 Ų35.51%0.01419%0.188CC..PPolyproline II helixtrans-73.5155172.2-63.80000111.4Y481 C508 H515 W516C464-Y481 PolarHBondContact N-O 3.16Å; C464-Y481 WeakPolarHBondContact O-CB 3.45Å; C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.37Å; C464-C508 WeakPolarHBondContact SG-CA 3.48Å; C464-C508 WeakPolarHBondContact SG-CB 3.37Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.98Å; C464-H515 PolarHBondContact SG-N 2.86Å; C464-W516 HydrophobicContact CB-CD2 4.07Å; C464-W516 VanDerWaalsContact CB-CE2 3.49Å; C464-W516 HydrophobicContact CB-CG 4.48Å; C464-W516 HydrophobicContact CB-CH2 4.36Å; C464-W516 HydrophobicContact CB-CZ2 3.63Å
465F88.7Confident87.4Confident18 Ų1839.6 Ų39.68%0.07921%0.213CC..PPolyproline II helixtrans-69.1156.2170.763-97.5000111.1H389 I431 F459 P467 W516H389-F465 HydrophobicContact CB-CB 4.13Å; H389-F465 HydrophobicContact CB-CG 4.21Å; H389-F465 AromaticContact CE1-CD2 3.6Å; H389-F465 AromaticContact CE1-CE2 3.3Å; H389-F465 WeakPolarHBondContact CE1-CE2 3.05Å; H389-F465 AromaticContact CE1-CZ 3.73Å; H389-F465 AromaticContact CG-CD2 3.97Å; H389-F465 AromaticContact CG-CG 3.94Å; H389-F465 AromaticContact ND1-CD2 3.54Å; H389-F465 AromaticContact ND1-CE2 3.77Å; H389-F465 AromaticContact ND1-CG 3.98Å; H389-F465 AromaticContact NE2-CE1 3.96Å; H389-F465 AromaticContact NE2-CE2 3.64Å; H389-F465 AromaticContact NE2-CZ 3.55Å; I431-F465 HydrophobicContact CD1-CD1 4.24Å; I431-F465 HydrophobicContact CD1-CE1 4.06Å; F459-F465 HydrophobicContact CD1-CB 3.81Å; F459-F465 HydrophobicContact CD2-CB 4.34Å; F459-F465 HydrophobicContact CE1-CB 4.05Å; F459-F465 HydrophobicContact CG-CB 3.98Å; F459-F465 HydrophobicContact CZ-CB 4.41Å; F465-P467 WeakPolarHBondContact O-CD 3.08Å; F465-W516 AromaticContact CD2-NE1 3.95Å; F465-W516 AromaticContact CE1-CD1 3.73Å; F465-W516 AromaticContact CE2-CD1 3.78Å; F465-W516 AromaticContact CE2-NE1 3.87Å; F465-W516 AromaticContact CZ-CD1 3.51Å; F465-W516 WeakPolarHBondContact O-CZ2 3.24Å; F465-W516 PolarHBondContact O-NE1 3.48Å
466A87.4Confident87.5Confident22 Ų2240.2 Ų40.218%0.18222%0.221CC..PPolyproline II helixtrans-75.3117.4179.700000110.5E457 Y481E457-A466 WeakPolarHBondContact OE1-CB 2.99Å; E457-A466 PolarHBondContact OE1-N 3.02Å; A466-Y481 HydrophobicContact CB-CD2 3.96Å; A466-Y481 HydrophobicContact CB-CE2 3.41Å; A466-Y481 VanDerWaalsContact CB-CE2 3.41Å
467P86Confident87.5Confident7 Ų744.6 Ų44.65%0.04525%0.248CC..PPolyproline II helixtrans-70144.3-176.627.4-32.2000110.9F465 V474 Y481 A487 F489 I506 W516 E520F465-P467 WeakPolarHBondContact O-CD 3.08Å; P467-V474 HydrophobicContact CG-CG1 4.23Å; P467-Y481 HydrophobicContact CG-CE1 4.49Å; P467-A487 HydrophobicContact CG-CB 3.73Å; P467-F489 HydrophobicContact CB-CE1 4.11Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.37Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; P467-I506 HydrophobicContact CB-CD1 4.05Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; P467-E520 HydrophobicContact CB-CG 3.5Å
468F80.6Confident87.5Confident49 Ų4945.8 Ų45.822%0.21526%0.255CS..  trans-111.8138.8-176.8174.7-98.9000111.5H391 E393 A470H391-F468 AromaticContact CD2-CD1 3.62Å; H391-F468 AromaticContact CE1-CD1 3.99Å; H391-F468 AromaticContact NE2-CD1 3.41Å; H391-F468 WeakPolarHBondContact NE2-CD1 3.38Å; H391-F468 AromaticContact NE2-CE1 3.96Å; E393-F468 HydrophobicContact CG-CE1 4.14Å; F468-A470 HydrophobicContact CE1-CB 3.96Å; F468-A470 HydrophobicContact CZ-CB 4.39Å
469L82.7Confident87.3Confident11 Ų1150.5 Ų50.56%0.05829%0.285CS..  trans-128.5102.3178.4-174.765.3000109.8H471 G472 V474 F489 S490 P521 C523L469-H471 PolarHBondContact O-N 2.92Å; L469-G472 PolarHBondContact O-N 3Å; L469-V474 HydrophobicContact CB-CG2 3.81Å; L469-F489 HydrophobicContact CB-CD1 4.26Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.05Å; L469-F489 HydrophobicContact CD2-CD1 4.02Å; L469-F489 HydrophobicContact CG-CD1 4.47Å; L469-S490 VanDerWaalsContact CD2-O 3.27Å; L469-S490 WeakPolarHBondContact CD2-O 3.41Å; L469-P521 WeakPolarHBondContact CD1-O 3.46Å; L469-C523 HydrophobicContact CD1-CB 4.45Å
470A78.3Confident87.2Confident46 Ų4654.1 Ų54.138%0.3830%0.302SS..THydrogen-bonded Turntrans-59.1134.5171.300000109.7F468 G472 C523F468-A470 HydrophobicContact CE1-CB 3.96Å; F468-A470 HydrophobicContact CZ-CB 4.39Å; A470-G472 PolarHBondContact O-N 3.3Å; A470-C523 WeakPolarHBondContact O-CB 3.33Å
471H83.6Confident87.3Confident74 Ų7453 Ų5334%0.34330%0.295SS..THydrogen-bonded Turntrans54.432.5-179.2-51.3-63000115.4L469 L492 Y495 C523 P544L469-H471 PolarHBondContact O-N 2.92Å; H471-L492 WeakPolarHBondContact O-CB 3.22Å; H471-L492 WeakPolarHBondContact O-CG 3.5Å; H471-L492 PolarHBondContact O-N 2.88Å; H471-Y495 HydrophobicContact CB-CD1 3.73Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.57Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 4Å; H471-Y495 AromaticContact CG-CE1 3.49Å; H471-Y495 VanDerWaalsContact CG-CE1 3.49Å; H471-Y495 AromaticContact CG-CZ 3.51Å; H471-Y495 AromaticContact ND1-CZ 3.78Å; H471-Y495 PolarHBondContact ND1-OH 3.33Å; H471-C523 HydrophobicContact CB-CB 4.49Å; H471-P544 VanDerWaalsContact NE2-CD 3.31Å; H471-P544 WeakPolarHBondContact NE2-CD 3.39Å
472G85.4Confident87.7Confident16 Ų1652.1 Ų52.117%0.16529%0.288CS..EExtended strand (participates in β ladder)trans-150.5-177.7173.900000113.6L469 A470 S490L469-G472 PolarHBondContact O-N 3Å; A470-G472 PolarHBondContact O-N 3.3Å; G472-S490 CarbonylContact C-O 3.58Å; G472-S490 WeakPolarHBondContact CA-O 3.42Å
473N88.8Confident87.9Confident94 Ų9451.3 Ų51.350%0.50329%0.286SS..EExtended strand (participates in β ladder)trans-119.7139.9174.6-57.5-55.6000110S490N473-S490 PolarHBondContact N-O 3.48Å; N473-S490 PolarHBondContact O-N 2.86Å; N473-S490 PolarHBondContact O-OG 2.86Å
474V89.3Confident88Confident44 Ų4451.8 Ų51.827%0.26730%0.303SS..EExtended strand (participates in β ladder)trans-105.2136.9173.1-173.40000109.2P467 L469 A487 T488 F489P467-V474 HydrophobicContact CG-CG1 4.23Å; L469-V474 HydrophobicContact CB-CG2 3.81Å; V474-A487 HydrophobicContact CG1-CB 4.14Å; V474-T488 WeakPolarHBondContact CA-O 3.42Å; V474-F489 HydrophobicContact CG1-CD1 4.42Å; V474-F489 HydrophobicContact CG1-CE1 4.23Å; V474-F489 HydrophobicContact CG2-CD1 3.89Å; V474-F489 HydrophobicContact CG2-CE1 3.93Å
475T90.9Very high88.1Confident85 Ų8551.8 Ų51.852%0.52130%0.303SS..EExtended strand (participates in β ladder)trans-126.5129.1173.237.40000110.4T488T475-T488 PolarHBondContact N-O 3.44Å; T475-T488 PolarHBondContact O-N 3.04Å; T475-T488 PolarHBondContact O-OG1 2.95Å; T475-T488 PolarHBondContact OG1-OG1 2.91Å
476T91.1Very high88.3Confident45 Ų4554 Ų5428%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-117.6151.6-173.8179.80000112.5D478 Y481 L486T476-D478 VanDerWaalsContact C-N 3.35Å; T476-D478 VanDerWaalsContact CG2-O 3.28Å; T476-D478 WeakPolarHBondContact CG2-O 3.35Å; T476-D478 PolarHBondContact OG1-N 3.03Å; T476-D478 VanDerWaalsContact OG1-N 3.16Å; T476-D478 PolarHBondContact OG1-O 3.14Å; T476-Y481 HydrophobicContact CG2-CE1 3.82Å; T476-L486 WeakPolarHBondContact CA-O 3.45Å
477T91.7Very high88.5Confident100 Ų10053 Ų5361%0.61331%0.307SS*.SBendtrans-74.5-24.1169.556.30000113.3L486T477-L486 HydrophobicContact CG2-CB 4.03Å; T477-L486 PolarHBondContact N-O 3.07Å; T477-L486 PolarHBondContact OG1-N 3.08Å
478D89.9Confident88.7Confident43 Ų4354.5 Ų54.523%0.2332%0.317CS..  trans-137.8118.4176.2-176-7.5000109.6T476 E480 Y481 R482 A485T476-D478 VanDerWaalsContact C-N 3.35Å; T476-D478 VanDerWaalsContact CG2-O 3.28Å; T476-D478 WeakPolarHBondContact CG2-O 3.35Å; T476-D478 PolarHBondContact OG1-N 3.03Å; T476-D478 VanDerWaalsContact OG1-N 3.16Å; T476-D478 PolarHBondContact OG1-O 3.14Å; D478-E480 PolarHBondContact O-N 3.05Å; D478-E480 PolarHBondContact OD1-N 3.5Å; D478-Y481 PolarHBondContact O-N 3.49Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; D478-R482 WeakPolarHBondContact OD2-CB 3.18Å; D478-R482 WeakPolarHBondContact OD2-CG 3.47Å; D478-A485 HydrophobicContact CB-CB 3.92Å
479P88.2Confident89.1Confident108 Ų10852.6 Ų52.670%0.70131%0.308SS*.THydrogen-bonded Turntrans-68.3-13.2177.530.8-37000113.8
480E88Confident89.5Confident96 Ų9654.4 Ų54.445%0.44932%0.322SS..THydrogen-bonded Turntrans-93.96.1172.4-60.8-169.3158.100112.9R463 D478 R482R463-E480 WeakPolarHBondContact CB-O 3.23Å; R463-E480 WeakPolarHBondContact CD-O 3.47Å; D478-E480 PolarHBondContact O-N 3.05Å; D478-E480 PolarHBondContact OD1-N 3.5Å; E480-R482 HydrophobicContact CB-CG 4.02Å; E480-R482 PolarHBondContact O-N 3.31Å; E480-R482 IonicContact OE2-CZ 3.17Å; E480-R482 IonicContact OE2-NE 3.69Å; E480-R482 PolarHBondContact OE2-NE 3.3Å; E480-R482 IonicContact OE2-NH2 2.72Å; E480-R482 PolarHBondContact OE2-NH2 2.76Å
481Y91.1Very high90Very high40 Ų4053.8 Ų53.816%0.15731%0.314CS..  trans47.636172.6-58.7-69.9000115.2R463 C464 A466 P467 T476 D478 A487 C508 W516R463-Y481 WeakPolarHBondContact CB-O 3.48Å; C464-Y481 PolarHBondContact N-O 3.16Å; C464-Y481 WeakPolarHBondContact O-CB 3.45Å; A466-Y481 HydrophobicContact CB-CD2 3.96Å; A466-Y481 HydrophobicContact CB-CE2 3.41Å; A466-Y481 VanDerWaalsContact CB-CE2 3.41Å; P467-Y481 HydrophobicContact CG-CE1 4.49Å; T476-Y481 HydrophobicContact CG2-CE1 3.82Å; D478-Y481 PolarHBondContact O-N 3.49Å; D478-Y481 VanDerWaalsContact O-N 3.12Å; Y481-A487 HydrophobicContact CE1-CB 4.36Å; Y481-C508 PolarHBondContact O-SG 3.47Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CE1-CH2 4.48Å; Y481-W516 HydrophobicContact CE1-CZ2 4.47Å; Y481-W516 HydrophobicContact CG-CZ2 4.28Å
482R92.3Very high90.3Very high86 Ų8653.4 Ų53.433%0.32531%0.314SS..  trans-68.6160.7-179.6-61-177.6168.4-70.8-8111.1D462 D478 E480 G484 A485D462-R482 IonicContact OD2-CZ 3.82Å; D462-R482 IonicContact OD2-NH1 2.72Å; D462-R482 PolarHBondContact OD2-NH1 3.33Å; D462-R482 IonicContact OD2-NH2 3.83Å; D478-R482 WeakPolarHBondContact OD2-CB 3.18Å; D478-R482 WeakPolarHBondContact OD2-CG 3.47Å; E480-R482 HydrophobicContact CB-CG 4.02Å; E480-R482 PolarHBondContact O-N 3.31Å; E480-R482 IonicContact OE2-CZ 3.17Å; E480-R482 IonicContact OE2-NE 3.69Å; E480-R482 PolarHBondContact OE2-NE 3.3Å; E480-R482 IonicContact OE2-NH2 2.72Å; E480-R482 PolarHBondContact OE2-NH2 2.76Å; R482-G484 PolarHBondContact O-N 3.42Å; R482-A485 WeakPolarHBondContact O-CB 3.22Å; R482-A485 PolarHBondContact O-N 2.87Å
483P93.1Very high90.4Very high52 Ų5257 Ų5734%0.33834%0.335SS..THydrogen-bonded Turntrans-51.6123.6174-28.836.1000112.3D462 C508 P511 P514D462-P483 WeakPolarHBondContact O-CD 3.28Å; P483-C508 CarbonylContact C-O 3.43Å; P483-C508 WeakPolarHBondContact CA-O 3.42Å; P483-P511 HydrophobicContact CB-CB 4.31Å; P483-P514 HydrophobicContact CG-CB 4.17Å; P483-P514 HydrophobicContact CG-CG 3.92Å
484G90.4Very high90.3Very high49 Ų4953.9 Ų53.951%0.50533%0.325SS..THydrogen-bonded Turntrans96-0.6-169.200000115.3R482 C508R482-G484 PolarHBondContact O-N 3.42Å; G484-C508 PolarHBondContact N-O 2.78Å
485A92.4Very high90.2Very high2 Ų253.6 Ų53.62%0.01732%0.319CS..  trans-72.5139.317100000111.3D478 R482 E507 C508D478-A485 HydrophobicContact CB-CB 3.92Å; R482-A485 WeakPolarHBondContact O-CB 3.22Å; R482-A485 PolarHBondContact O-N 2.87Å; A485-E507 CarbonylContact O-C 3.59Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; A485-C508 HydrophobicContact CB-CB 4.35Å; A485-C508 PolarHBondContact O-N 3.44Å
486L93.1Very high90.1Very high65 Ų6551.5 Ų51.534%0.3431%0.31SS..EExtended strand (participates in β ladder)trans-116115.9177.3-176.179.9000109T476 T477 T488 A505 I506 E507T476-L486 WeakPolarHBondContact CA-O 3.45Å; T477-L486 HydrophobicContact CG2-CB 4.03Å; T477-L486 PolarHBondContact N-O 3.07Å; T477-L486 PolarHBondContact OG1-N 3.08Å; L486-T488 HydrophobicContact CD2-CG2 4.14Å; L486-T488 HydrophobicContact CG-CG2 4.34Å; L486-A505 HydrophobicContact CD1-CB 3.94Å; L486-A505 HydrophobicContact CD2-CB 4.43Å; L486-A505 HydrophobicContact CG-CB 4.13Å; L486-I506 CarbonylContact C-O 3.57Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; L486-E507 HydrophobicContact CD1-CB 4.24Å
487A91.3Very high89.8Confident0 Ų051.3 Ų51.30%031%0.307CS..EExtended strand (participates in β ladder)trans-98.3120.1174.400000109.7P467 V474 Y481 A505 I506 W516P467-A487 HydrophobicContact CG-CB 3.73Å; V474-A487 HydrophobicContact CG1-CB 4.14Å; Y481-A487 HydrophobicContact CE1-CB 4.36Å; A487-A505 CarbonylContact O-C 3.45Å; A487-A505 WeakPolarHBondContact O-CA 3.37Å; A487-A505 WeakPolarHBondContact O-CB 3.44Å; A487-I506 HydrophobicContact CB-CG1 4.15Å; A487-I506 PolarHBondContact N-O 3.49Å; A487-I506 PolarHBondContact O-N 3.31Å; A487-W516 HydrophobicContact CB-CH2 3.9Å; A487-W516 HydrophobicContact CB-CZ3 4.2Å
488T90.9Very high89.4Confident40 Ų4050.2 Ų50.225%0.24530%0.296CS..EExtended strand (participates in β ladder)trans-105.9144.7-17964.60000111V474 T475 L486 A505V474-T488 WeakPolarHBondContact CA-O 3.42Å; T475-T488 PolarHBondContact N-O 3.44Å; T475-T488 PolarHBondContact O-N 3.04Å; T475-T488 PolarHBondContact O-OG1 2.95Å; T475-T488 PolarHBondContact OG1-OG1 2.91Å; L486-T488 HydrophobicContact CD2-CG2 4.14Å; L486-T488 HydrophobicContact CG-CG2 4.34Å; T488-A505 HydrophobicContact CG2-CB 3.7Å
489F89.5Confident88.5Confident9 Ų952.8 Ų52.84%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-114.8143.4-170.5-60.3-79.4000112.7P467 L469 V474 L497 N504 I506 E520 P521P467-F489 HydrophobicContact CB-CE1 4.11Å; P467-F489 HydrophobicContact CB-CZ 4.02Å; P467-F489 HydrophobicContact CG-CE1 4.37Å; P467-F489 HydrophobicContact CG-CZ 4.24Å; L469-F489 HydrophobicContact CB-CD1 4.26Å; L469-F489 HydrophobicContact CD1-CD1 4.38Å; L469-F489 HydrophobicContact CD2-CB 4.05Å; L469-F489 HydrophobicContact CD2-CD1 4.02Å; L469-F489 HydrophobicContact CG-CD1 4.47Å; V474-F489 HydrophobicContact CG1-CD1 4.42Å; V474-F489 HydrophobicContact CG1-CE1 4.23Å; V474-F489 HydrophobicContact CG2-CD1 3.89Å; V474-F489 HydrophobicContact CG2-CE1 3.93Å; F489-L497 HydrophobicContact CB-CD2 4.18Å; F489-N504 PolarHBondContact N-O 3.05Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.07Å; F489-I506 HydrophobicContact CE2-CG1 3.74Å; F489-I506 HydrophobicContact CE2-CG2 4.1Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.82Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.31Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 4.11Å; F489-P521 HydrophobicContact CB-CG 3.81Å; F489-P521 HydrophobicContact CD1-CG 4.22Å; F489-P521 VanDerWaalsContact CD2-CD 3.44Å; F489-P521 HydrophobicContact CD2-CG 3.62Å; F489-P521 HydrophobicContact CE2-CG 4.22Å; F489-P521 HydrophobicContact CG-CG 3.61Å
490S89.4Confident87.3Confident49 Ų4953.1 Ų53.134%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-147.9137.5176.960.70000111L469 G472 N473L469-S490 VanDerWaalsContact CD2-O 3.27Å; L469-S490 WeakPolarHBondContact CD2-O 3.41Å; G472-S490 CarbonylContact C-O 3.58Å; G472-S490 WeakPolarHBondContact CA-O 3.42Å; N473-S490 PolarHBondContact N-O 3.48Å; N473-S490 PolarHBondContact O-N 2.86Å; N473-S490 PolarHBondContact O-OG 2.86Å
491C89.9Confident85.9Confident32 Ų3250.5 Ų50.522%0.21632%0.315CS..EExtended strand (participates in β ladder)trans-89.9156.5-179.6-61.60000113Y495 L497 C523C491-Y495 WeakPolarHBondContact CB-O 3.28Å; C491-L497 WeakPolarHBondContact SG-CD2 3.39Å; C491-L497 PolarHBondContact SG-N 2.83Å; C491-C523 WeakPolarHBondContact CA-SG 3.39Å; C491-C523 HydrophobicContact CB-CB 3.9Å; C491-C523 WeakPolarHBondContact CB-SG 3.29Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.88Å
492L90.1Very high84.6Confident67 Ų6754.2 Ų54.235%0.35135%0.345SS..PPolyproline II helixtrans-70.8156.5168.9-66175.9000111.1H471 G494 Y495H471-L492 WeakPolarHBondContact O-CB 3.22Å; H471-L492 WeakPolarHBondContact O-CG 3.5Å; H471-L492 PolarHBondContact O-N 2.88Å; L492-G494 PolarHBondContact O-N 3.32Å; L492-Y495 HydrophobicContact CB-CD2 4.2Å; L492-Y495 PolarHBondContact O-N 2.81Å
493P88.1Confident83.2Confident91 Ų9153.6 Ų53.659%0.59135%0.351SS*.THydrogen-bonded Turntrans-53.4128.3178.6-27.836000113.1V537P493-V537 HydrophobicContact CB-CG2 4.15Å
494G85.3Confident82.5Confident29 Ų2955.3 Ų55.330%0.29936%0.358SS..THydrogen-bonded Turntrans97.1-9.5-175.900000115L492 V537L492-G494 PolarHBondContact O-N 3.32Å; G494-V537 WeakPolarHBondContact CA-O 3.47Å
495Y88.5Confident82.4Confident37 Ų3753.8 Ų53.815%0.14534%0.341CS..  trans-113.8153.2175-57.2-103.1000111H471 C491 L492 K524 A525 L539 W543H471-Y495 HydrophobicContact CB-CD1 3.73Å; H471-Y495 HydrophobicContact CB-CD2 4.05Å; H471-Y495 HydrophobicContact CB-CE1 3.57Å; H471-Y495 HydrophobicContact CB-CE2 3.9Å; H471-Y495 HydrophobicContact CB-CG 3.98Å; H471-Y495 AromaticContact CD2-CE1 3.61Å; H471-Y495 AromaticContact CD2-CZ 4Å; H471-Y495 AromaticContact CG-CE1 3.49Å; H471-Y495 VanDerWaalsContact CG-CE1 3.49Å; H471-Y495 AromaticContact CG-CZ 3.51Å; H471-Y495 AromaticContact ND1-CZ 3.78Å; H471-Y495 PolarHBondContact ND1-OH 3.33Å; C491-Y495 WeakPolarHBondContact CB-O 3.28Å; L492-Y495 HydrophobicContact CB-CD2 4.2Å; L492-Y495 PolarHBondContact O-N 2.81Å; Y495-K524 CarbonylContact C-O 3.56Å; Y495-K524 WeakPolarHBondContact CA-O 3.46Å; Y495-A525 HydrophobicContact CD1-CB 4.46Å; Y495-L539 HydrophobicContact CD1-CD1 4.47Å; Y495-L539 HydrophobicContact CD2-CD1 3.79Å; Y495-L539 HydrophobicContact CE1-CD1 4.13Å; Y495-L539 HydrophobicContact CE2-CD1 3.4Å; Y495-L539 VanDerWaalsContact CE2-CD1 3.4Å; Y495-L539 HydrophobicContact CG-CD1 4.3Å; Y495-W543 VanDerWaalsContact CE1-O 3.32Å; Y495-W543 WeakPolarHBondContact CE1-O 3.49Å
496A86.9Confident82.2Confident41 Ų4153.8 Ų53.834%0.33934%0.34SS..EExtended strand (participates in β ladder)trans-132.6159.2173.100000111.6C523 K524 M526A496-C523 WeakPolarHBondContact O-CA 3.38Å; A496-K524 PolarHBondContact N-O 2.8Å; A496-K524 PolarHBondContact O-N 3.09Å; A496-M526 HydrophobicContact CB-CG 3.72Å
497L86.3Confident82.1Confident41 Ų4154.9 Ų54.922%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-73.9132.7179.7-66.5170.5000111.3F489 C491 N504 P521 A522F489-L497 HydrophobicContact CB-CD2 4.18Å; C491-L497 WeakPolarHBondContact SG-CD2 3.39Å; C491-L497 PolarHBondContact SG-N 2.83Å; L497-N504 HydrophobicContact CD1-CB 4.16Å; L497-P521 HydrophobicContact CD2-CB 4.03Å; L497-P521 HydrophobicContact CD2-CG 3.83Å; L497-A522 CarbonylContact C-O 3.55Å; L497-A522 WeakPolarHBondContact CA-O 3.32Å
498E82.2Confident82.2Confident78 Ų7854.9 Ų54.936%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-116.7132.6168.2-169.7179.1-143.400109.5A522 K524E498-A522 PolarHBondContact N-O 2.84Å; E498-A522 PolarHBondContact O-N 2.88Å; E498-K524 VanDerWaalsContact OE2-CD 3.24Å; E498-K524 WeakPolarHBondContact OE2-CD 3.06Å; E498-K524 WeakPolarHBondContact OE2-CE 3.39Å; E498-K524 IonicContact OE2-NZ 3.5Å; E498-K524 PolarHBondContact OE2-NZ 2.85Å
499P71.9Confident82.2Confident96 Ų9654.8 Ų54.862%0.62334%0.343SS*.SBendcis-68.3149.2-2.729.9-35.9000112.9G501P499-G501 VanDerWaalsContact C-N 3.35Å; P499-G501 PolarHBondContact O-N 2.89Å
500P62.4Low82.1Confident115 Ų11557.6 Ų57.675%0.74736%0.359SS*.SBendtrans-7582.4-177.330.3-35.8000112.1
501G59.3Low82Confident41 Ų4160.6 Ų60.642%0.42338%0.377SS..SBendtrans176.6174.917500000112.8P499P499-G501 VanDerWaalsContact C-N 3.35Å; P499-G501 PolarHBondContact O-N 2.89Å
502P62.6Low81.8Confident119 Ų11965 Ų6577%0.77340%0.403SS*.SBendtrans-69.6150.116531.2-33.7000110.4
503P63.4Low81.6Confident72 Ų7268.2 Ų68.247%0.46842%0.416SS..  cis-82.3124.71131.5-34.1000113.9A505P503-A505 WeakPolarHBondContact CB-O 3.38Å; P503-A505 PolarHBondContact O-N 2.87Å
504N79.2Confident81.6Confident88 Ų8865.1 Ų65.147%0.47140%0.396SS..SBendtrans-85.620166.367.7-48.9000112F489 L497F489-N504 PolarHBondContact N-O 3.05Å; L497-N504 HydrophobicContact CD1-CB 4.16Å
505A87.2Confident81.7Confident18 Ų1868.3 Ų68.315%0.14940%0.403CS..EExtended strand (participates in β ladder)trans-160.7137.2-175.800000112.2L486 A487 T488 P503L486-A505 HydrophobicContact CD1-CB 3.94Å; L486-A505 HydrophobicContact CD2-CB 4.43Å; L486-A505 HydrophobicContact CG-CB 4.13Å; A487-A505 CarbonylContact O-C 3.45Å; A487-A505 WeakPolarHBondContact O-CA 3.37Å; A487-A505 WeakPolarHBondContact O-CB 3.44Å; T488-A505 HydrophobicContact CG2-CB 3.7Å; P503-A505 WeakPolarHBondContact CB-O 3.38Å; P503-A505 PolarHBondContact O-N 2.87Å
506I89.2Confident81.7Confident2 Ų267.2 Ų67.21%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-110.6150.5176.260.8-179.9000111.2P467 L486 A487 F489 W516 N517 D518 E520P467-I506 HydrophobicContact CB-CD1 4.05Å; P467-I506 HydrophobicContact CG-CD1 4.32Å; L486-I506 CarbonylContact C-O 3.57Å; L486-I506 WeakPolarHBondContact CA-O 3.41Å; A487-I506 HydrophobicContact CB-CG1 4.15Å; A487-I506 PolarHBondContact N-O 3.49Å; A487-I506 PolarHBondContact O-N 3.31Å; F489-I506 HydrophobicContact CE2-CB 4.38Å; F489-I506 HydrophobicContact CE2-CD1 4.07Å; F489-I506 HydrophobicContact CE2-CG1 3.74Å; F489-I506 HydrophobicContact CE2-CG2 4.1Å; F489-I506 HydrophobicContact CZ-CD1 3.72Å; F489-I506 HydrophobicContact CZ-CG1 3.82Å; I506-W516 HydrophobicContact CB-CE3 3.97Å; I506-W516 HydrophobicContact CD1-CB 4.08Å; I506-W516 HydrophobicContact CD1-CD2 3.54Å; I506-W516 HydrophobicContact CD1-CE3 3.67Å; I506-W516 HydrophobicContact CD1-CG 3.71Å; I506-W516 HydrophobicContact CD1-CZ3 4.33Å; I506-W516 HydrophobicContact CG1-CD2 3.91Å; I506-W516 HydrophobicContact CG1-CE3 3.46Å; I506-W516 VanDerWaalsContact CG1-CE3 3.46Å; I506-W516 HydrophobicContact CG1-CG 4.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-W516 WeakPolarHBondContact O-CZ3 3.34Å; I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; I506-D518 HydrophobicContact CG2-CB 4.04Å; I506-E520 HydrophobicContact CD1-CG 4.28Å
507E90.9Very high81.8Confident87 Ų8769 Ų6941%0.40740%0.402SS..EExtended strand (participates in β ladder)trans-115133.5-178.3-171.2-179.417800110.4A485 L486 V509 N517A485-E507 CarbonylContact O-C 3.59Å; A485-E507 WeakPolarHBondContact O-CA 3.38Å; L486-E507 HydrophobicContact CD1-CB 4.24Å; E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.19Å; E507-V509 PolarHBondContact O-N 3.32Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 3.46Å; E507-N517 PolarHBondContact O-OD1 2.92Å
508C92.7Very high81.7Confident0 Ų070.2 Ų70.20%041%0.409CS..EExtended strand (participates in β ladder)trans-78109.5174.8-177.30000108.5C464 Y481 P483 G484 A485 W516C464-C508 HydrophobicContact CB-CB 3.86Å; C464-C508 WeakPolarHBondContact CB-SG 3.37Å; C464-C508 WeakPolarHBondContact SG-CA 3.48Å; C464-C508 WeakPolarHBondContact SG-CB 3.37Å; C464-C508 CovalentContact SG-SG 2.04Å; C464-C508 PolarHBondContact SG-SG 2.98Å; Y481-C508 PolarHBondContact O-SG 3.47Å; P483-C508 CarbonylContact C-O 3.43Å; P483-C508 WeakPolarHBondContact CA-O 3.42Å; G484-C508 PolarHBondContact N-O 2.78Å; A485-C508 HydrophobicContact CB-CB 4.35Å; A485-C508 PolarHBondContact O-N 3.44Å; C508-W516 HydrophobicContact CB-CE3 4.05Å; C508-W516 HydrophobicContact CB-CH2 4Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å
509V91.6Very high81.6Confident39 Ų3968.6 Ų68.624%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-111.1164-173.6-66.80000112E507 P514 H515 N517E507-V509 HydrophobicContact CB-CG1 4.38Å; E507-V509 HydrophobicContact CG-CG1 4.19Å; E507-V509 PolarHBondContact O-N 3.32Å; V509-P514 WeakPolarHBondContact O-CA 3.31Å; V509-H515 VanDerWaalsContact CG2-O 3.26Å; V509-H515 WeakPolarHBondContact CG2-O 3.16Å; V509-H515 PolarHBondContact N-O 3.49Å; V509-H515 PolarHBondContact O-N 3.44Å; V509-N517 HydrophobicContact CG1-CB 3.98Å; V509-N517 HydrophobicContact CG2-CB 3.92Å
510D86.9Confident82Confident68 Ų6865.3 Ų65.336%0.36438%0.381SS..  trans63.6114.8-173.7-156.8-62.4000115.1T512 E513 P514D510-T512 VanDerWaalsContact C-N 3.26Å; D510-T512 PolarHBondContact O-N 2.68Å; D510-T512 WeakPolarHBondContact OD1-CA 3.44Å; D510-T512 WeakPolarHBondContact OD1-CB 3.35Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 2.87Å; D510-E513 PolarHBondContact OD1-N 3.13Å; D510-P514 WeakPolarHBondContact O-CA 3.48Å
511P86.8Confident83.1Confident111 Ų11160.6 Ų60.672%0.72135%0.35SS*.SBendtrans-83.65.617936.3-36.6000114P483P483-P511 HydrophobicContact CB-CB 4.31Å
512T86.4Confident84.2Confident126 Ų12660.7 Ų60.777%0.77335%0.347SS*.SBendtrans-117.2-29.2179.258.50000113.5D510D510-T512 VanDerWaalsContact C-N 3.26Å; D510-T512 PolarHBondContact O-N 2.68Å; D510-T512 WeakPolarHBondContact OD1-CA 3.44Å; D510-T512 WeakPolarHBondContact OD1-CB 3.35Å; D510-T512 PolarHBondContact OD1-N 2.82Å; D510-T512 PolarHBondContact OD1-OG1 2.87Å
513E85.6Confident85.4Confident134 Ų13455.5 Ų55.563%0.62631%0.314SS*.SBendtrans-13980.9168.1-174.1160.1-144.800109.5D510 H515D510-E513 PolarHBondContact OD1-N 3.13Å; E513-H515 PolarHBondContact O-N 2.56Å; E513-H515 PolarHBondContact O-ND1 3.36Å
514P88.2Confident86.4Confident26 Ų2656.6 Ų56.617%0.16931%0.311CS..  trans-60.8122.8-169.8-2737.1000113.9P483 V509 D510P483-P514 HydrophobicContact CG-CB 4.17Å; P483-P514 HydrophobicContact CG-CG 3.92Å; V509-P514 WeakPolarHBondContact O-CA 3.31Å; D510-P514 WeakPolarHBondContact O-CA 3.48Å
515H88Confident86.9Confident95 Ų9552.6 Ų52.644%0.4429%0.29SS..EExtended strand (participates in β ladder)trans-146.2156.917960.4-82.4000112.3C464 V509 E513C464-H515 PolarHBondContact SG-N 2.86Å; V509-H515 VanDerWaalsContact CG2-O 3.26Å; V509-H515 WeakPolarHBondContact CG2-O 3.16Å; V509-H515 PolarHBondContact N-O 3.49Å; V509-H515 PolarHBondContact O-N 3.44Å; E513-H515 PolarHBondContact O-N 2.56Å; E513-H515 PolarHBondContact O-ND1 3.36Å
516W88Confident86.9Confident14 Ų1455.4 Ų55.45%0.05330%0.301CS..EExtended strand (participates in β ladder)trans-72.9136.9173.8-67.8116.3000111.4C464 F465 P467 Y481 A487 I506 C508 D518C464-W516 HydrophobicContact CB-CD2 4.07Å; C464-W516 VanDerWaalsContact CB-CE2 3.49Å; C464-W516 HydrophobicContact CB-CG 4.48Å; C464-W516 HydrophobicContact CB-CH2 4.36Å; C464-W516 HydrophobicContact CB-CZ2 3.63Å; F465-W516 AromaticContact CD2-NE1 3.95Å; F465-W516 AromaticContact CE1-CD1 3.73Å; F465-W516 AromaticContact CE2-CD1 3.78Å; F465-W516 AromaticContact CE2-NE1 3.87Å; F465-W516 AromaticContact CZ-CD1 3.51Å; F465-W516 WeakPolarHBondContact O-CZ2 3.24Å; F465-W516 PolarHBondContact O-NE1 3.48Å; P467-W516 HydrophobicContact CG-CZ2 4.06Å; Y481-W516 AromaticContact CD1-CH2 3.78Å; Y481-W516 HydrophobicContact CD1-CH2 3.78Å; Y481-W516 AromaticContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CD1-CZ2 3.79Å; Y481-W516 HydrophobicContact CE1-CH2 4.48Å; Y481-W516 HydrophobicContact CE1-CZ2 4.47Å; Y481-W516 HydrophobicContact CG-CZ2 4.28Å; A487-W516 HydrophobicContact CB-CH2 3.9Å; A487-W516 HydrophobicContact CB-CZ3 4.2Å; I506-W516 HydrophobicContact CB-CE3 3.97Å; I506-W516 HydrophobicContact CD1-CB 4.08Å; I506-W516 HydrophobicContact CD1-CD2 3.54Å; I506-W516 HydrophobicContact CD1-CE3 3.67Å; I506-W516 HydrophobicContact CD1-CG 3.71Å; I506-W516 HydrophobicContact CD1-CZ3 4.33Å; I506-W516 HydrophobicContact CG1-CD2 3.91Å; I506-W516 HydrophobicContact CG1-CE3 3.46Å; I506-W516 VanDerWaalsContact CG1-CE3 3.46Å; I506-W516 HydrophobicContact CG1-CG 4.47Å; I506-W516 HydrophobicContact CG1-CZ3 3.82Å; I506-W516 WeakPolarHBondContact O-CZ3 3.34Å; C508-W516 HydrophobicContact CB-CE3 4.05Å; C508-W516 HydrophobicContact CB-CH2 4Å; C508-W516 HydrophobicContact CB-CZ3 3.73Å; W516-D518 VanDerWaalsContact C-N 3.32Å; W516-D518 PolarHBondContact O-N 3.23Å
517N88.8Confident86.9Confident79 Ų7958.1 Ų58.142%0.42232%0.32SS..SBendtrans-68.4-28.1-178.966.6-16.5000114I506 E507 V509I506-N517 WeakPolarHBondContact CA-OD1 3.33Å; E507-N517 PolarHBondContact N-OD1 2.85Å; E507-N517 PolarHBondContact O-N 3.46Å; E507-N517 PolarHBondContact O-OD1 2.92Å; V509-N517 HydrophobicContact CG1-CB 3.98Å; V509-N517 HydrophobicContact CG2-CB 3.92Å
518D84.3Confident86.8Confident67 Ų6754.7 Ų54.736%0.35831%0.308SS..SBendtrans-145.4177.5179.4-148.6-12.7000110.4I506 W516I506-D518 HydrophobicContact CG2-CB 4.04Å; W516-D518 VanDerWaalsContact C-N 3.32Å; W516-D518 PolarHBondContact O-N 3.23Å
519T80.1Confident86.7Confident44 Ų4456.6 Ų56.627%0.2733%0.328SS..PPolyproline II helixtrans-82.4153.7-178.857.60000113.8R428R428-T519 HydrophobicContact CG-CG2 3.65Å; R428-T519 VanDerWaalsContact NE-CG2 3.25Å
520E81.3Confident86.7Confident26 Ų2663.7 Ų63.712%0.12136%0.358CS..PPolyproline II helixtrans-58.7132163.3-57.398.612200111.2P467 F489 I506P467-E520 HydrophobicContact CB-CG 3.5Å; F489-E520 HydrophobicContact CE1-CB 4.4Å; F489-E520 HydrophobicContact CE1-CG 4.31Å; F489-E520 HydrophobicContact CZ-CB 4.3Å; F489-E520 HydrophobicContact CZ-CG 4.11Å; I506-E520 HydrophobicContact CD1-CG 4.28Å
521P84.6Confident86.9Confident16 Ų1663 Ų6310%0.10435%0.354CS..PPolyproline II helixtrans-75.5155.5173.332.2-35.3000111.2L469 F489 L497L469-P521 WeakPolarHBondContact CD1-O 3.46Å; F489-P521 HydrophobicContact CB-CG 3.81Å; F489-P521 HydrophobicContact CD1-CG 4.22Å; F489-P521 VanDerWaalsContact CD2-CD 3.44Å; F489-P521 HydrophobicContact CD2-CG 3.62Å; F489-P521 HydrophobicContact CE2-CG 4.22Å; F489-P521 HydrophobicContact CG-CG 3.61Å; L497-P521 HydrophobicContact CD2-CB 4.03Å; L497-P521 HydrophobicContact CD2-CG 3.83Å
522A82.8Confident87.1Confident43 Ų4362 Ų6236%0.35535%0.35SS..EExtended strand (participates in β ladder)trans-95139.3176.300000111.6L497 E498L497-A522 CarbonylContact C-O 3.55Å; L497-A522 WeakPolarHBondContact CA-O 3.32Å; E498-A522 PolarHBondContact N-O 2.84Å; E498-A522 PolarHBondContact O-N 2.88Å
523C87.3Confident87.3Confident11 Ų1161.5 Ų61.57%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-92.7116.8165.5-71.10000110.3L469 A470 H471 C491 A496L469-C523 HydrophobicContact CD1-CB 4.45Å; A470-C523 WeakPolarHBondContact O-CB 3.33Å; H471-C523 HydrophobicContact CB-CB 4.49Å; C491-C523 WeakPolarHBondContact CA-SG 3.39Å; C491-C523 HydrophobicContact CB-CB 3.9Å; C491-C523 WeakPolarHBondContact CB-SG 3.29Å; C491-C523 WeakPolarHBondContact SG-CB 3.06Å; C491-C523 CovalentContact SG-SG 2.04Å; C491-C523 PolarHBondContact SG-SG 2.88Å; A496-C523 WeakPolarHBondContact O-CA 3.38Å
524K85.4Confident87.5Confident94 Ų9458.3 Ų58.341%0.40933%0.329SS..EExtended strand (participates in β ladder)trans-122.4151.9177.1-66.9-171.3-171.3162.70112.4Y495 A496 E498 M526Y495-K524 CarbonylContact C-O 3.56Å; Y495-K524 WeakPolarHBondContact CA-O 3.46Å; A496-K524 PolarHBondContact N-O 2.8Å; A496-K524 PolarHBondContact O-N 3.09Å; E498-K524 VanDerWaalsContact OE2-CD 3.24Å; E498-K524 WeakPolarHBondContact OE2-CD 3.06Å; E498-K524 WeakPolarHBondContact OE2-CE 3.39Å; E498-K524 IonicContact OE2-NZ 3.5Å; E498-K524 PolarHBondContact OE2-NZ 2.85Å; K524-M526 PolarHBondContact O-N 2.8Å
525A89.2Confident87.7Confident4 Ų459.8 Ų59.83%0.03334%0.344CS..  trans-76.4109.1170.800000109.6Y495 L539 S540 D542 W543Y495-A525 HydrophobicContact CD1-CB 4.46Å; A525-L539 HydrophobicContact CB-CB 3.89Å; A525-L539 HydrophobicContact CB-CD1 4.12Å; A525-S540 WeakPolarHBondContact CB-O 3.38Å; A525-D542 PolarHBondContact O-N 3.15Å; A525-W543 HydrophobicContact CB-CB 4.12Å
526M86.9Confident87.9Confident77 Ų7756 Ų5638%0.37933%0.331SS..  trans-79.5143-170.4-60.2-62.1-82.400113.1A496 K524 G528 W555A496-M526 HydrophobicContact CB-CG 3.72Å; K524-M526 PolarHBondContact O-N 2.8Å; M526-G528 PolarHBondContact O-N 2.87Å; M526-G528 VanDerWaalsContact O-N 3.07Å; M526-W555 WeakPolarHBondContact O-CZ2 3.45Å; M526-W555 PolarHBondContact O-NE1 3.4Å
527C89.8Confident88.2Confident60 Ų6056.4 Ų56.441%0.40534%0.335SS..SBendtrans-73.694.5170.5178.50000110.6P541 C553C527-P541 HydrophobicContact CB-CB 4.46Å; C527-P541 HydrophobicContact CB-CG 4.1Å; C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.05Å; C527-C553 WeakPolarHBondContact CB-SG 3.27Å; C527-C553 WeakPolarHBondContact SG-CA 3.5Å; C527-C553 WeakPolarHBondContact SG-CB 3.48Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.92Å
528G89.3Confident88.4Confident15 Ų1552.8 Ų52.816%0.15532%0.315CS..SBendtrans85.7179.3179.200000115.1M526 V554 W555M526-G528 PolarHBondContact O-N 2.87Å; M526-G528 VanDerWaalsContact O-N 3.07Å; G528-V554 CarbonylContact C-O 3.55Å; G528-V554 WeakPolarHBondContact CA-O 3.34Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.3Å
529G89.8Confident88.7Confident40 Ų4050 Ų5041%0.41230%0.301SS..EExtended strand (participates in β ladder)trans143.3173.8178.900000113.8V554 W555 G556G529-V554 PolarHBondContact N-O 2.84Å; G529-W555 CarbonylContact O-C 3.49Å; G529-W555 VanDerWaalsContact O-CA 3.23Å; G529-W555 WeakPolarHBondContact O-CA 3.29Å; G529-G556 PolarHBondContact O-N 2.83Å
530E91.1Very high89.2Confident187 Ų18748 Ų4887%0.87429%0.288SS*.EExtended strand (participates in β ladder)trans-107.1136.6172.7-71176.2-173.300110G556E530-G556 WeakPolarHBondContact CA-O 3.44Å
531L90.9Very high89.6Confident54 Ų5446.8 Ų46.828%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-134.8110.4-172-71.4170.8000109.5V538 G556 L557 H558 F635L531-V538 HydrophobicContact CD1-CG2 3.81Å; L531-G556 PolarHBondContact N-O 2.85Å; L531-L557 HydrophobicContact CB-CD2 3.91Å; L531-L557 HydrophobicContact CD1-CD2 3.83Å; L531-L557 WeakPolarHBondContact O-CA 3.23Å; L531-H558 PolarHBondContact O-N 3.34Å; L531-F635 HydrophobicContact CB-CZ 4.23Å; L531-F635 HydrophobicContact CD1-CE1 4.27Å
532S91.9Very high89.4Confident90 Ų9048.8 Ų48.863%0.62929%0.292SS*.  trans-110.312.9-173.645.20000114.4H558S532-H558 CarbonylContact C-O 3.57Å; S532-H558 WeakPolarHBondContact CA-O 3.32Å
533E89.8Confident89.4Confident116 Ų11648.8 Ų48.854%0.54228%0.283SS..  trans-77.3148.7-178.7-66.3-61153.100112.4A535 F635E533-A535 PolarHBondContact O-N 3.4Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å
534P89.9Confident88.6Confident66 Ų6651.2 Ų51.243%0.42930%0.299SS..SBendtrans-67.5-18.917829-35.6000113K636 E637P534-K636 CarbonylContact O-C 3.59Å; P534-K636 WeakPolarHBondContact O-CA 3.3Å; P534-E637 HydrophobicContact CB-CG 4.09Å; P534-E637 PolarHBondContact O-N 3.42Å
535A92.9Very high88.1Confident58 Ų5852.1 Ų52.148%0.47930%0.304SS..EExtended strand (participates in β ladder)trans-155.9150.7168.600000110.6E533 F635 K636E533-A535 PolarHBondContact O-N 3.4Å; A535-F635 CarbonylContact C-O 3.57Å; A535-F635 VanDerWaalsContact CA-O 3.28Å; A535-F635 WeakPolarHBondContact CA-O 3.37Å; A535-K636 HydrophobicContact CB-CB 3.73Å
536G91.8Very high87.3Confident16 Ų1655.3 Ų55.317%0.16533%0.327CS..EExtended strand (participates in β ladder)trans-172.7-166.4-18000000113.9F635G536-F635 PolarHBondContact N-O 2.93Å; G536-F635 WeakPolarHBondContact O-CD1 3.31Å; G536-F635 PolarHBondContact O-N 3.07Å
537V93.8Very high87Confident22 Ų2251.7 Ų51.713%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-132.5134.2-177.1-165.10000109.2P493 G494 L539 V632 L633P493-V537 HydrophobicContact CB-CG2 4.15Å; G494-V537 WeakPolarHBondContact CA-O 3.47Å; V537-L539 HydrophobicContact CG1-CD2 3.72Å; V537-L539 HydrophobicContact CG1-CG 4.24Å; V537-V632 HydrophobicContact CG1-CG1 3.99Å; V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.31Å
538V93.9Very high86.5Confident2 Ų251.7 Ų51.71%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-110.8125.3167.6-172.90000107.9L531 W555 L557 L614 F631 L633 F635L531-V538 HydrophobicContact CD1-CG2 3.81Å; V538-W555 HydrophobicContact CG1-CB 4.43Å; V538-W555 HydrophobicContact CG1-CD2 3.67Å; V538-W555 HydrophobicContact CG1-CE3 4.21Å; V538-W555 HydrophobicContact CG1-CG 3.78Å; V538-W555 HydrophobicContact CG1-CZ2 4.36Å; V538-L557 HydrophobicContact CG2-CD2 3.92Å; V538-L614 HydrophobicContact CB-CD1 4.16Å; V538-L614 HydrophobicContact CG1-CD1 4.09Å; V538-L614 HydrophobicContact CG2-CD1 4Å; V538-F631 HydrophobicContact CG1-CE2 4.45Å; V538-L633 HydrophobicContact CB-CB 4.34Å; V538-L633 HydrophobicContact CB-CD1 4.42Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.26Å; V538-F635 HydrophobicContact CG2-CD1 4.24Å; V538-F635 HydrophobicContact CG2-CE1 4.37Å
539L91.4Very high85.9Confident10 Ų1053.3 Ų53.35%0.05232%0.317CS..EExtended strand (participates in β ladder)trans-108.9155.6-178.8-58.6176.4000109.3Y495 A525 V537 W543 W555 F631 V632Y495-L539 HydrophobicContact CD1-CD1 4.47Å; Y495-L539 HydrophobicContact CD2-CD1 3.79Å; Y495-L539 HydrophobicContact CE1-CD1 4.13Å; Y495-L539 HydrophobicContact CE2-CD1 3.4Å; Y495-L539 VanDerWaalsContact CE2-CD1 3.4Å; Y495-L539 HydrophobicContact CG-CD1 4.3Å; A525-L539 HydrophobicContact CB-CB 3.89Å; A525-L539 HydrophobicContact CB-CD1 4.12Å; V537-L539 HydrophobicContact CG1-CD2 3.72Å; V537-L539 HydrophobicContact CG1-CG 4.24Å; L539-W543 HydrophobicContact CB-CB 4.08Å; L539-W543 HydrophobicContact CB-CG 4.31Å; L539-W543 HydrophobicContact CD2-CG 4.29Å; L539-W555 WeakPolarHBondContact O-CZ2 3.44Å; L539-F631 VanDerWaalsContact C-CE2 3.49Å; L539-F631 WeakPolarHBondContact CA-O 3.29Å; L539-V632 HydrophobicContact CD2-CB 4.35Å; L539-V632 HydrophobicContact CD2-CG1 4.04Å; L539-V632 HydrophobicContact CD2-CG2 3.93Å
540S90.1Very high85.5Confident0 Ų053.4 Ų53.40%032%0.319CS..  trans-65.6154.5164.253.50000110.7A525 W543 G630 F631A525-S540 WeakPolarHBondContact CB-O 3.38Å; S540-W543 VanDerWaalsContact O-CB 3.23Å; S540-W543 WeakPolarHBondContact O-CB 3.45Å; S540-W543 PolarHBondContact O-N 2.72Å; S540-G630 VanDerWaalsContact OG-CA 3.22Å; S540-G630 WeakPolarHBondContact OG-CA 3.23Å; S540-F631 PolarHBondContact N-O 2.99Å; S540-F631 PolarHBondContact OG-N 3.41Å; S540-F631 VanDerWaalsContact OG-N 3.15Å
541P88.4Confident85.3Confident2 Ų246.8 Ų46.81%0.01329%0.288CS..THydrogen-bonded Turntrans-50.8145.2172.8-25.134.4000111.6C527 W543 Y547 C553 F616C527-P541 HydrophobicContact CB-CB 4.46Å; C527-P541 HydrophobicContact CB-CG 4.1Å; P541-W543 PolarHBondContact O-N 3.14Å; P541-Y547 WeakPolarHBondContact O-CB 3.26Å; P541-C553 WeakPolarHBondContact CG-SG 3.3Å; P541-F616 HydrophobicContact CG-CD1 4.48Å
542D80.8Confident85.3Confident57 Ų5748.7 Ų48.731%0.30530%0.298SS..THydrogen-bonded Turntrans62.80.6176.6-44.9-53.2000115.8A525 Q545 S548A525-D542 PolarHBondContact O-N 3.15Å; D542-Q545 HydrophobicContact CB-CB 4.46Å; D542-Q545 WeakPolarHBondContact O-CA 3.32Å; D542-Q545 WeakPolarHBondContact O-CB 3.48Å; D542-Q545 WeakPolarHBondContact O-CG 3.41Å; D542-Q545 PolarHBondContact O-N 3.19Å; D542-S548 PolarHBondContact OD2-N 3.01Å
543W83.1Confident85.3Confident44 Ų4444.5 Ų44.517%0.16727%0.268CS..THydrogen-bonded Turntrans-52.5135.8178.7178.9-79.7000111.4Y495 A525 L539 S540 P541 I571 Q629 V632Y495-W543 VanDerWaalsContact CE1-O 3.32Å; Y495-W543 WeakPolarHBondContact CE1-O 3.49Å; A525-W543 HydrophobicContact CB-CB 4.12Å; L539-W543 HydrophobicContact CB-CB 4.08Å; L539-W543 HydrophobicContact CB-CG 4.31Å; L539-W543 HydrophobicContact CD2-CG 4.29Å; S540-W543 VanDerWaalsContact O-CB 3.23Å; S540-W543 WeakPolarHBondContact O-CB 3.45Å; S540-W543 PolarHBondContact O-N 2.72Å; P541-W543 PolarHBondContact O-N 3.14Å; W543-I571 HydrophobicContact CH2-CB 4.47Å; W543-I571 HydrophobicContact CH2-CD1 3.75Å; W543-I571 HydrophobicContact CH2-CG2 4.13Å; W543-I571 HydrophobicContact CZ2-CD1 4.07Å; W543-I571 HydrophobicContact CZ3-CG2 4.42Å; W543-Q629 VanDerWaalsContact CE3-O 3.25Å; W543-Q629 WeakPolarHBondContact CZ3-O 3.38Å; W543-V632 HydrophobicContact CD2-CG2 3.99Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CE3-CG2 4.21Å; W543-V632 HydrophobicContact CH2-CG2 3.6Å; W543-V632 HydrophobicContact CZ2-CG2 3.3Å; W543-V632 HydrophobicContact CZ3-CG2 4.02Å
544P71.2Confident85.5Confident61 Ų6141.8 Ų41.840%0.39626%0.26SS..THydrogen-bonded Turncis-85.611.81036-38.4000115.3H471H471-P544 VanDerWaalsContact NE2-CD 3.31Å; H471-P544 WeakPolarHBondContact NE2-CD 3.39Å
545Q74.2Confident85.8Confident113 Ų11339.3 Ų39.353%0.52824%0.242SC..SBendtrans-81165.3170.2-42.7-157.954.800110.4D542 Y547D542-Q545 HydrophobicContact CB-CB 4.46Å; D542-Q545 WeakPolarHBondContact O-CA 3.32Å; D542-Q545 WeakPolarHBondContact O-CB 3.48Å; D542-Q545 WeakPolarHBondContact O-CG 3.41Å; D542-Q545 PolarHBondContact O-N 3.19Å; Q545-Y547 PolarHBondContact O-N 3.14Å
546S72.6Confident85.8Confident72 Ų7237.7 Ų37.750%0.50323%0.231SC..PPolyproline II helixtrans-75.7123.217658.60000110.7G628S546-G628 WeakPolarHBondContact CB-O 3.38Å
547Y81.3Confident86Confident1 Ų137 Ų370%0.00422%0.223CC..PPolyproline II helixtrans-49.2142.7172.756.6-87.3000112.8P541 Q545 V574 R575 D578 F616 A618P541-Y547 WeakPolarHBondContact O-CB 3.26Å; Q545-Y547 PolarHBondContact O-N 3.14Å; Y547-V574 HydrophobicContact CE1-CG1 4.49Å; Y547-V574 VanDerWaalsContact OH-CG1 3.29Å; Y547-V574 WeakPolarHBondContact OH-CG1 3.46Å; Y547-R575 WeakPolarHBondContact OH-CG 3.27Å; Y547-R575 PolarHBondContact OH-N 2.74Å; Y547-R575 VanDerWaalsContact OH-N 3.13Å; Y547-D578 VanDerWaalsContact CE2-OD2 3.23Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.39Å; Y547-D578 VanDerWaalsContact CZ-OD2 3.29Å; Y547-D578 PolarHBondContact OH-OD2 3.43Å; Y547-F616 HydrophobicContact CD1-CZ 4.47Å; Y547-F616 AromaticContact CD2-CE1 3.83Å; Y547-F616 HydrophobicContact CD2-CE1 3.83Å; Y547-F616 AromaticContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CE1-CZ 4.36Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CG-CE1 4.06Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.93Å; Y547-A618 HydrophobicContact CD2-CB 4.29Å; Y547-A618 HydrophobicContact CE2-CB 4.11Å
548S77.4Confident86Confident60 Ų6039.7 Ų39.742%0.4223%0.234SC..PPolyproline II helixtrans-64.6151.9174.7-660000112.9D542 Q551D542-S548 PolarHBondContact OD2-N 3.01Å; S548-Q551 WeakPolarHBondContact O-CG 3.3Å
549P77.4Confident86Confident48 Ų4839.8 Ų39.831%0.31224%0.235SC..THydrogen-bonded Turntrans-71.7152171.831.3-34.5000111.6G621P549-G621 WeakPolarHBondContact CB-O 3.49Å; P549-G621 WeakPolarHBondContact CG-O 3.47Å
550G82Confident85.9Confident43 Ų4344.2 Ų44.244%0.44326%0.256SS..THydrogen-bonded Turntrans86.310.9178.800000115.8A618 P619G550-A618 CarbonylContact C-O 3.57Å; G550-A618 WeakPolarHBondContact CA-O 3.41Å; G550-A618 PolarHBondContact N-O 2.9Å; G550-P619 PolarHBondContact N-O 3.43Å
551Q85.8Confident85.6Confident48 Ų4849.8 Ų49.822%0.22428%0.282CS..  trans-75.7137.9178.9-65.1-75.517.100112.2S548 F616 Q617 A618S548-Q551 WeakPolarHBondContact O-CG 3.3Å; Q551-F616 HydrophobicContact CB-CE1 4.47Å; Q551-Q617 WeakPolarHBondContact O-CA 3.48Å; Q551-A618 HydrophobicContact CB-CB 4.45Å; Q551-A618 PolarHBondContact N-O 2.98Å; Q551-A618 PolarHBondContact O-N 3.29Å
552D90.8Very high85Confident94 Ų9455.7 Ų55.750%0.50331%0.309SS..EExtended strand (participates in β ladder)trans-13395166.1-171.28.7000108.7Q615 F616 Q617D552-Q615 PolarHBondContact OD1-NE2 3Å; D552-Q615 PolarHBondContact OD2-NE2 2.84Å; D552-F616 CarbonylContact C-O 3.54Å; D552-F616 WeakPolarHBondContact CA-O 3.48Å; D552-Q617 HydrophobicContact CB-CG 4.46Å; D552-Q617 VanDerWaalsContact OD1-CG 3.24Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.46Å
553C92.5Very high85.2Confident1 Ų155.7 Ų55.71%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-111.2131.3-169.9-52.80000110.7C527 P541 W555 Q615 F616C527-C553 VanDerWaalsContact CA-SG 3.55Å; C527-C553 HydrophobicContact CB-CB 4.05Å; C527-C553 WeakPolarHBondContact CB-SG 3.27Å; C527-C553 WeakPolarHBondContact SG-CA 3.5Å; C527-C553 WeakPolarHBondContact SG-CB 3.48Å; C527-C553 CovalentContact SG-SG 2.03Å; C527-C553 PolarHBondContact SG-SG 2.92Å; P541-C553 WeakPolarHBondContact CG-SG 3.3Å; C553-W555 HydrophobicContact CB-CE3 4.35Å; C553-W555 HydrophobicContact CB-CH2 3.35Å; C553-W555 HydrophobicContact CB-CZ2 3.91Å; C553-W555 HydrophobicContact CB-CZ3 3.6Å; C553-Q615 CarbonylContact O-C 3.57Å; C553-Q615 VanDerWaalsContact O-CA 3.32Å; C553-Q615 WeakPolarHBondContact O-CA 3.42Å; C553-F616 HydrophobicContact CB-CB 4.47Å; C553-F616 PolarHBondContact N-O 2.98Å; C553-F616 PolarHBondContact O-N 3.34Å
554V94.6Very high85.4Confident60 Ų6054.4 Ų54.436%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-121.4122.8179.6-177.20000110.3G528 G529 T613 L614 Q615G528-V554 CarbonylContact C-O 3.55Å; G528-V554 WeakPolarHBondContact CA-O 3.34Å; G529-V554 PolarHBondContact N-O 2.84Å; V554-T613 HydrophobicContact CG1-CG2 3.75Å; V554-L614 CarbonylContact C-O 3.47Å; V554-L614 WeakPolarHBondContact CA-O 3.42Å; V554-Q615 HydrophobicContact CG2-CB 4.31Å; V554-Q615 HydrophobicContact CG2-CG 3.92Å
555W94.9Very high86.5Confident13 Ų1351.5 Ų51.55%0.04928%0.282CS..EExtended strand (participates in β ladder)trans-111.6125.8172-57.7-96.9000110.4M526 G528 G529 V538 L539 C553 T613 L614 F616 F631M526-W555 WeakPolarHBondContact O-CZ2 3.45Å; M526-W555 PolarHBondContact O-NE1 3.4Å; G528-W555 VanDerWaalsContact C-CD1 3.42Å; G528-W555 VanDerWaalsContact N-CE2 3.3Å; G529-W555 CarbonylContact O-C 3.49Å; G529-W555 VanDerWaalsContact O-CA 3.23Å; G529-W555 WeakPolarHBondContact O-CA 3.29Å; V538-W555 HydrophobicContact CG1-CB 4.43Å; V538-W555 HydrophobicContact CG1-CD2 3.67Å; V538-W555 HydrophobicContact CG1-CE3 4.21Å; V538-W555 HydrophobicContact CG1-CG 3.78Å; V538-W555 HydrophobicContact CG1-CZ2 4.36Å; L539-W555 WeakPolarHBondContact O-CZ2 3.44Å; C553-W555 HydrophobicContact CB-CE3 4.35Å; C553-W555 HydrophobicContact CB-CH2 3.35Å; C553-W555 HydrophobicContact CB-CZ2 3.91Å; C553-W555 HydrophobicContact CB-CZ3 3.6Å; W555-T613 WeakPolarHBondContact O-CA 3.24Å; W555-L614 HydrophobicContact CB-CB 4.41Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 3.44Å; W555-L614 PolarHBondContact O-N 2.83Å; W555-F616 HydrophobicContact CH2-CB 4.05Å; W555-F616 HydrophobicContact CZ3-CB 3.67Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CZ3-CZ 4.01Å
556G94.5Very high87.3Confident24 Ų2448 Ų4825%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-93.7120.2168.700000110.3G529 E530 L531G529-G556 PolarHBondContact O-N 2.83Å; E530-G556 WeakPolarHBondContact CA-O 3.44Å; L531-G556 PolarHBondContact N-O 2.85Å
557L94.7Very high88.3Confident2 Ų244.6 Ų44.61%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-103.3129.7172.4-57.7159.4000108.9L531 V538 I565 D611 L612 L614 F635L531-L557 HydrophobicContact CB-CD2 3.91Å; L531-L557 HydrophobicContact CD1-CD2 3.83Å; L531-L557 WeakPolarHBondContact O-CA 3.23Å; V538-L557 HydrophobicContact CG2-CD2 3.92Å; L557-I565 HydrophobicContact CB-CD1 3.64Å; L557-D611 CarbonylContact O-C 3.57Å; L557-D611 WeakPolarHBondContact O-CA 3.44Å; L557-L612 HydrophobicContact CB-CB 4.28Å; L557-L612 VanDerWaalsContact CB-O 3.24Å; L557-L612 WeakPolarHBondContact CB-O 3.37Å; L557-L612 HydrophobicContact CD1-CB 4.26Å; L557-L612 HydrophobicContact CD1-CD2 3.88Å; L557-L612 HydrophobicContact CD1-CG 4.19Å; L557-L612 PolarHBondContact N-O 3.24Å; L557-L612 PolarHBondContact O-N 2.81Å; L557-L614 HydrophobicContact CD1-CD1 3.82Å; L557-L614 HydrophobicContact CD1-CD2 4.46Å; L557-L614 HydrophobicContact CD1-CG 3.96Å; L557-F635 HydrophobicContact CD1-CG 4.48Å; L557-F635 HydrophobicContact CD2-CD1 3.57Å; L557-F635 HydrophobicContact CD2-CD2 3.96Å; L557-F635 HydrophobicContact CD2-CE1 3.44Å; L557-F635 VanDerWaalsContact CD2-CE1 3.44Å; L557-F635 HydrophobicContact CD2-CE2 3.84Å; L557-F635 HydrophobicContact CD2-CG 3.83Å; L557-F635 HydrophobicContact CD2-CZ 3.59Å
558H94.5Very high88.8Confident78 Ų7847.8 Ų47.836%0.36126%0.258SS..EExtended strand (participates in β ladder)trans-132133.8177.5177.578.6000109.6L531 S532 D611L531-H558 PolarHBondContact O-N 3.34Å; S532-H558 CarbonylContact C-O 3.57Å; S532-H558 WeakPolarHBondContact CA-O 3.32Å; H558-D611 IonicContact CE1-OD1 3.47Å; H558-D611 IonicContact CG-OD1 3.19Å; H558-D611 IonicContact ND1-OD1 2.77Å; H558-D611 PolarHBondContact ND1-OD1 3.01Å
559V93.1Very high89.4Confident4 Ų445.1 Ų45.12%0.02424%0.239CC..  trans-126.2179.7170.8-610000110.2E561 K563 I565 P610 E637V559-E561 PolarHBondContact O-N 3.06Å; V559-K563 HydrophobicContact CG2-CB 3.92Å; V559-I565 HydrophobicContact CB-CG1 4.4Å; V559-I565 HydrophobicContact CG1-CD1 4.21Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.35Å; V559-I565 HydrophobicContact CG2-CG1 3.67Å; V559-P610 HydrophobicContact CG2-CB 4.28Å; V559-P610 WeakPolarHBondContact CG2-O 3.44Å; V559-P610 PolarHBondContact N-O 3.48Å; V559-P610 VanDerWaalsContact N-O 3.08Å; V559-P610 WeakPolarHBondContact O-CB 3.48Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.34Å
560Q89.1Confident89.7Confident104 Ų10445.7 Ų45.749%0.48624%0.238SC..  trans-52.9136.6178.1-62.5166.828.300111.9E562 K563 E637Q560-E562 PolarHBondContact O-N 3.1Å; Q560-K563 HydrophobicContact CB-CG 3.79Å; Q560-K563 VanDerWaalsContact O-CB 3.31Å; Q560-K563 WeakPolarHBondContact O-CB 3.1Å; Q560-K563 PolarHBondContact O-N 2.99Å; Q560-E637 PolarHBondContact NE2-OE2 2.97Å
561E84.1Confident89.7Confident117 Ų11746.5 Ų46.555%0.54723%0.231SC..THydrogen-bonded Turntrans-45.9-41.7-174-68.3-76.3-179.500114.4V559 K563 R640V559-E561 PolarHBondContact O-N 3.06Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.32Å; E561-R640 PolarHBondContact O-NH2 2.98Å
562E77.1Confident89.6Confident125 Ų12544.5 Ų44.558%0.58422%0.222SC*.THydrogen-bonded Turntrans-77-6.1-177.6-6175.3-16300113.9Q560 R640Q560-E562 PolarHBondContact O-N 3.1Å; E562-R640 WeakPolarHBondContact O-CD 3.16Å; E562-R640 WeakPolarHBondContact O-CG 3.24Å; E562-R640 PolarHBondContact O-NE 3.26Å
563K84Confident89.1Confident57 Ų5741 Ų4125%0.24820%0.204CC..EExtended strand (participates in β ladder)trans-98.4-175.9-175.9-50.4-61.4-175.2-163.70112.4V559 Q560 E561 E637 V638 R640V559-K563 HydrophobicContact CG2-CB 3.92Å; Q560-K563 HydrophobicContact CB-CG 3.79Å; Q560-K563 VanDerWaalsContact O-CB 3.31Å; Q560-K563 WeakPolarHBondContact O-CB 3.1Å; Q560-K563 PolarHBondContact O-N 2.99Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.32Å; K563-E637 HydrophobicContact CB-CB 4.2Å; K563-E637 HydrophobicContact CG-CB 4.26Å; K563-V638 WeakPolarHBondContact CA-O 3.38Å; K563-V638 WeakPolarHBondContact CB-O 3.33Å; K563-R640 PolarHBondContact O-NE 3.06Å
564R88.4Confident88.4Confident18 Ų1841.2 Ų41.27%0.06820%0.204CC..EExtended strand (participates in β ladder)trans-133.5159165.3-82.7170.3-179.4162.94.8109.5L606 S607 S608 E637 V638 R640 D642R564-L606 HydrophobicContact CB-CD1 4.03Å; R564-S607 WeakPolarHBondContact CD-O 3.49Å; R564-S607 WeakPolarHBondContact CG-O 3.38Å; R564-S608 VanDerWaalsContact NE-C 3.34Å; R564-S608 PolarHBondContact NE-O 2.83Å; R564-S608 PolarHBondContact NH2-O 3.4Å; R564-E637 CarbonylContact O-C 3.59Å; R564-E637 WeakPolarHBondContact O-CA 3.05Å; R564-V638 HydrophobicContact CB-CG2 4.06Å; R564-V638 PolarHBondContact N-O 3.41Å; R564-V638 WeakPolarHBondContact O-CG2 3.37Å; R564-V638 PolarHBondContact O-N 2.96Å; R564-R640 HydrophobicContact CG-CG 3.94Å; R564-D642 IonicContact CZ-OD1 3.7Å; R564-D642 IonicContact CZ-OD2 2.6Å; R564-D642 IonicContact NH1-OD1 3.51Å; R564-D642 PolarHBondContact NH1-OD1 3Å; R564-D642 IonicContact NH1-OD2 3.9Å; R564-D642 PolarHBondContact NH1-OD2 3.03Å; R564-D642 IonicContact NH2-OD1 3.23Å; R564-D642 PolarHBondContact NH2-OD1 3.48Å; R564-D642 IonicContact NH2-OD2 2.76Å; R564-D642 PolarHBondContact NH2-OD2 2.9Å
565I92.5Very high87.5Confident0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-94.6119.1173.6-61.7174.6000108.9L557 V559 L606 S607 P610 L612 F635L557-I565 HydrophobicContact CB-CD1 3.64Å; V559-I565 HydrophobicContact CB-CG1 4.4Å; V559-I565 HydrophobicContact CG1-CD1 4.21Å; V559-I565 HydrophobicContact CG1-CG1 3.85Å; V559-I565 HydrophobicContact CG2-CD1 4.35Å; V559-I565 HydrophobicContact CG2-CG1 3.67Å; I565-L606 WeakPolarHBondContact O-CA 3.22Å; I565-S607 PolarHBondContact N-OG 3.46Å; I565-S607 PolarHBondContact O-N 3.32Å; I565-P610 WeakPolarHBondContact CD1-O 3.38Å; I565-L612 HydrophobicContact CB-CB 4.33Å; I565-L612 HydrophobicContact CB-CD2 4.27Å; I565-L612 HydrophobicContact CD1-CB 3.65Å; I565-L612 HydrophobicContact CG2-CB 4.49Å; I565-L612 HydrophobicContact CG2-CD2 3.76Å; I565-F635 HydrophobicContact CG2-CB 3.95Å; I565-F635 HydrophobicContact CG2-CD2 4.48Å
566L92.2Very high86.2Confident38 Ų3849.2 Ų49.220%0.19924%0.236CC..EExtended strand (participates in β ladder)trans-90.7110.9163.4-177.676.4000108.5R604 L606 F635 K636 V638L566-R604 HydrophobicContact CD1-CB 4.32Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.2Å; L566-F635 WeakPolarHBondContact O-CA 3.02Å; L566-K636 HydrophobicContact CB-CG 4.39Å; L566-K636 PolarHBondContact N-O 2.99Å; L566-K636 PolarHBondContact O-N 2.93Å; L566-V638 HydrophobicContact CB-CG1 3.73Å; L566-V638 HydrophobicContact CB-CG2 3.92Å; L566-V638 HydrophobicContact CD2-CG1 4.2Å
567L93.3Very high85.2Confident1 Ų150.6 Ų50.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-95.9134172.7-167.475.7000110.2L582 R604 L605 L612 L614 L633 H634 F635L567-L582 HydrophobicContact CD2-CD2 3.25Å; L567-R604 CarbonylContact O-C 3.57Å; L567-R604 WeakPolarHBondContact O-CA 3.45Å; L567-L605 PolarHBondContact N-O 2.9Å; L567-L605 PolarHBondContact O-N 2.67Å; L567-L612 HydrophobicContact CB-CD2 4.12Å; L567-L612 HydrophobicContact CD2-CD2 4.31Å; L567-L614 HydrophobicContact CD2-CD2 4.04Å; L567-L633 HydrophobicContact CD1-CB 4.03Å; L567-H634 CarbonylContact C-O 3.58Å; L567-F635 HydrophobicContact CD1-CB 3.67Å
568Q91.3Very high84.8Confident69 Ų6950.9 Ų50.932%0.32225%0.252SS..EExtended strand (participates in β ladder)trans-120.4116175.2-178.4170.1-67.800109.9E570 R604 H634Q568-E570 PolarHBondContact O-N 3.04Å; Q568-R604 HydrophobicContact CB-CG 4.2Å; Q568-R604 HydrophobicContact CG-CG 4.06Å; Q568-H634 PolarHBondContact N-O 3.24Å; Q568-H634 PolarHBondContact O-N 3.04Å
569V89.7Confident84.5Confident3 Ų348.8 Ų48.82%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-75.2111.4170.1-173.70000107.9L572 L596 R602 R603 L633V569-L572 HydrophobicContact CG1-CB 3.73Å; V569-L596 HydrophobicContact CG2-CD1 3.92Å; V569-R602 WeakPolarHBondContact O-CA 3.35Å; V569-R603 PolarHBondContact N-O 3.05Å; V569-R603 PolarHBondContact O-N 2.96Å; V569-L633 HydrophobicContact CB-CD2 4.27Å; V569-L633 HydrophobicContact CG1-CD2 4.1Å; V569-L633 HydrophobicContact CG2-CD2 3.97Å
570E85.3Confident84.5Confident61 Ų6148.6 Ų48.629%0.28524%0.242SC..EExtended strand (participates in β ladder)trans-93.3-46.9175.4171.3127.6-156.200110.9Q568 R602 V632 H634Q568-E570 PolarHBondContact O-N 3.04Å; E570-R602 WeakPolarHBondContact O-CG 3.37Å; E570-R602 PolarHBondContact O-NE 3.37Å; E570-R602 IonicContact OE1-CZ 3.45Å; E570-R602 IonicContact OE1-NH1 3.95Å; E570-R602 PolarHBondContact OE1-NH1 3.46Å; E570-R602 IonicContact OE1-NH2 3.56Å; E570-R602 PolarHBondContact OE1-NH2 2.82Å; E570-R602 IonicContact OE2-NH1 2.73Å; E570-V632 PolarHBondContact N-O 2.8Å; E570-H634 IonicContact OE2-CD2 3.85Å; E570-H634 IonicContact OE2-NE2 2.74Å
571I82.1Confident84.6Confident59 Ų5943.8 Ų43.830%0.30322%0.22SC..EExtended strand (participates in β ladder)trans-130133.1173.6-56.2177.8000108.1W543 N573 F631 V632W543-I571 HydrophobicContact CH2-CB 4.47Å; W543-I571 HydrophobicContact CH2-CD1 3.75Å; W543-I571 HydrophobicContact CH2-CG2 4.13Å; W543-I571 HydrophobicContact CZ2-CD1 4.07Å; W543-I571 HydrophobicContact CZ3-CG2 4.42Å; I571-N573 HydrophobicContact CG2-CB 4.49Å; I571-F631 CarbonylContact O-C 3.56Å; I571-F631 VanDerWaalsContact O-CA 3.28Å; I571-F631 WeakPolarHBondContact O-CA 3.39Å; I571-F631 WeakPolarHBondContact O-CB 3.34Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.18Å; I571-V632 HydrophobicContact CD1-CG2 4.15Å; I571-V632 HydrophobicContact CG1-CB 4.41Å; I571-V632 HydrophobicContact CG1-CG2 4.42Å; I571-V632 PolarHBondContact N-O 2.87Å; I571-V632 PolarHBondContact O-N 2.82Å
572L83.9Confident85.1Confident6 Ų638.3 Ų38.33%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-140.9106.4165.4-17691.6000106.4V569 V574 L580 L596 G598 P599 Q600 F631V569-L572 HydrophobicContact CG1-CB 3.73Å; L572-V574 HydrophobicContact CD1-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 3.94Å; L572-L580 HydrophobicContact CD1-CD2 3.82Å; L572-L596 HydrophobicContact CD1-CB 4.2Å; L572-L596 HydrophobicContact CD1-CD1 4.4Å; L572-L596 HydrophobicContact CD2-CB 3.78Å; L572-L596 HydrophobicContact CD2-CD1 4.5Å; L572-G598 VanDerWaalsContact CD2-O 3.3Å; L572-G598 WeakPolarHBondContact CD2-O 3.33Å; L572-P599 WeakPolarHBondContact O-CA 3.42Å; L572-Q600 HydrophobicContact CD2-CB 3.64Å; L572-Q600 HydrophobicContact CD2-CG 3.45Å; L572-Q600 VanDerWaalsContact CD2-CG 3.45Å; L572-Q600 PolarHBondContact O-N 3.11Å; L572-F631 HydrophobicContact CD1-CB 4.02Å
573N78.8Confident85.9Confident22 Ų2233.2 Ų33.212%0.11817%0.17CC..EExtended strand (participates in β ladder)trans-137.479.3178.8-173.78.8000108.5I571 G628 Q629 G630I571-N573 HydrophobicContact CG2-CB 4.49Å; N573-G628 CarbonylContact O-C 3.57Å; N573-G628 WeakPolarHBondContact O-CA 3.34Å; N573-Q629 HydrophobicContact CB-CB 4.15Å; N573-Q629 PolarHBondContact ND2-OE1 2.8Å; N573-Q629 PolarHBondContact O-N 2.89Å; N573-G630 CarbonylContact C-O 3.42Å; N573-G630 PolarHBondContact N-O 2.79Å; N573-G630 PolarHBondContact O-N 2.85Å
574V79.1Confident86.3Confident4 Ų431.5 Ų31.52%0.02416%0.164CC..  trans-121.4142.9-167.9-164.20000108.4Y547 L572 D578 G598 F616 F631Y547-V574 HydrophobicContact CE1-CG1 4.49Å; Y547-V574 VanDerWaalsContact OH-CG1 3.29Å; Y547-V574 WeakPolarHBondContact OH-CG1 3.46Å; L572-V574 HydrophobicContact CD1-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 3.94Å; V574-D578 HydrophobicContact CG1-CB 3.48Å; V574-D578 VanDerWaalsContact CG1-CB 3.48Å; V574-G598 VanDerWaalsContact O-CA 3.31Å; V574-G598 WeakPolarHBondContact O-CA 3.24Å; V574-F616 HydrophobicContact CG1-CE2 3.55Å; V574-F616 HydrophobicContact CG1-CZ 4.04Å; V574-F631 HydrophobicContact CG2-CB 4.46Å; V574-F631 HydrophobicContact CG2-CD1 4.09Å
575R74.6Confident86.4Confident48 Ų4831.1 Ų31.118%0.18117%0.165CC..  trans-63.1158-167.9-57.5163.2-173.3-166.83.4113Y547 G577 D578Y547-R575 WeakPolarHBondContact OH-CG 3.27Å; Y547-R575 PolarHBondContact OH-N 2.74Å; Y547-R575 VanDerWaalsContact OH-N 3.13Å; R575-G577 VanDerWaalsContact C-N 3.33Å; R575-G577 PolarHBondContact O-N 2.94Å; R575-D578 WeakPolarHBondContact CB-OD2 3.47Å; R575-D578 PolarHBondContact N-OD2 2.88Å; R575-D578 PolarHBondContact O-N 2.99Å
576E69.2Low86.1Confident193 Ų19337.7 Ų37.790%0.90220%0.201SC*.THydrogen-bonded Turntrans-71.283.2174.9-64.4-166.9153.700111.9
577G73.6Confident86Confident53 Ų5336.3 Ų36.355%0.54620%0.196SC..THydrogen-bonded Turntrans154.9-29.1-179.200000112.2R575R575-G577 VanDerWaalsContact C-N 3.33Å; R575-G577 PolarHBondContact O-N 2.94Å
578D85.5Confident85.5Confident9 Ų939.4 Ų39.45%0.04822%0.216CC..  trans-74.8160.5175.4-55-13.9000111.2Y547 V574 R575 F616 Q617 P619Y547-D578 VanDerWaalsContact CE2-OD2 3.23Å; Y547-D578 WeakPolarHBondContact CE2-OD2 3.39Å; Y547-D578 VanDerWaalsContact CZ-OD2 3.29Å; Y547-D578 PolarHBondContact OH-OD2 3.43Å; V574-D578 HydrophobicContact CG1-CB 3.48Å; V574-D578 VanDerWaalsContact CG1-CB 3.48Å; R575-D578 WeakPolarHBondContact CB-OD2 3.47Å; R575-D578 PolarHBondContact N-OD2 2.88Å; R575-D578 PolarHBondContact O-N 2.99Å; D578-F616 HydrophobicContact CB-CE2 4.09Å; D578-Q617 CarbonylContact C-O 3.59Å; D578-Q617 WeakPolarHBondContact CA-O 3.42Å; D578-P619 WeakPolarHBondContact OD1-CD 3.31Å
579M88.5Confident85.2Confident33 Ų3341.6 Ų41.616%0.16324%0.238CC..EExtended strand (participates in β ladder)trans-146.7126.5-177-178.1175.762.500112.5Q595 R597 Q617M579-Q595 HydrophobicContact SD-CG 4.12Å; M579-R597 HydrophobicContact CB-CG 4.45Å; M579-R597 HydrophobicContact CG-CG 4.41Å; M579-R597 PolarHBondContact SD-NH2 2.82Å; M579-Q617 VanDerWaalsContact CE-OE1 3.29Å; M579-Q617 PolarHBondContact N-O 2.96Å; M579-Q617 PolarHBondContact O-N 3.28Å
580L91.5Very high85.2Confident0 Ų042.7 Ų42.70%025%0.248CC..EExtended strand (participates in β ladder)trans-101.6112.3165.1174.266.9000108.7L572 L582 L596 Q615 F616 F631 L633L572-L580 HydrophobicContact CD1-CD2 3.82Å; L580-L582 HydrophobicContact CG-CD1 4.18Å; L580-L596 HydrophobicContact CB-CB 4.32Å; L580-L596 HydrophobicContact CD2-CD1 4.14Å; L580-L596 PolarHBondContact N-O 2.79Å; L580-L596 PolarHBondContact O-N 2.93Å; L580-Q615 CarbonylContact C-O 3.52Å; L580-Q615 WeakPolarHBondContact CA-O 3.37Å; L580-F616 HydrophobicContact CB-CD2 4.45Å; L580-F616 HydrophobicContact CD1-CB 4.2Å; L580-F631 HydrophobicContact CD1-CE1 4.45Å; L580-F631 HydrophobicContact CD1-CZ 4.24Å; L580-F631 HydrophobicContact CD2-CD1 4.46Å; L580-F631 HydrophobicContact CD2-CG 4.45Å; L580-L633 HydrophobicContact CD2-CD1 3.79Å; L580-L633 HydrophobicContact CD2-CD2 4.17Å
581T92.3Very high85.4Confident4 Ų448.8 Ų48.83%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-103.3141177.4-53.60000110.4F583 V592 Q595 Q615T581-F583 HydrophobicContact CG2-CD1 4.31Å; T581-F583 HydrophobicContact CG2-CD2 4.16Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.62Å; T581-F583 HydrophobicContact CG2-CG 4.49Å; T581-F583 HydrophobicContact CG2-CZ 3.41Å; T581-F583 VanDerWaalsContact CG2-CZ 3.41Å; T581-V592 HydrophobicContact CG2-CG1 4.08Å; T581-V592 HydrophobicContact CG2-CG2 4.05Å; T581-Q595 HydrophobicContact CG2-CG 3.96Å; T581-Q615 PolarHBondContact N-O 3.48Å; T581-Q615 PolarHBondContact O-N 3.41Å
582L94.1Very high85.8Confident1 Ų149 Ų491%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-122.2125.2-178.8-61.291.4000109.4L567 L580 V592 L593 A594 L596 L605 L614L567-L582 HydrophobicContact CD2-CD2 3.25Å; L580-L582 HydrophobicContact CG-CD1 4.18Å; L582-V592 CarbonylContact O-C 3.46Å; L582-V592 WeakPolarHBondContact O-CA 3.49Å; L582-L593 HydrophobicContact CB-CB 4.45Å; L582-L593 PolarHBondContact O-N 2.74Å; L582-A594 HydrophobicContact CD1-CB 4.12Å; L582-A594 PolarHBondContact N-O 3.46Å; L582-L596 HydrophobicContact CD1-CD1 3.77Å; L582-L596 HydrophobicContact CD1-CG 3.83Å; L582-L605 HydrophobicContact CD2-CD1 3.82Å; L582-L614 HydrophobicContact CB-CD2 4.2Å; L582-L614 HydrophobicContact CD2-CD2 3.56Å; L582-L614 HydrophobicContact CG-CD2 3.64Å
583F94.4Very high86Confident18 Ų1851.4 Ų51.48%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-119.1130.5-174.4-54.1-92.1000111.4T581 G585 P588 A590 R591 V592 L612 T613 Q615T581-F583 HydrophobicContact CG2-CD1 4.31Å; T581-F583 HydrophobicContact CG2-CD2 4.16Å; T581-F583 HydrophobicContact CG2-CE1 3.78Å; T581-F583 HydrophobicContact CG2-CE2 3.62Å; T581-F583 HydrophobicContact CG2-CG 4.49Å; T581-F583 HydrophobicContact CG2-CZ 3.41Å; T581-F583 VanDerWaalsContact CG2-CZ 3.41Å; F583-G585 VanDerWaalsContact C-N 3.31Å; F583-G585 PolarHBondContact O-N 2.76Å; F583-P588 HydrophobicContact CD2-CB 4.18Å; F583-P588 HydrophobicContact CE1-CB 4.42Å; F583-P588 WeakPolarHBondContact CE1-O 3.38Å; F583-P588 HydrophobicContact CE2-CB 3.73Å; F583-P588 HydrophobicContact CZ-CB 3.86Å; F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.06Å; F583-R591 CarbonylContact C-O 3.51Å; F583-R591 WeakPolarHBondContact CA-O 3.5Å; F583-V592 HydrophobicContact CD1-CG2 3.74Å; F583-V592 HydrophobicContact CE1-CG2 3.66Å; F583-L612 WeakPolarHBondContact O-CD1 3.04Å; F583-T613 HydrophobicContact CD2-CG2 4.35Å; F583-T613 PolarHBondContact N-O 2.96Å; F583-T613 PolarHBondContact O-N 3.15Å; F583-Q615 HydrophobicContact CE2-CB 3.82Å
584D91.9Very high86.4Confident22 Ų2251 Ų5112%0.11828%0.284CS..EExtended strand (participates in β ladder)trans-78.570.7-177.2-156.424.3000111.3R591 L593 S607 S608D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.31Å; D584-R591 WeakPolarHBondContact CB-O 3.45Å; D584-R591 PolarHBondContact N-O 3.47Å; D584-L593 HydrophobicContact CB-CD1 4.23Å; D584-L593 HydrophobicContact CB-CD2 3.67Å; D584-L593 HydrophobicContact CB-CG 3.73Å; D584-S607 VanDerWaalsContact OD1-CA 3.22Å; D584-S607 WeakPolarHBondContact OD1-CA 3.23Å; D584-S607 WeakPolarHBondContact OD1-CB 3.4Å; D584-S608 VanDerWaalsContact CG-OG 3.26Å; D584-S608 PolarHBondContact OD1-N 2.04Å; D584-S608 PolarHBondContact OD1-OG 3.17Å; D584-S608 WeakPolarHBondContact OD2-CB 3.44Å; D584-S608 PolarHBondContact OD2-OG 2.97Å
585G90.2Very high87Confident10 Ų1055.4 Ų55.410%0.10331%0.305CS..SBendtrans159.3-170.5-178.700000114.9F583 G587 D611 T613F583-G585 VanDerWaalsContact C-N 3.31Å; F583-G585 PolarHBondContact O-N 2.76Å; G585-G587 VanDerWaalsContact C-N 3.26Å; G585-G587 PolarHBondContact O-N 3.3Å; G585-D611 PolarHBondContact N-O 2.76Å; G585-T613 PolarHBondContact O-N 3.5Å; G585-T613 VanDerWaalsContact O-N 3.11Å; G585-T613 PolarHBondContact O-OG1 2.88Å
586D87.4Confident87.6Confident138 Ų13853.9 Ų53.974%0.73830%0.3SS*.SBendtrans-73.80.8-17465.2-37.4000115.4D611D586-D611 HydrophobicContact CB-CB 4.47Å
587G88.6Confident88.3Confident9 Ų950.4 Ų50.49%0.09328%0.279CS..SBendtrans-170.8175.4174.200000115.4G585 S589 A590 T613G585-G587 VanDerWaalsContact C-N 3.26Å; G585-G587 PolarHBondContact O-N 3.3Å; G587-S589 PolarHBondContact O-N 2.93Å; G587-A590 VanDerWaalsContact O-CB 3.27Å; G587-A590 WeakPolarHBondContact O-CB 3.11Å; G587-A590 PolarHBondContact O-N 2.86Å; G587-T613 VanDerWaalsContact CA-OG1 3.3Å; G587-T613 WeakPolarHBondContact CA-OG1 3.4Å; G587-T613 PolarHBondContact N-OG1 2.82Å; G587-T613 VanDerWaalsContact N-OG1 3.1Å
588P84.5Confident88.3Confident66 Ų6648.4 Ų48.443%0.42926%0.258SS..THydrogen-bonded Turntrans-69.9-0.1179.230.9-36.1000114F583F583-P588 HydrophobicContact CD2-CB 4.18Å; F583-P588 HydrophobicContact CE1-CB 4.42Å; F583-P588 WeakPolarHBondContact CE1-O 3.38Å; F583-P588 HydrophobicContact CE2-CB 3.73Å; F583-P588 HydrophobicContact CZ-CB 3.86Å
589S84.9Confident87.6Confident114 Ų11452.2 Ų52.280%0.79728%0.283SS*.THydrogen-bonded Turntrans-82.7-12.9167.5460000113.9G587G587-S589 PolarHBondContact O-N 2.93Å
590A88.1Confident86.6Confident27 Ų2755.4 Ų55.422%0.22330%0.298CS..SBendtrans-77.5-179.5-176.800000112.7F583 G587 V592F583-A590 HydrophobicContact CB-CB 4.21Å; F583-A590 WeakPolarHBondContact CD1-O 3.06Å; G587-A590 VanDerWaalsContact O-CB 3.27Å; G587-A590 WeakPolarHBondContact O-CB 3.11Å; G587-A590 PolarHBondContact O-N 2.86Å; A590-V592 PolarHBondContact O-N 2.75Å
591R89.6Confident85.4Confident189 Ų18960.2 Ų60.271%0.71333%0.329SS*.EExtended strand (participates in β ladder)trans-72124.4-175.6176.1-172.5174.5-173.2-0.2111.1F583 D584 L593F583-R591 CarbonylContact C-O 3.51Å; F583-R591 WeakPolarHBondContact CA-O 3.5Å; D584-R591 HydrophobicContact CB-CB 4.22Å; D584-R591 VanDerWaalsContact CB-O 3.31Å; D584-R591 WeakPolarHBondContact CB-O 3.45Å; D584-R591 PolarHBondContact N-O 3.47Å; R591-L593 PolarHBondContact O-N 3.46Å
592V91.1Very high84.8Confident63 Ų6367.7 Ų67.738%0.38236%0.357SS..EExtended strand (participates in β ladder)trans-60.8120.4171.8179.30000111.1T581 L582 F583 A590 Q595T581-V592 HydrophobicContact CG2-CG1 4.08Å; T581-V592 HydrophobicContact CG2-CG2 4.05Å; L582-V592 CarbonylContact O-C 3.46Å; L582-V592 WeakPolarHBondContact O-CA 3.49Å; F583-V592 HydrophobicContact CD1-CG2 3.74Å; F583-V592 HydrophobicContact CE1-CG2 3.66Å; A590-V592 PolarHBondContact O-N 2.75Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å
593L89.1Confident84.3Confident57 Ų5774.8 Ų74.830%0.29838%0.384SS..EExtended strand (participates in β ladder)trans-80.8-43.4168.7-68-178.5000111.5L582 D584 R591 L612L582-L593 HydrophobicContact CB-CB 4.45Å; L582-L593 PolarHBondContact O-N 2.74Å; D584-L593 HydrophobicContact CB-CD1 4.23Å; D584-L593 HydrophobicContact CB-CD2 3.67Å; D584-L593 HydrophobicContact CB-CG 3.73Å; R591-L593 PolarHBondContact O-N 3.46Å; L593-L612 HydrophobicContact CD1-CD1 3.53Å
594A86.9Confident83.9Confident13 Ų1382.2 Ų82.211%0.10741%0.411CS..EExtended strand (participates in β ladder)trans-157.9151.7-177.100000111.4L582 L596 L605L582-A594 HydrophobicContact CD1-CB 4.12Å; L582-A594 PolarHBondContact N-O 3.46Å; A594-L596 HydrophobicContact CB-CD2 4.38Å; A594-L605 HydrophobicContact CB-CD1 4.02Å
595Q90.6Very high83.7Confident96 Ų9682.1 Ų82.145%0.44941%0.41SS..EExtended strand (participates in β ladder)trans-117.5126160.2-73.6177.2-5.500107.3M579 T581 V592M579-Q595 HydrophobicContact SD-CG 4.12Å; T581-Q595 HydrophobicContact CG2-CG 3.96Å; V592-Q595 HydrophobicContact CG1-CG 4.12Å
596L86.9Confident83.6Confident16 Ų1684.7 Ų84.78%0.08442%0.421CS..EExtended strand (participates in β ladder)trans-111.5129.3-178.2-57.9-179.4000108.7V569 L572 L580 L582 A594V569-L596 HydrophobicContact CG2-CD1 3.92Å; L572-L596 HydrophobicContact CD1-CB 4.2Å; L572-L596 HydrophobicContact CD1-CD1 4.4Å; L572-L596 HydrophobicContact CD2-CB 3.78Å; L572-L596 HydrophobicContact CD2-CD1 4.5Å; L580-L596 HydrophobicContact CB-CB 4.32Å; L580-L596 HydrophobicContact CD2-CD1 4.14Å; L580-L596 PolarHBondContact N-O 2.79Å; L580-L596 PolarHBondContact O-N 2.93Å; L582-L596 HydrophobicContact CD1-CD1 3.77Å; L582-L596 HydrophobicContact CD1-CG 3.83Å; A594-L596 HydrophobicContact CB-CD2 4.38Å
597R83.9Confident83.8Confident121 Ų12178.3 Ų78.346%0.45739%0.388SS..  trans-143.7147.1-179.8-58-170.5-173.288.53.1109.7M579 Q600M579-R597 HydrophobicContact CB-CG 4.45Å; M579-R597 HydrophobicContact CG-CG 4.41Å; M579-R597 PolarHBondContact SD-NH2 2.82Å; R597-Q600 PolarHBondContact O-NE2 2.87Å
598G74.1Confident83.7Confident11 Ų1180.7 Ų80.711%0.11340%0.403CS..SBendtrans64.7-174.8-178.200000113.5L572 V574 Q600L572-G598 VanDerWaalsContact CD2-O 3.3Å; L572-G598 WeakPolarHBondContact CD2-O 3.33Å; V574-G598 VanDerWaalsContact O-CA 3.31Å; V574-G598 WeakPolarHBondContact O-CA 3.24Å; G598-Q600 PolarHBondContact O-N 2.93Å
599P71.7Confident83.8Confident88 Ų8878.2 Ų78.257%0.57139%0.389SS*.SBendtrans-68.1128.4170.727.8-33.3000111.2L572L572-P599 WeakPolarHBondContact O-CA 3.42Å
600Q67.6Low84.1Confident100 Ų10073.1 Ų73.147%0.46735%0.354SS..  trans-127.7147.8179.2-64.3-68.2-30.500111.5L572 R597 G598L572-Q600 HydrophobicContact CD2-CB 3.64Å; L572-Q600 HydrophobicContact CD2-CG 3.45Å; L572-Q600 VanDerWaalsContact CD2-CG 3.45Å; L572-Q600 PolarHBondContact O-N 3.11Å; R597-Q600 PolarHBondContact O-NE2 2.87Å; G598-Q600 PolarHBondContact O-N 2.93Å
601P65.9Low84.4Confident102 Ų10274 Ų7466%0.66236%0.355SS*.  trans-67.7153.7173.930-35.4000111.5R603P601-R603 PolarHBondContact O-N 2.88Å
602R78.9Confident84.6Confident161 Ų16165.1 Ų65.161%0.60832%0.321SS*.  trans-51.3123.6178-67.8-176179.1-142.4-5.8111.2V569 E570V569-R602 WeakPolarHBondContact O-CA 3.35Å; E570-R602 WeakPolarHBondContact O-CG 3.37Å; E570-R602 PolarHBondContact O-NE 3.37Å; E570-R602 IonicContact OE1-CZ 3.45Å; E570-R602 IonicContact OE1-NH1 3.95Å; E570-R602 PolarHBondContact OE1-NH1 3.46Å; E570-R602 IonicContact OE1-NH2 3.56Å; E570-R602 PolarHBondContact OE1-NH2 2.82Å; E570-R602 IonicContact OE2-NH1 2.73Å
603R83Confident84.8Confident150 Ų15062.3 Ų62.357%0.56630%0.304SS*.EExtended strand (participates in β ladder)trans-137.8146.3-174.7-178.2171.1176.4-179.1-2.7111.1V569 P601 L605V569-R603 PolarHBondContact N-O 3.05Å; V569-R603 PolarHBondContact O-N 2.96Å; P601-R603 PolarHBondContact O-N 2.88Å; R603-L605 HydrophobicContact CG-CD2 4.4Å
604R86.7Confident85.1Confident174 Ų17459.6 Ų59.666%0.65729%0.29SS*.EExtended strand (participates in β ladder)trans-103.4142.1170.3-66.2179.3-67.1-168.51.2110.4L566 L567 Q568L566-R604 HydrophobicContact CD1-CB 4.32Å; L567-R604 CarbonylContact O-C 3.57Å; L567-R604 WeakPolarHBondContact O-CA 3.45Å; Q568-R604 HydrophobicContact CB-CG 4.2Å; Q568-R604 HydrophobicContact CG-CG 4.06Å
605L88.3Confident85.5Confident19 Ų1960.2 Ų60.210%0.09929%0.291CS..EExtended strand (participates in β ladder)trans-134.3150.9179.1-62.3173.6000108.1L567 L582 A594 R603L567-L605 PolarHBondContact N-O 2.9Å; L567-L605 PolarHBondContact O-N 2.67Å; L582-L605 HydrophobicContact CD2-CD1 3.82Å; A594-L605 HydrophobicContact CB-CD1 4.02Å; R603-L605 HydrophobicContact CG-CD2 4.4Å
606L88.7Confident85.6Confident64 Ų6455.7 Ų55.734%0.33527%0.269SS..EExtended strand (participates in β ladder)trans-134.8129.8-174.5-17570.7000108.9R564 I565 L566 V638 N641R564-L606 HydrophobicContact CB-CD1 4.03Å; I565-L606 WeakPolarHBondContact O-CA 3.22Å; L566-L606 HydrophobicContact CB-CD1 4.28Å; L566-L606 HydrophobicContact CD1-CD1 4.2Å; L606-V638 HydrophobicContact CD1-CG2 3.5Å; L606-V638 VanDerWaalsContact CD1-CG2 3.5Å; L606-N641 HydrophobicContact CD2-CB 4.02Å
607S91.4Very high85.8Confident4 Ų458 Ų583%0.02828%0.28CS..  trans-72.8165.6171.164.90000111.7R564 I565 D584 G609R564-S607 WeakPolarHBondContact CD-O 3.49Å; R564-S607 WeakPolarHBondContact CG-O 3.38Å; I565-S607 PolarHBondContact N-OG 3.46Å; I565-S607 PolarHBondContact O-N 3.32Å; D584-S607 VanDerWaalsContact OD1-CA 3.22Å; D584-S607 WeakPolarHBondContact OD1-CA 3.23Å; D584-S607 WeakPolarHBondContact OD1-CB 3.4Å; S607-G609 PolarHBondContact OG-O 3.45Å
608S85.6Confident85.9Confident59 Ų5952.4 Ų52.441%0.41326%0.26SS..SBendtrans-91.9-20.9171.1680000113.6R564 D584R564-S608 VanDerWaalsContact NE-C 3.34Å; R564-S608 PolarHBondContact NE-O 2.83Å; R564-S608 PolarHBondContact NH2-O 3.4Å; D584-S608 VanDerWaalsContact CG-OG 3.26Å; D584-S608 PolarHBondContact OD1-N 2.04Å; D584-S608 PolarHBondContact OD1-OG 3.17Å; D584-S608 WeakPolarHBondContact OD2-CB 3.44Å; D584-S608 PolarHBondContact OD2-OG 2.97Å
609G87Confident86.2Confident14 Ų1455.3 Ų55.314%0.14428%0.277CS..SBendtrans-129.9-168.1177.700000114S607 D611S607-G609 PolarHBondContact OG-O 3.45Å; G609-D611 VanDerWaalsContact C-N 3.3Å
610P90.9Very high86.4Confident8 Ų856.8 Ų56.85%0.05229%0.286CS..SBendtrans-74.5-19-179.131.7-34.1000113.2V559 I565V559-P610 HydrophobicContact CG2-CB 4.28Å; V559-P610 WeakPolarHBondContact CG2-O 3.44Å; V559-P610 PolarHBondContact N-O 3.48Å; V559-P610 VanDerWaalsContact N-O 3.08Å; V559-P610 WeakPolarHBondContact O-CB 3.48Å; I565-P610 WeakPolarHBondContact CD1-O 3.38Å
611D93.6Very high86.2Confident45 Ų4554 Ų5424%0.24128%0.284CS..EExtended strand (participates in β ladder)trans-101.5144.4-176-43.6-69.8000112.3L557 H558 G585 D586 G609L557-D611 CarbonylContact O-C 3.57Å; L557-D611 WeakPolarHBondContact O-CA 3.44Å; H558-D611 IonicContact CE1-OD1 3.47Å; H558-D611 IonicContact CG-OD1 3.19Å; H558-D611 IonicContact ND1-OD1 2.77Å; H558-D611 PolarHBondContact ND1-OD1 3.01Å; G585-D611 PolarHBondContact N-O 2.76Å; D586-D611 HydrophobicContact CB-CB 4.47Å; G609-D611 VanDerWaalsContact C-N 3.3Å
612L94.9Very high85.9Confident3 Ų353.6 Ų53.62%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-148.3115174179.971.2000109.8L557 I565 L567 F583 L593 L614L557-L612 HydrophobicContact CB-CB 4.28Å; L557-L612 VanDerWaalsContact CB-O 3.24Å; L557-L612 WeakPolarHBondContact CB-O 3.37Å; L557-L612 HydrophobicContact CD1-CB 4.26Å; L557-L612 HydrophobicContact CD1-CD2 3.88Å; L557-L612 HydrophobicContact CD1-CG 4.19Å; L557-L612 PolarHBondContact N-O 3.24Å; L557-L612 PolarHBondContact O-N 2.81Å; I565-L612 HydrophobicContact CB-CB 4.33Å; I565-L612 HydrophobicContact CB-CD2 4.27Å; I565-L612 HydrophobicContact CD1-CB 3.65Å; I565-L612 HydrophobicContact CG2-CB 4.49Å; I565-L612 HydrophobicContact CG2-CD2 3.76Å; L567-L612 HydrophobicContact CB-CD2 4.12Å; L567-L612 HydrophobicContact CD2-CD2 4.31Å; F583-L612 WeakPolarHBondContact O-CD1 3.04Å; L593-L612 HydrophobicContact CD1-CD1 3.53Å; L612-L614 HydrophobicContact CD2-CD2 4.33Å; L612-L614 HydrophobicContact CG-CD2 4.28Å
613T95.7Very high84.8Confident4 Ų450.7 Ų50.73%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-96.6133.2176.8-62.90000111.2V554 W555 F583 G585 G587V554-T613 HydrophobicContact CG1-CG2 3.75Å; W555-T613 WeakPolarHBondContact O-CA 3.24Å; F583-T613 HydrophobicContact CD2-CG2 4.35Å; F583-T613 PolarHBondContact N-O 2.96Å; F583-T613 PolarHBondContact O-N 3.15Å; G585-T613 PolarHBondContact O-N 3.5Å; G585-T613 VanDerWaalsContact O-N 3.11Å; G585-T613 PolarHBondContact O-OG1 2.88Å; G587-T613 VanDerWaalsContact CA-OG1 3.3Å; G587-T613 WeakPolarHBondContact CA-OG1 3.4Å; G587-T613 PolarHBondContact N-OG1 2.82Å; G587-T613 VanDerWaalsContact N-OG1 3.1Å
614L94.9Very high83.2Confident0 Ų048.9 Ų48.90%029%0.285CS..EExtended strand (participates in β ladder)trans-110.9132.3174.1-51.6179.8000109.2V538 V554 W555 L557 L567 L582 L612 L633V538-L614 HydrophobicContact CB-CD1 4.16Å; V538-L614 HydrophobicContact CG1-CD1 4.09Å; V538-L614 HydrophobicContact CG2-CD1 4Å; V554-L614 CarbonylContact C-O 3.47Å; V554-L614 WeakPolarHBondContact CA-O 3.42Å; W555-L614 HydrophobicContact CB-CB 4.41Å; W555-L614 HydrophobicContact CE3-CB 4.21Å; W555-L614 PolarHBondContact N-O 3.44Å; W555-L614 PolarHBondContact O-N 2.83Å; L557-L614 HydrophobicContact CD1-CD1 3.82Å; L557-L614 HydrophobicContact CD1-CD2 4.46Å; L557-L614 HydrophobicContact CD1-CG 3.96Å; L567-L614 HydrophobicContact CD2-CD2 4.04Å; L582-L614 HydrophobicContact CB-CD2 4.2Å; L582-L614 HydrophobicContact CD2-CD2 3.56Å; L582-L614 HydrophobicContact CG-CD2 3.64Å; L612-L614 HydrophobicContact CD2-CD2 4.33Å; L612-L614 HydrophobicContact CG-CD2 4.28Å; L614-L633 HydrophobicContact CD1-CD1 3.85Å
615Q94.5Very high81.4Confident26 Ų2646.6 Ų46.612%0.12129%0.293CS..EExtended strand (participates in β ladder)trans-125.4124.5171.2-176.1167.722.700110.6D552 C553 V554 L580 T581 F583 Q617D552-Q615 PolarHBondContact OD1-NE2 3Å; D552-Q615 PolarHBondContact OD2-NE2 2.84Å; C553-Q615 CarbonylContact O-C 3.57Å; C553-Q615 VanDerWaalsContact O-CA 3.32Å; C553-Q615 WeakPolarHBondContact O-CA 3.42Å; V554-Q615 HydrophobicContact CG2-CB 4.31Å; V554-Q615 HydrophobicContact CG2-CG 3.92Å; L580-Q615 CarbonylContact C-O 3.52Å; L580-Q615 WeakPolarHBondContact CA-O 3.37Å; T581-Q615 PolarHBondContact N-O 3.48Å; T581-Q615 PolarHBondContact O-N 3.41Å; F583-Q615 HydrophobicContact CE2-CB 3.82Å; Q615-Q617 HydrophobicContact CG-CG 4.2Å
616F93.1Very high79.5Confident0 Ų048.1 Ų48.10%031%0.313CS..EExtended strand (participates in β ladder)trans-108.4124.2173.7174.5-123.3000110.8P541 Y547 Q551 D552 C553 W555 V574 D578 L580 A618 F631P541-F616 HydrophobicContact CG-CD1 4.48Å; Y547-F616 HydrophobicContact CD1-CZ 4.47Å; Y547-F616 AromaticContact CD2-CE1 3.83Å; Y547-F616 HydrophobicContact CD2-CE1 3.83Å; Y547-F616 AromaticContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CD2-CZ 3.75Å; Y547-F616 HydrophobicContact CE1-CZ 4.36Å; Y547-F616 HydrophobicContact CE2-CE1 4.18Å; Y547-F616 AromaticContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CE2-CZ 3.6Å; Y547-F616 HydrophobicContact CG-CE1 4.06Å; Y547-F616 HydrophobicContact CG-CZ 4.19Å; Y547-F616 AromaticContact CZ-CZ 3.93Å; Q551-F616 HydrophobicContact CB-CE1 4.47Å; D552-F616 CarbonylContact C-O 3.54Å; D552-F616 WeakPolarHBondContact CA-O 3.48Å; C553-F616 HydrophobicContact CB-CB 4.47Å; C553-F616 PolarHBondContact N-O 2.98Å; C553-F616 PolarHBondContact O-N 3.34Å; W555-F616 HydrophobicContact CH2-CB 4.05Å; W555-F616 HydrophobicContact CZ3-CB 3.67Å; V574-F616 HydrophobicContact CG1-CE2 3.55Å; V574-F616 HydrophobicContact CG1-CZ 4.04Å; D578-F616 HydrophobicContact CB-CE2 4.09Å; L580-F616 HydrophobicContact CB-CD2 4.45Å; L580-F616 HydrophobicContact CD1-CB 4.2Å; F616-A618 HydrophobicContact CE1-CB 4.13Å; F616-A618 HydrophobicContact CZ-CB 3.84Å; F616-F631 HydrophobicContact CB-CE1 3.99Å; F616-F631 HydrophobicContact CB-CZ 4Å; F616-F631 AromaticContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CZ 4.42Å; F616-F631 AromaticContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CE1-CE1 4.38Å; F616-F631 HydrophobicContact CE2-CE1 4.17Å; F616-F631 AromaticContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CZ 4.07Å; F616-F631 HydrophobicContact CZ-CE1 4.48Å
617Q90.9Very high77.9Confident64 Ų6451.8 Ų51.830%0.29933%0.332SS..EExtended strand (participates in β ladder)trans-121.6120.6178.5-74.8171.8-16.100110.4Q551 D552 D578 M579 Q615Q551-Q617 WeakPolarHBondContact O-CA 3.48Å; D552-Q617 HydrophobicContact CB-CG 4.46Å; D552-Q617 VanDerWaalsContact OD1-CG 3.24Å; D552-Q617 WeakPolarHBondContact OD1-CG 3.46Å; D578-Q617 CarbonylContact C-O 3.59Å; D578-Q617 WeakPolarHBondContact CA-O 3.42Å; M579-Q617 VanDerWaalsContact CE-OE1 3.29Å; M579-Q617 PolarHBondContact N-O 2.96Å; M579-Q617 PolarHBondContact O-N 3.28Å; Q615-Q617 HydrophobicContact CG-CG 4.2Å
618A86.7Confident76.1Confident5 Ų552 Ų524%0.04134%0.335CS..  trans-116.1109.3170.400000108.9Y547 G550 Q551 F616Y547-A618 HydrophobicContact CD2-CB 4.29Å; Y547-A618 HydrophobicContact CE2-CB 4.11Å; G550-A618 CarbonylContact C-O 3.57Å; G550-A618 WeakPolarHBondContact CA-O 3.41Å; G550-A618 PolarHBondContact N-O 2.9Å; Q551-A618 HydrophobicContact CB-CB 4.45Å; Q551-A618 PolarHBondContact N-O 2.98Å; Q551-A618 PolarHBondContact O-N 3.29Å; F616-A618 HydrophobicContact CE1-CB 4.13Å; F616-A618 HydrophobicContact CZ-CB 3.84Å
619P80.9Confident75.2Confident72 Ų7255.1 Ų55.147%0.46834%0.343SS..  trans-57.1150.2-179.621.2-33.4000113.1G550 D578 G621G550-P619 PolarHBondContact N-O 3.43Å; D578-P619 WeakPolarHBondContact OD1-CD 3.31Å; P619-G621 PolarHBondContact O-N 2.73Å
620P74.9Confident74.9Confident119 Ų11954.5 Ų54.577%0.77334%0.336SS*.  trans-68.6130.4176.228.7-34.4000110.8
621G64.4Low74.7Confident40 Ų4054.1 Ų54.141%0.41233%0.334SS..  trans-170173.5-179.400000111.3P549 P619P549-G621 WeakPolarHBondContact CB-O 3.49Å; P549-G621 WeakPolarHBondContact CG-O 3.47Å; P619-G621 PolarHBondContact O-N 2.73Å
622P59.4Low74.6Confident94 Ų9452.6 Ų52.661%0.6133%0.326SS*.  trans-62.3147.7177.427.4-34.7000111.2N624P622-N624 PolarHBondContact O-N 2.75Å
623P55.2Low74.5Confident100 Ų10052.5 Ų52.565%0.64933%0.326SS*.  trans-73.678.4174.731.9-35000110.2P625P623-P625 WeakPolarHBondContact O-CD 3.17Å
624N49.7Very low74.4Confident112 Ų11255.5 Ų55.560%0.59934%0.339SS*.  trans-61.9123.8172.7-76.7-1.9000109.6P622 G626P622-N624 PolarHBondContact O-N 2.75Å; N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 2.9Å
625P47.8Very low74.3Confident127 Ų12755.8 Ų55.883%0.82534%0.34SS*.SBendtrans-74.978.8176.430.7-34.3000109.9P623P623-P625 WeakPolarHBondContact O-CD 3.17Å
626G49Very low74.3Confident50 Ų5059.8 Ų59.852%0.51536%0.357SS..SBendtrans-171.3112.8-175.900000114.7N624 G628N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 2.9Å; G626-G628 PolarHBondContact O-N 2.83Å
627L54.8Low74.3Confident141 Ų14162.4 Ų62.474%0.73837%0.37SS*.SBendtrans57.651.6151.6-145.874000117.6
628G55.2Low74Confident9 Ų960.7 Ų60.79%0.09336%0.364CS..  trans-138.890.8158.600000110S546 N573 G626 G630S546-G628 WeakPolarHBondContact CB-O 3.38Å; N573-G628 CarbonylContact O-C 3.57Å; N573-G628 WeakPolarHBondContact O-CA 3.34Å; G626-G628 PolarHBondContact O-N 2.83Å; G628-G630 VanDerWaalsContact C-N 3.35Å
629Q64.7Low73.6Confident125 Ų12565.1 Ų65.158%0.58439%0.392SS*.  trans-79.8-17178.6-72.1175.1-37.400112.8W543 N573W543-Q629 VanDerWaalsContact CE3-O 3.25Å; W543-Q629 WeakPolarHBondContact CZ3-O 3.38Å; N573-Q629 HydrophobicContact CB-CB 4.15Å; N573-Q629 PolarHBondContact ND2-OE1 2.8Å; N573-Q629 PolarHBondContact O-N 2.89Å
630G80.9Confident73.1Confident0 Ų065.7 Ų65.70%039%0.385CS..EExtended strand (participates in β ladder)trans107.9-154.1-178.600000113.5S540 N573 G628S540-G630 VanDerWaalsContact OG-CA 3.22Å; S540-G630 WeakPolarHBondContact OG-CA 3.23Å; N573-G630 CarbonylContact C-O 3.42Å; N573-G630 PolarHBondContact N-O 2.79Å; N573-G630 PolarHBondContact O-N 2.85Å; G628-G630 VanDerWaalsContact C-N 3.35Å
631F87.9Confident72.5Confident0 Ų065 Ų650%037%0.374CS..EExtended strand (participates in β ladder)trans-146.6154.2179.658.9-105.3000113.5V538 L539 S540 W555 I571 L572 V574 L580 F616 L633V538-F631 HydrophobicContact CG1-CE2 4.45Å; L539-F631 VanDerWaalsContact C-CE2 3.49Å; L539-F631 WeakPolarHBondContact CA-O 3.29Å; S540-F631 PolarHBondContact N-O 2.99Å; S540-F631 PolarHBondContact OG-N 3.41Å; S540-F631 VanDerWaalsContact OG-N 3.15Å; W555-F631 HydrophobicContact CH2-CE2 4.39Å; W555-F631 AromaticContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CH2-CZ 3.78Å; W555-F631 HydrophobicContact CZ3-CZ 4.01Å; I571-F631 CarbonylContact O-C 3.56Å; I571-F631 VanDerWaalsContact O-CA 3.28Å; I571-F631 WeakPolarHBondContact O-CA 3.39Å; I571-F631 WeakPolarHBondContact O-CB 3.34Å; L572-F631 HydrophobicContact CD1-CB 4.02Å; V574-F631 HydrophobicContact CG2-CB 4.46Å; V574-F631 HydrophobicContact CG2-CD1 4.09Å; L580-F631 HydrophobicContact CD1-CE1 4.45Å; L580-F631 HydrophobicContact CD1-CZ 4.24Å; L580-F631 HydrophobicContact CD2-CD1 4.46Å; L580-F631 HydrophobicContact CD2-CG 4.45Å; F616-F631 HydrophobicContact CB-CE1 3.99Å; F616-F631 HydrophobicContact CB-CZ 4Å; F616-F631 AromaticContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CE1 3.96Å; F616-F631 HydrophobicContact CD1-CZ 4.42Å; F616-F631 AromaticContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CD2-CE1 3.7Å; F616-F631 HydrophobicContact CE1-CE1 4.38Å; F616-F631 HydrophobicContact CE2-CE1 4.17Å; F616-F631 AromaticContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CE1 3.59Å; F616-F631 HydrophobicContact CG-CZ 4.07Å; F616-F631 HydrophobicContact CZ-CE1 4.48Å; F631-L633 HydrophobicContact CD2-CD1 3.79Å; F631-L633 HydrophobicContact CD2-CG 3.83Å; F631-L633 HydrophobicContact CE2-CD1 3.91Å; F631-L633 HydrophobicContact CE2-CG 4.41Å
632V90.4Very high72.4Confident14 Ų1465.3 Ų65.39%0.08537%0.367CS..EExtended strand (participates in β ladder)trans-133.7115.9175.7-177.50000108.5V537 L539 W543 E570 I571V537-V632 HydrophobicContact CG1-CG1 3.99Å; L539-V632 HydrophobicContact CD2-CB 4.35Å; L539-V632 HydrophobicContact CD2-CG1 4.04Å; L539-V632 HydrophobicContact CD2-CG2 3.93Å; W543-V632 HydrophobicContact CD2-CG2 3.99Å; W543-V632 VanDerWaalsContact CE2-CG2 3.49Å; W543-V632 HydrophobicContact CE3-CG2 4.21Å; W543-V632 HydrophobicContact CH2-CG2 3.6Å; W543-V632 HydrophobicContact CZ2-CG2 3.3Å; W543-V632 HydrophobicContact CZ3-CG2 4.02Å; E570-V632 PolarHBondContact N-O 2.8Å; I571-V632 HydrophobicContact CB-CB 4.11Å; I571-V632 HydrophobicContact CB-CG2 4.18Å; I571-V632 HydrophobicContact CD1-CG2 4.15Å; I571-V632 HydrophobicContact CG1-CB 4.41Å; I571-V632 HydrophobicContact CG1-CG2 4.42Å; I571-V632 PolarHBondContact N-O 2.87Å; I571-V632 PolarHBondContact O-N 2.82Å
633L92.5Very high72.9Confident0 Ų063.4 Ų63.40%035%0.353CS..EExtended strand (participates in β ladder)trans-121.7117.7-176.2-48.4169.9000108.7V537 V538 L567 V569 L580 L614 F631V537-L633 CarbonylContact C-O 3.57Å; V537-L633 WeakPolarHBondContact CA-O 3.31Å; V538-L633 HydrophobicContact CB-CB 4.34Å; V538-L633 HydrophobicContact CB-CD1 4.42Å; V538-L633 PolarHBondContact N-O 2.79Å; V538-L633 PolarHBondContact O-N 3.26Å; L567-L633 HydrophobicContact CD1-CB 4.03Å; V569-L633 HydrophobicContact CB-CD2 4.27Å; V569-L633 HydrophobicContact CG1-CD2 4.1Å; V569-L633 HydrophobicContact CG2-CD2 3.97Å; L580-L633 HydrophobicContact CD2-CD1 3.79Å; L580-L633 HydrophobicContact CD2-CD2 4.17Å; L614-L633 HydrophobicContact CD1-CD1 3.85Å; F631-L633 HydrophobicContact CD2-CD1 3.79Å; F631-L633 HydrophobicContact CD2-CG 3.83Å; F631-L633 HydrophobicContact CE2-CD1 3.91Å; F631-L633 HydrophobicContact CE2-CG 4.41Å
634H93.8Very high73.9Confident67 Ų6758.8 Ų58.831%0.3132%0.324SS..EExtended strand (participates in β ladder)trans-95.1130.1174.1-70.9-94.9000109.5L567 Q568 E570L567-H634 CarbonylContact C-O 3.58Å; Q568-H634 PolarHBondContact N-O 3.24Å; Q568-H634 PolarHBondContact O-N 3.04Å; E570-H634 IonicContact OE2-CD2 3.85Å; E570-H634 IonicContact OE2-NE2 2.74Å
635F94.6Very high75.3Confident6 Ų657.4 Ų57.43%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-118.1150.817575.9-86.4000111.1L531 E533 A535 G536 V538 L557 I565 L566 L567L531-F635 HydrophobicContact CB-CZ 4.23Å; L531-F635 HydrophobicContact CD1-CE1 4.27Å; E533-F635 WeakPolarHBondContact O-CE2 3.35Å; A535-F635 CarbonylContact C-O 3.57Å; A535-F635 VanDerWaalsContact CA-O 3.28Å; A535-F635 WeakPolarHBondContact CA-O 3.37Å; G536-F635 PolarHBondContact N-O 2.93Å; G536-F635 WeakPolarHBondContact O-CD1 3.31Å; G536-F635 PolarHBondContact O-N 3.07Å; V538-F635 HydrophobicContact CG2-CD1 4.24Å; V538-F635 HydrophobicContact CG2-CE1 4.37Å; L557-F635 HydrophobicContact CD1-CG 4.48Å; L557-F635 HydrophobicContact CD2-CD1 3.57Å; L557-F635 HydrophobicContact CD2-CD2 3.96Å; L557-F635 HydrophobicContact CD2-CE1 3.44Å; L557-F635 VanDerWaalsContact CD2-CE1 3.44Å; L557-F635 HydrophobicContact CD2-CE2 3.84Å; L557-F635 HydrophobicContact CD2-CG 3.83Å; L557-F635 HydrophobicContact CD2-CZ 3.59Å; I565-F635 HydrophobicContact CG2-CB 3.95Å; I565-F635 HydrophobicContact CG2-CD2 4.48Å; L566-F635 WeakPolarHBondContact O-CA 3.02Å; L567-F635 HydrophobicContact CD1-CB 3.67Å
636K93.3Very high76.9Confident110 Ų11058 Ų5848%0.47831%0.312SS..EExtended strand (participates in β ladder)trans-154.3154.8168.963.9173.9-173.9170.20112.5P534 A535 L566P534-K636 CarbonylContact O-C 3.59Å; P534-K636 WeakPolarHBondContact O-CA 3.3Å; A535-K636 HydrophobicContact CB-CB 3.73Å; L566-K636 HydrophobicContact CB-CG 4.39Å; L566-K636 PolarHBondContact N-O 2.99Å; L566-K636 PolarHBondContact O-N 2.93Å
637E92.4Very high78.6Confident55 Ų5556.9 Ų56.926%0.25730%0.295SS..EExtended strand (participates in β ladder)trans-64.4144.9167.967.8167-125.100111.8P534 V559 Q560 K563 R564P534-E637 HydrophobicContact CB-CG 4.09Å; P534-E637 PolarHBondContact O-N 3.42Å; V559-E637 HydrophobicContact CB-CB 4.2Å; V559-E637 HydrophobicContact CG1-CB 4.2Å; V559-E637 HydrophobicContact CG2-CB 4.34Å; Q560-E637 PolarHBondContact NE2-OE2 2.97Å; K563-E637 HydrophobicContact CB-CB 4.2Å; K563-E637 HydrophobicContact CG-CB 4.26Å; R564-E637 CarbonylContact O-C 3.59Å; R564-E637 WeakPolarHBondContact O-CA 3.05Å
638V86.5Confident79.9Confident29 Ų2954.3 Ų54.318%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-142.6153.8170.9-69.30000109.3K563 R564 L566 L606K563-V638 WeakPolarHBondContact CA-O 3.38Å; K563-V638 WeakPolarHBondContact CB-O 3.33Å; R564-V638 HydrophobicContact CB-CG2 4.06Å; R564-V638 PolarHBondContact N-O 3.41Å; R564-V638 WeakPolarHBondContact O-CG2 3.37Å; R564-V638 PolarHBondContact O-N 2.96Å; L566-V638 HydrophobicContact CB-CG1 3.73Å; L566-V638 HydrophobicContact CB-CG2 3.92Å; L566-V638 HydrophobicContact CD2-CG1 4.2Å; L606-V638 HydrophobicContact CD1-CG2 3.5Å; L606-V638 VanDerWaalsContact CD1-CG2 3.5Å
639P78.1Confident81.4Confident97 Ų9757.6 Ų57.663%0.6331%0.306SS*.EExtended strand (participates in β ladder)trans-61.2155172.426.8-35.5000111.6N641P639-N641 PolarHBondContact O-N 3.49Å; P639-N641 VanDerWaalsContact O-N 3.09Å
640R70.4Confident82.6Confident85 Ų8552.5 Ų52.532%0.32128%0.283SS..  trans-65.2111178.3-78.9174.1-179.8-128.39.4110.9E561 E562 K563 R564 D642 T643E561-R640 PolarHBondContact O-NH2 2.98Å; E562-R640 WeakPolarHBondContact O-CD 3.16Å; E562-R640 WeakPolarHBondContact O-CG 3.24Å; E562-R640 PolarHBondContact O-NE 3.26Å; K563-R640 PolarHBondContact O-NE 3.06Å; R564-R640 HydrophobicContact CG-CG 3.94Å; R640-D642 PolarHBondContact O-N 2.98Å; R640-T643 PolarHBondContact O-N 3.4Å; R640-T643 PolarHBondContact O-OG1 2.9Å
641N61.8Low82.8Confident103 Ų10360.1 Ų60.155%0.55132%0.319SS*.THydrogen-bonded Turntrans-66.832.1177.4-161.592.2000114.6L606 P639 L690L606-N641 HydrophobicContact CD2-CB 4.02Å; P639-N641 PolarHBondContact O-N 3.49Å; P639-N641 VanDerWaalsContact O-N 3.09Å; N641-L690 WeakPolarHBondContact O-CD1 3.2Å
642D62.3Low82.8Confident48 Ų4866.8 Ų66.826%0.25734%0.344SS..THydrogen-bonded Turntrans-105.210169.3-60.7-12.8000111.1R564 R640 I663 R664 L690R564-D642 IonicContact CZ-OD1 3.7Å; R564-D642 IonicContact CZ-OD2 2.6Å; R564-D642 IonicContact NH1-OD1 3.51Å; R564-D642 PolarHBondContact NH1-OD1 3Å; R564-D642 IonicContact NH1-OD2 3.9Å; R564-D642 PolarHBondContact NH1-OD2 3.03Å; R564-D642 IonicContact NH2-OD1 3.23Å; R564-D642 PolarHBondContact NH2-OD1 3.48Å; R564-D642 IonicContact NH2-OD2 2.76Å; R564-D642 PolarHBondContact NH2-OD2 2.9Å; R640-D642 PolarHBondContact O-N 2.98Å; D642-I663 CarbonylContact O-C 3.6Å; D642-I663 WeakPolarHBondContact O-CA 3.24Å; D642-R664 PolarHBondContact O-N 3.07Å; D642-R664 IonicContact OD1-NH1 2.66Å; D642-L690 WeakPolarHBondContact O-CD2 3.3Å
643T69.1Low82.7Confident53 Ų5366.8 Ų66.833%0.32535%0.348SS..BIsolated β-bridgetrans-88.1132.8178.450.40000112.5R640 L662 I663R640-T643 PolarHBondContact O-N 3.4Å; R640-T643 PolarHBondContact O-OG1 2.9Å; T643-L662 CarbonylContact C-O 3.49Å; T643-L662 VanDerWaalsContact CA-O 3.3Å; T643-L662 WeakPolarHBondContact CA-O 3.04Å; T643-I663 HydrophobicContact CG2-CG2 3.91Å
644C75.9Confident82.4Confident4 Ų472 Ų723%0.02737%0.367CS..PPolyproline II helixtrans-67154.9165.5-75.50000111.3L662 C686 L690 S691 W692C644-L662 PolarHBondContact N-O 3.47Å; C644-C686 HydrophobicContact CB-CB 3.85Å; C644-C686 WeakPolarHBondContact CB-SG 3.31Å; C644-C686 WeakPolarHBondContact SG-CA 3.37Å; C644-C686 WeakPolarHBondContact SG-CB 3.44Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 2.95Å; C644-L690 PolarHBondContact SG-O 2.73Å; C644-L690 VanDerWaalsContact SG-O 3.4Å; C644-S691 PolarHBondContact SG-O 3.36Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; C644-W692 HydrophobicContact CB-CD2 4.22Å; C644-W692 HydrophobicContact CB-CH2 4.28Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å
645P80.3Confident82.2Confident82 Ų8272.1 Ų72.153%0.53237%0.365SS..PPolyproline II helixtrans-61.6143179.125.8-35.2000111.6L647 L690 W692P645-L647 PolarHBondContact O-N 3.42Å; P645-L690 WeakPolarHBondContact CD-O 3.37Å; P645-W692 PolarHBondContact O-NE1 2.6Å
646E80.4Confident81.8Confident140 Ų14074.9 Ų74.965%0.65438%0.383SS*.PPolyproline II helixtrans-71.8128.9-177.6-177.6158-141.400112.5R655 L662E646-R655 IonicContact OE1-CZ 3.49Å; E646-R655 IonicContact OE1-NH1 3.66Å; E646-R655 IonicContact OE1-NH2 3.71Å; E646-R655 PolarHBondContact OE1-NH2 2.93Å; E646-L662 HydrophobicContact CB-CD1 3.92Å; E646-L662 HydrophobicContact CG-CD1 4.04Å
647L85Confident81.3Confident27 Ų2772 Ų7214%0.14138%0.379CS..PPolyproline II helixtrans-99.7137.4175-62.1177.9000110.5P645 R655 L668 Y670 L684 W692 P696P645-L647 PolarHBondContact O-N 3.42Å; L647-R655 PolarHBondContact O-NE 2.84Å; L647-R655 PolarHBondContact O-NH1 2.86Å; L647-L668 HydrophobicContact CD1-CD1 4.32Å; L647-Y670 WeakPolarHBondContact CB-OH 3.22Å; L647-L684 HydrophobicContact CD1-CD2 3.52Å; L647-W692 HydrophobicContact CD1-CB 4.43Å; L647-W692 HydrophobicContact CD1-CD2 4.02Å; L647-W692 HydrophobicContact CD1-CG 3.76Å; L647-W692 HydrophobicContact CG-CG 4.42Å; L647-P696 HydrophobicContact CD1-CB 4.36Å; L647-P696 HydrophobicContact CD2-CG 4.36Å
648P83.4Confident80.6Confident87 Ų8772.3 Ų72.357%0.56539%0.387SS*.PPolyproline II helixtrans-66.7158176.729.2-35.4000112.2
649P86.3Confident79.7Confident78 Ų7876.1 Ų76.151%0.50640%0.403SS..PPolyproline II helixtrans-64.9152.9163.131.7-34.7000110.7R655P649-R655 HydrophobicContact CB-CG 4.41Å
650P88.3Confident79.1Confident17 Ų1775.4 Ų75.411%0.1141%0.413CS..PPolyproline II helixtrans-76150.5176.933.1-33.5000110.6W652 G653 Y670P650-W652 PolarHBondContact O-N 2.77Å; P650-G653 PolarHBondContact O-N 3.2Å; P650-Y670 HydrophobicContact CG-CD1 4.06Å
651E86.9Confident78.9Confident161 Ų16176.4 Ų76.475%0.75243%0.425SS*.THydrogen-bonded Turntrans-61.4137.5168.1-63-170.3166.300110G653 C699E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.39Å; E651-C699 WeakPolarHBondContact O-CB 3.34Å
652W87Confident79.6Confident139 Ų13972.6 Ų72.653%0.52740%0.404SS..THydrogen-bonded Turntrans57.438.2-176.1-44.596.6000113.5P650 E673 Y676P650-W652 PolarHBondContact O-N 2.77Å; W652-E673 WeakPolarHBondContact O-CB 3.47Å; W652-E673 PolarHBondContact O-N 2.91Å; W652-Y676 HydrophobicContact CB-CD1 3.73Å; W652-Y676 HydrophobicContact CB-CD2 4.14Å; W652-Y676 HydrophobicContact CB-CE1 3.56Å; W652-Y676 HydrophobicContact CB-CE2 4.02Å; W652-Y676 HydrophobicContact CB-CG 4.04Å; W652-Y676 AromaticContact CD1-CE1 3.62Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 HydrophobicContact CD2-CE2 4.46Å; W652-Y676 AromaticContact CD2-CZ 3.83Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE1 3.48Å; W652-Y676 VanDerWaalsContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE2 4.22Å; W652-Y676 AromaticContact CG-CZ 3.52Å
653G87.9Confident80.3Confident15 Ų1573.4 Ų73.416%0.15541%0.408CS..EExtended strand (participates in β ladder)trans-166.6-174.2173.200000113.1P650 E651 Q671P650-G653 PolarHBondContact O-N 3.2Å; E651-G653 VanDerWaalsContact C-N 3.28Å; E651-G653 PolarHBondContact O-N 3.39Å; G653-Q671 CarbonylContact C-O 3.55Å; G653-Q671 WeakPolarHBondContact CA-O 3.05Å
654W86.6Confident80.7Confident108 Ų10877.1 Ų77.141%0.40942%0.416SS..EExtended strand (participates in β ladder)trans-139159.8177.462.894.4000111.4Q671 E673W654-Q671 HydrophobicContact CD2-CB 4.13Å; W654-Q671 HydrophobicContact CH2-CB 4.27Å; W654-Q671 HydrophobicContact CZ2-CB 3.63Å; W654-Q671 HydrophobicContact CZ2-CG 4.49Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.13Å; W654-Q671 PolarHBondContact O-N 3.25Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.13Å
655R89.6Confident80.6Confident70 Ų7079.4 Ų79.426%0.26444%0.44SS..EExtended strand (participates in β ladder)trans-113.2145.2168.966.1177.8178.4134.28.3109.8E646 L647 P649 T669 Y670E646-R655 IonicContact OE1-CZ 3.49Å; E646-R655 IonicContact OE1-NH1 3.66Å; E646-R655 IonicContact OE1-NH2 3.71Å; E646-R655 PolarHBondContact OE1-NH2 2.93Å; L647-R655 PolarHBondContact O-NE 2.84Å; L647-R655 PolarHBondContact O-NH1 2.86Å; P649-R655 HydrophobicContact CB-CG 4.41Å; R655-T669 CarbonylContact C-O 3.58Å; R655-T669 WeakPolarHBondContact CA-O 3.37Å; R655-Y670 HydrophobicContact CB-CD1 3.94Å; R655-Y670 HydrophobicContact CB-CE1 3.78Å; R655-Y670 HydrophobicContact CB-CG 4.43Å
656T85.9Confident80.7Confident65 Ų6575.5 Ų75.540%0.39942%0.415SS..EExtended strand (participates in β ladder)trans-120.7150.9166.154.40000109.7L668 T669T656-L668 CarbonylContact O-C 3.6Å; T656-L668 WeakPolarHBondContact O-CA 3.5Å; T656-T669 PolarHBondContact N-O 2.82Å; T656-T669 PolarHBondContact O-N 3.38Å; T656-T669 PolarHBondContact OG1-O 2.88Å
657A83.7Confident81Confident49 Ų4971 Ų7141%0.40540%0.398SS..EExtended strand (participates in β ladder)trans-117.7145.8179.800000110.5H659 V667 L668A657-H659 VanDerWaalsContact C-N 3.26Å; A657-H659 VanDerWaalsContact CB-O 3.24Å; A657-H659 WeakPolarHBondContact CB-O 3.4Å; A657-H659 PolarHBondContact O-N 3.36Å; A657-V667 CarbonylContact C-O 3.58Å; A657-V667 WeakPolarHBondContact CA-O 3.41Å; A657-L668 HydrophobicContact CB-CD2 3.68Å
658S76.3Confident81.1Confident61 Ų6169.8 Ų69.843%0.42739%0.391SS..SBendtrans-71.3-21.2175.767.70000113.7V667S658-V667 PolarHBondContact N-O 2.86Å; S658-V667 PolarHBondContact OG-N 3.02Å
659H68.3Low81.4Confident109 Ų10967.6 Ų67.651%0.50538%0.376SS..SBendtrans-138.1159.9178.7-64.5111.5000109.5A657 T666A657-H659 VanDerWaalsContact C-N 3.26Å; A657-H659 VanDerWaalsContact CB-O 3.24Å; A657-H659 WeakPolarHBondContact CB-O 3.4Å; A657-H659 PolarHBondContact O-N 3.36Å; H659-T666 HydrophobicContact CB-CG2 4.34Å
660G66.6Low81.6Confident82 Ų8264.2 Ų64.285%0.84535%0.353SS*.SBendtrans-67.6-43.3177.500000112.8
661D64.6Low81.6Confident107 Ų10767.4 Ų67.457%0.57237%0.367SS*.SBendtrans-91.6143174.4-57.5-72.4000111.5I663 T666D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.73Å; D661-T666 PolarHBondContact O-OG1 3.45Å
662L78Confident81.8Confident22 Ų2260.8 Ų60.812%0.11534%0.338CS..  trans-79.640.3-176.6-58.3178.4000113.4T643 C644 E646 T666 L668 W692T643-L662 CarbonylContact C-O 3.49Å; T643-L662 VanDerWaalsContact CA-O 3.3Å; T643-L662 WeakPolarHBondContact CA-O 3.04Å; C644-L662 PolarHBondContact N-O 3.47Å; E646-L662 HydrophobicContact CB-CD1 3.92Å; E646-L662 HydrophobicContact CG-CD1 4.04Å; L662-T666 HydrophobicContact CD2-CG2 4.49Å; L662-L668 HydrophobicContact CD2-CD2 3.96Å; L662-W692 HydrophobicContact CB-CZ2 4.29Å; L662-W692 HydrophobicContact CD1-CZ2 4.37Å; L662-W692 HydrophobicContact CD2-CH2 4.31Å; L662-W692 HydrophobicContact CD2-CZ2 4.41Å
663I76.9Confident81.8Confident66 Ų6658.1 Ų58.134%0.33833%0.332SS..BIsolated β-bridgetrans-68.6161.3-175.556.8166.5000113.4D642 T643 D661 G665 T666D642-I663 CarbonylContact O-C 3.6Å; D642-I663 WeakPolarHBondContact O-CA 3.24Å; T643-I663 HydrophobicContact CG2-CG2 3.91Å; D661-I663 HydrophobicContact CB-CG2 4.05Å; D661-I663 PolarHBondContact O-N 2.73Å; I663-G665 PolarHBondContact O-N 2.77Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.96Å; I663-T666 WeakPolarHBondContact O-CB 3.19Å; I663-T666 PolarHBondContact O-N 2.79Å; I663-T666 PolarHBondContact O-OG1 2.03Å
664R75.8Confident81.6Confident130 Ų13062.6 Ų62.649%0.49136%0.358SS..THydrogen-bonded Turntrans-38.9129.8170.1-75178.3165.9140.6-4.4113.1D642 T666 W688 L690D642-R664 PolarHBondContact O-N 3.07Å; D642-R664 IonicContact OD1-NH1 2.66Å; R664-T666 VanDerWaalsContact C-N 3.26Å; R664-T666 PolarHBondContact O-N 3.11Å; R664-W688 PolarHBondContact NE-O 2.85Å; R664-W688 PolarHBondContact NH2-O 3.16Å; R664-L690 HydrophobicContact CG-CD2 3.58Å
665G75.8Confident81.1Confident52 Ų5257.8 Ų57.854%0.53634%0.342SS..THydrogen-bonded Turntrans80.2-4.5-177.200000115.1I663 C686I663-G665 PolarHBondContact O-N 2.77Å; G665-C686 PolarHBondContact N-O 2.99Å
666T80.6Confident80.9Confident0 Ų056.9 Ų56.90%034%0.339CS..  trans-64.1138.7172-620000110.6H659 D661 L662 I663 R664 T685 C686H659-T666 HydrophobicContact CB-CG2 4.34Å; D661-T666 PolarHBondContact O-OG1 3.45Å; L662-T666 HydrophobicContact CD2-CG2 4.49Å; I663-T666 WeakPolarHBondContact CG1-OG1 3.02Å; I663-T666 PolarHBondContact N-OG1 2.96Å; I663-T666 WeakPolarHBondContact O-CB 3.19Å; I663-T666 PolarHBondContact O-N 2.79Å; I663-T666 PolarHBondContact O-OG1 2.03Å; R664-T666 VanDerWaalsContact C-N 3.26Å; R664-T666 PolarHBondContact O-N 3.11Å; T666-T685 WeakPolarHBondContact O-CA 3.34Å; T666-C686 PolarHBondContact O-N 2.79Å
667V87.3Confident81Confident47 Ų4758 Ų5829%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-108.9123.9-179-171.40000108.2A657 S658 I683 L684 T685A657-V667 CarbonylContact C-O 3.58Å; A657-V667 WeakPolarHBondContact CA-O 3.41Å; S658-V667 PolarHBondContact N-O 2.86Å; S658-V667 PolarHBondContact OG-N 3.02Å; V667-I683 HydrophobicContact CG1-CG2 3.5Å; V667-L684 WeakPolarHBondContact CA-O 3.39Å; V667-T685 HydrophobicContact CG1-CG2 4.32Å; V667-T685 HydrophobicContact CG2-CG2 4.2Å
668L88.1Confident81.2Confident1 Ų158 Ų581%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-96.7133.5166.2-68.8179.2000109.1L647 T656 A657 L662 Y670 I683 L684 W692L647-L668 HydrophobicContact CD1-CD1 4.32Å; T656-L668 CarbonylContact O-C 3.6Å; T656-L668 WeakPolarHBondContact O-CA 3.5Å; A657-L668 HydrophobicContact CB-CD2 3.68Å; L662-L668 HydrophobicContact CD2-CD2 3.96Å; L668-Y670 HydrophobicContact CB-CD2 4.45Å; L668-Y670 HydrophobicContact CB-CE2 3.82Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; L668-I683 WeakPolarHBondContact O-CA 3.37Å; L668-L684 HydrophobicContact CB-CB 4.31Å; L668-L684 PolarHBondContact N-O 2.8Å; L668-L684 PolarHBondContact O-N 2.03Å; L668-W692 HydrophobicContact CB-CZ3 4.38Å; L668-W692 HydrophobicContact CD1-CD2 4.49Å; L668-W692 HydrophobicContact CD1-CE3 4.27Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.67Å; L668-W692 HydrophobicContact CD1-CZ3 3.77Å; L668-W692 HydrophobicContact CG-CH2 3.58Å; L668-W692 HydrophobicContact CG-CZ2 4.29Å; L668-W692 HydrophobicContact CG-CZ3 3.75Å
669T88.9Confident81.9Confident41 Ų4159.2 Ų59.225%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-118.6125.7173.8-560000109.6R655 T656 D682 I683R655-T669 CarbonylContact C-O 3.58Å; R655-T669 WeakPolarHBondContact CA-O 3.37Å; T656-T669 PolarHBondContact N-O 2.82Å; T656-T669 PolarHBondContact O-N 3.38Å; T656-T669 PolarHBondContact OG1-O 2.88Å; T669-D682 CarbonylContact C-O 3.57Å; T669-D682 WeakPolarHBondContact CA-O 3.32Å; T669-I683 HydrophobicContact CG2-CG1 4.47Å
670Y90.8Very high82.8Confident6 Ų657 Ų572%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-104.3137.4-177-72.1-97.6000111L647 P650 R655 L668 D682 L684 P697L647-Y670 WeakPolarHBondContact CB-OH 3.22Å; P650-Y670 HydrophobicContact CG-CD1 4.06Å; R655-Y670 HydrophobicContact CB-CD1 3.94Å; R655-Y670 HydrophobicContact CB-CE1 3.78Å; R655-Y670 HydrophobicContact CB-CG 4.43Å; L668-Y670 HydrophobicContact CB-CD2 4.45Å; L668-Y670 HydrophobicContact CB-CE2 3.82Å; L668-Y670 HydrophobicContact CD1-CE2 4.3Å; Y670-D682 PolarHBondContact N-O 3.4Å; Y670-L684 HydrophobicContact CD2-CD1 4.14Å; Y670-L684 HydrophobicContact CE2-CB 4.37Å; Y670-L684 HydrophobicContact CE2-CD1 4.03Å; Y670-L684 HydrophobicContact CE2-CD2 4.07Å; Y670-L684 HydrophobicContact CE2-CG 4.39Å; Y670-P697 HydrophobicContact CD1-CG 3.73Å; Y670-P697 HydrophobicContact CD2-CG 3.93Å; Y670-P697 HydrophobicContact CE1-CG 4.4Å; Y670-P697 HydrophobicContact CG-CG 3.47Å; Y670-P697 VanDerWaalsContact CG-CG 3.47Å
671Q88.5Confident83.8Confident84 Ų8455.4 Ų55.439%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-140.4135.8-176.9-64.9174.717.600109.5G653 W654G653-Q671 CarbonylContact C-O 3.55Å; G653-Q671 WeakPolarHBondContact CA-O 3.05Å; W654-Q671 HydrophobicContact CD2-CB 4.13Å; W654-Q671 HydrophobicContact CH2-CB 4.27Å; W654-Q671 HydrophobicContact CZ2-CB 3.63Å; W654-Q671 HydrophobicContact CZ2-CG 4.49Å; W654-Q671 VanDerWaalsContact CZ2-OE1 3.25Å; W654-Q671 PolarHBondContact N-O 2.88Å; W654-Q671 VanDerWaalsContact NE1-OE1 3.13Å; W654-Q671 PolarHBondContact O-N 3.25Å
672C90.3Very high84.9Confident23 Ų2354.6 Ų54.616%0.15531%0.312CS..EExtended strand (participates in β ladder)trans-95.5157.1179.4-60.60000112.3L678 C699C672-L678 VanDerWaalsContact SG-CD1 3.54Å; C672-C699 WeakPolarHBondContact CA-SG 3.38Å; C672-C699 HydrophobicContact CB-CB 3.8Å; C672-C699 WeakPolarHBondContact CB-SG 3.37Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.37Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.82Å
673E87.8Confident85.5Confident83 Ų8357.3 Ų57.339%0.38833%0.325SS..  trans-66.4151.9174.3-73.2-173.317100112.7W652 W654 G675 Y676W652-E673 WeakPolarHBondContact O-CB 3.47Å; W652-E673 PolarHBondContact O-N 2.91Å; W654-E673 HydrophobicContact CE3-CG 4.48Å; W654-E673 HydrophobicContact CZ3-CG 4.13Å; E673-G675 PolarHBondContact O-N 3.02Å; E673-Y676 HydrophobicContact CB-CD2 4.44Å; E673-Y676 PolarHBondContact O-N 3.42Å
674P82.3Confident86Confident109 Ų10954.1 Ų54.171%0.70831%0.309SS*.THydrogen-bonded Turntrans-56.1115.9-179.6-2635.3000112.5G753P674-G753 VanDerWaalsContact O-CA 3.24Å; P674-G753 WeakPolarHBondContact O-CA 3.36Å; P674-G753 PolarHBondContact O-N 2.9Å
675G76.6Confident86.6Confident7 Ų750.5 Ų50.57%0.07230%0.301CS..THydrogen-bonded Turntrans111.3-5.5-175.100000114.3E673 I702E673-G675 PolarHBondContact O-N 3.02Å; G675-I702 WeakPolarHBondContact O-CB 3.17Å; G675-I702 PolarHBondContact O-N 3.33Å
676Y86Confident87.1Confident51 Ų5148.2 Ų48.220%0.228%0.277CS..EExtended strand (participates in β ladder)trans-114.1148.4173.2-66.3-111.3000110.6W652 E673 C699 Q700 K701W652-Y676 HydrophobicContact CB-CD1 3.73Å; W652-Y676 HydrophobicContact CB-CD2 4.14Å; W652-Y676 HydrophobicContact CB-CE1 3.56Å; W652-Y676 HydrophobicContact CB-CE2 4.02Å; W652-Y676 HydrophobicContact CB-CG 4.04Å; W652-Y676 AromaticContact CD1-CE1 3.62Å; W652-Y676 HydrophobicContact CD2-CE1 4.24Å; W652-Y676 HydrophobicContact CD2-CE2 4.46Å; W652-Y676 AromaticContact CD2-CZ 3.83Å; W652-Y676 HydrophobicContact CG-CD1 4.17Å; W652-Y676 AromaticContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE1 3.48Å; W652-Y676 VanDerWaalsContact CG-CE1 3.48Å; W652-Y676 HydrophobicContact CG-CE2 4.22Å; W652-Y676 AromaticContact CG-CZ 3.52Å; E673-Y676 HydrophobicContact CB-CD2 4.44Å; E673-Y676 PolarHBondContact O-N 3.42Å; Y676-C699 HydrophobicContact CD1-CB 4.27Å; Y676-Q700 CarbonylContact C-O 3.48Å; Y676-Q700 WeakPolarHBondContact CA-O 3.43Å; Y676-K701 HydrophobicContact CD1-CB 4.01Å; Y676-K701 HydrophobicContact CE1-CB 3.79Å; Y676-K701 HydrophobicContact CE1-CG 4.49Å
677E87.4Confident87Confident89 Ų8951.5 Ų51.542%0.41629%0.293SS..EExtended strand (participates in β ladder)trans-110.9147.6172.960.7-173.5-17700110.9C699 Q700 I702E677-C699 CarbonylContact O-C 3.59Å; E677-C699 WeakPolarHBondContact O-CA 3.21Å; E677-Q700 PolarHBondContact N-O 2.88Å; E677-Q700 PolarHBondContact O-N 2.96Å; E677-I702 HydrophobicContact CB-CD1 4.01Å; E677-I702 HydrophobicContact CB-CG1 3.79Å; E677-I702 HydrophobicContact CG-CG1 3.84Å
678L88.9Confident86.1Confident49 Ų4959.1 Ų59.126%0.25732%0.316SS..EExtended strand (participates in β ladder)trans-85.9122.9-177.7-169.594.1000110.6C672 D682 P697C672-L678 VanDerWaalsContact SG-CD1 3.54Å; L678-D682 HydrophobicContact CD2-CB 3.66Å; L678-P697 HydrophobicContact CD1-CB 3.77Å; L678-P697 HydrophobicContact CD1-CG 3.77Å; L678-P697 HydrophobicContact CD2-CB 4.06Å; L678-P697 HydrophobicContact CD2-CG 4.29Å; L678-P697 HydrophobicContact CG-CB 3.84Å; L678-P697 HydrophobicContact CG-CG 4.27Å
679L90.7Very high85.6Confident86 Ų8663 Ų6345%0.4534%0.337SS..EExtended strand (participates in β ladder)trans-102.1108.1171.5-58.1-176.6000110P697 A698 Q700L679-P697 VanDerWaalsContact O-CA 3.27Å; L679-P697 WeakPolarHBondContact O-CA 3.39Å; L679-P697 VanDerWaalsContact O-CB 3.3Å; L679-P697 WeakPolarHBondContact O-CB 3.45Å; L679-A698 PolarHBondContact N-O 3.02Å; L679-A698 PolarHBondContact O-N 3.11Å; L679-Q700 HydrophobicContact CD1-CB 3.76Å; L679-Q700 HydrophobicContact CG-CB 4.13Å
680G87.6Confident84.9Confident62 Ų6263 Ų6364%0.63934%0.335SS*.SBendtrans128.3-161.5-179.500000111.8
681S87.9Confident84.5Confident49 Ų4964.6 Ų64.634%0.34335%0.348SS..  trans-78.9128.3174.2-59.20000110.5I683 L684 P697S681-I683 VanDerWaalsContact C-N 3.28Å; S681-L684 WeakPolarHBondContact O-CD1 3.3Å; S681-P697 WeakPolarHBondContact O-CG 3.34Å
682D86.8Confident84.5Confident90 Ų9061.9 Ų61.948%0.48133%0.334SS..SBendtrans-69.4-28.1171.264.4-31.8000112.4T669 Y670 L678T669-D682 CarbonylContact C-O 3.57Å; T669-D682 WeakPolarHBondContact CA-O 3.32Å; Y670-D682 PolarHBondContact N-O 3.4Å; L678-D682 HydrophobicContact CD2-CB 3.66Å
683I89.9Confident84.4Confident78 Ų7863.3 Ų63.340%0.434%0.344SS..EExtended strand (participates in β ladder)trans-120.8123.4-179.8-64.9167.1000110.5V667 L668 T669 S681 T685V667-I683 HydrophobicContact CG1-CG2 3.5Å; L668-I683 WeakPolarHBondContact O-CA 3.37Å; T669-I683 HydrophobicContact CG2-CG1 4.47Å; S681-I683 VanDerWaalsContact C-N 3.28Å; I683-T685 HydrophobicContact CG2-CG2 4.31Å
684L89Confident84.4Confident0 Ų060.9 Ų60.90%034%0.338CS..EExtended strand (participates in β ladder)trans-114.4137.6172-86.167.7000109.4L647 V667 L668 Y670 S681 W692 A694L647-L684 HydrophobicContact CD1-CD2 3.52Å; V667-L684 WeakPolarHBondContact CA-O 3.39Å; L668-L684 HydrophobicContact CB-CB 4.31Å; L668-L684 PolarHBondContact N-O 2.8Å; L668-L684 PolarHBondContact O-N 2.03Å; Y670-L684 HydrophobicContact CD2-CD1 4.14Å; Y670-L684 HydrophobicContact CE2-CB 4.37Å; Y670-L684 HydrophobicContact CE2-CD1 4.03Å; Y670-L684 HydrophobicContact CE2-CD2 4.07Å; Y670-L684 HydrophobicContact CE2-CG 4.39Å; S681-L684 WeakPolarHBondContact O-CD1 3.3Å; L684-W692 HydrophobicContact CB-CE3 4.02Å; L684-W692 HydrophobicContact CD2-CB 4.39Å; L684-A694 HydrophobicContact CD1-CB 4.38Å; L684-A694 VanDerWaalsContact CD2-O 3.32Å; L684-A694 WeakPolarHBondContact CD2-O 3.27Å; L684-A694 HydrophobicContact CG-CB 4.24Å
685T87.6Confident84.6Confident53 Ų5359.4 Ų59.433%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-120.1140.1178.761.30000111.9T666 V667 I683 Q687 W692 S693T666-T685 WeakPolarHBondContact O-CA 3.34Å; V667-T685 HydrophobicContact CG1-CG2 4.32Å; V667-T685 HydrophobicContact CG2-CG2 4.2Å; I683-T685 HydrophobicContact CG2-CG2 4.31Å; T685-Q687 PolarHBondContact O-N 3.24Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; T685-S693 PolarHBondContact N-OG 2.83Å; T685-S693 PolarHBondContact O-N 3.16Å; T685-S693 WeakPolarHBondContact OG1-CB 3.24Å
686C85.5Confident85.1Confident5 Ų562.2 Ų62.23%0.03435%0.352CS..BIsolated β-bridgetrans-78.7113.7176.3177.90000109.8C644 G665 T666 W692C644-C686 HydrophobicContact CB-CB 3.85Å; C644-C686 WeakPolarHBondContact CB-SG 3.31Å; C644-C686 WeakPolarHBondContact SG-CA 3.37Å; C644-C686 WeakPolarHBondContact SG-CB 3.44Å; C644-C686 CovalentContact SG-SG 2.03Å; C644-C686 PolarHBondContact SG-SG 2.95Å; G665-C686 PolarHBondContact N-O 2.99Å; T666-C686 PolarHBondContact O-N 2.79Å; C686-W692 HydrophobicContact CB-CE3 4.21Å; C686-W692 HydrophobicContact CB-CH2 3.94Å; C686-W692 HydrophobicContact CB-CZ3 3.77Å
687Q79.8Confident85.4Confident69 Ų6960.2 Ų60.232%0.32235%0.346SS..  trans-85.3172.3-170.9-62.6-169.7111.400112.8T685 D689 L690 S691T685-Q687 PolarHBondContact O-N 3.24Å; Q687-D689 VanDerWaalsContact C-N 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.32Å; Q687-D689 PolarHBondContact O-N 2.86Å; Q687-L690 PolarHBondContact O-N 2.93Å; Q687-L690 VanDerWaalsContact O-N 3.1Å; Q687-S691 WeakPolarHBondContact CB-O 3.39Å; Q687-S691 PolarHBondContact N-O 3.14Å; Q687-S691 PolarHBondContact NE2-OG 3.34Å
688W68Low85.6Confident206 Ų20658.8 Ų58.878%0.7835%0.349SS*.THydrogen-bonded Turntrans-68.6-25.7-175.442-93.5000113.7R664 L690R664-W688 PolarHBondContact NE-O 2.85Å; R664-W688 PolarHBondContact NH2-O 3.16Å; W688-L690 VanDerWaalsContact C-N 3.28Å
689D76.9Confident85.7Confident84 Ų8457.3 Ų57.345%0.44934%0.342SS..THydrogen-bonded Turntrans-80-1.7172.166.9-21.8000113.9Q687 S691Q687-D689 VanDerWaalsContact C-N 3.29Å; Q687-D689 WeakPolarHBondContact CB-OD1 3.32Å; Q687-D689 PolarHBondContact O-N 2.86Å; D689-S691 VanDerWaalsContact C-N 3.33Å; D689-S691 PolarHBondContact OD1-N 3.15Å; D689-S691 PolarHBondContact OD1-OG 3.33Å; D689-S691 VanDerWaalsContact OD2-CB 3.29Å; D689-S691 WeakPolarHBondContact OD2-CB 3.29Å; D689-S691 PolarHBondContact OD2-OG 2.95Å
690L74.3Confident85.6Confident40 Ų4058.3 Ų58.321%0.20935%0.345CS..SBendtrans69.421.1-172.4-49.1177.2000114.9N641 D642 C644 P645 R664 Q687 W688N641-L690 WeakPolarHBondContact O-CD1 3.2Å; D642-L690 WeakPolarHBondContact O-CD2 3.3Å; C644-L690 PolarHBondContact SG-O 2.73Å; C644-L690 VanDerWaalsContact SG-O 3.4Å; P645-L690 WeakPolarHBondContact CD-O 3.37Å; R664-L690 HydrophobicContact CG-CD2 3.58Å; Q687-L690 PolarHBondContact O-N 2.93Å; Q687-L690 VanDerWaalsContact O-N 3.1Å; W688-L690 VanDerWaalsContact C-N 3.28Å
691S83.6Confident85.5Confident40 Ų4059.4 Ų59.428%0.2833%0.332SS..  trans-94.1165.2166.775.30000112.4C644 Q687 D689C644-S691 PolarHBondContact SG-O 3.36Å; C644-S691 VanDerWaalsContact SG-O 3.38Å; Q687-S691 WeakPolarHBondContact CB-O 3.39Å; Q687-S691 PolarHBondContact N-O 3.14Å; Q687-S691 PolarHBondContact NE2-OG 3.34Å; D689-S691 VanDerWaalsContact C-N 3.33Å; D689-S691 PolarHBondContact OD1-N 3.15Å; D689-S691 PolarHBondContact OD1-OG 3.33Å; D689-S691 VanDerWaalsContact OD2-CB 3.29Å; D689-S691 WeakPolarHBondContact OD2-CB 3.29Å; D689-S691 PolarHBondContact OD2-OG 2.95Å
692W87.9Confident85.4Confident27 Ų2758.5 Ų58.510%0.10232%0.323CS..BIsolated β-bridgetrans-88.8144.1168.1-68.8103.1000110.9C644 P645 L647 L662 L668 L684 T685 C686 A694C644-W692 HydrophobicContact CB-CD2 4.22Å; C644-W692 HydrophobicContact CB-CH2 4.28Å; C644-W692 HydrophobicContact CB-CZ2 3.57Å; P645-W692 PolarHBondContact O-NE1 2.6Å; L647-W692 HydrophobicContact CD1-CB 4.43Å; L647-W692 HydrophobicContact CD1-CD2 4.02Å; L647-W692 HydrophobicContact CD1-CG 3.76Å; L647-W692 HydrophobicContact CG-CG 4.42Å; L662-W692 HydrophobicContact CB-CZ2 4.29Å; L662-W692 HydrophobicContact CD1-CZ2 4.37Å; L662-W692 HydrophobicContact CD2-CH2 4.31Å; L662-W692 HydrophobicContact CD2-CZ2 4.41Å; L668-W692 HydrophobicContact CB-CZ3 4.38Å; L668-W692 HydrophobicContact CD1-CD2 4.49Å; L668-W692 HydrophobicContact CD1-CE3 4.27Å; L668-W692 HydrophobicContact CD1-CH2 3.45Å; L668-W692 VanDerWaalsContact CD1-CH2 3.45Å; L668-W692 HydrophobicContact CD1-CZ2 3.67Å; L668-W692 HydrophobicContact CD1-CZ3 3.77Å; L668-W692 HydrophobicContact CG-CH2 3.58Å; L668-W692 HydrophobicContact CG-CZ2 4.29Å; L668-W692 HydrophobicContact CG-CZ3 3.75Å; L684-W692 HydrophobicContact CB-CE3 4.02Å; L684-W692 HydrophobicContact CD2-CB 4.39Å; T685-W692 VanDerWaalsContact C-CE3 3.43Å; C686-W692 HydrophobicContact CB-CE3 4.21Å; C686-W692 HydrophobicContact CB-CH2 3.94Å; C686-W692 HydrophobicContact CB-CZ3 3.77Å; W692-A694 PolarHBondContact O-N 2.9Å; W692-A694 VanDerWaalsContact O-N 3.09Å
693S88.7Confident85.2Confident52 Ų5259.1 Ų59.136%0.36432%0.324SS..SBendtrans-60.2-18.2179.564.10000115.4T685T685-S693 PolarHBondContact N-OG 2.83Å; T685-S693 PolarHBondContact O-N 3.16Å; T685-S693 WeakPolarHBondContact OG1-CB 3.24Å
694A87.1Confident85Confident32 Ų3258.5 Ų58.526%0.26432%0.324SS..SBendtrans-154.9167.6176.800000110.6L684 W692L684-A694 HydrophobicContact CD1-CB 4.38Å; L684-A694 VanDerWaalsContact CD2-O 3.32Å; L684-A694 WeakPolarHBondContact CD2-O 3.27Å; L684-A694 HydrophobicContact CG-CB 4.24Å; W692-A694 PolarHBondContact O-N 2.9Å; W692-A694 VanDerWaalsContact O-N 3.09Å
695A87.1Confident84.9Confident79 Ų7958.8 Ų58.865%0.65333%0.326SS*.PPolyproline II helixtrans-68.9152.7166.600000111
696P87.6Confident84.8Confident65 Ų6560.4 Ų60.442%0.42235%0.345SS..PPolyproline II helixtrans-61.5138.6177.225.1-34.1000111.5L647L647-P696 HydrophobicContact CD1-CB 4.36Å; L647-P696 HydrophobicContact CD2-CG 4.36Å
697P91.3Very high84.9Confident10 Ų1064.2 Ų64.27%0.06537%0.365CS..PPolyproline II helixtrans-77163.5178.933.9-38.1000112.5Y670 L678 L679 S681Y670-P697 HydrophobicContact CD1-CG 3.73Å; Y670-P697 HydrophobicContact CD2-CG 3.93Å; Y670-P697 HydrophobicContact CE1-CG 4.4Å; Y670-P697 HydrophobicContact CG-CG 3.47Å; Y670-P697 VanDerWaalsContact CG-CG 3.47Å; L678-P697 HydrophobicContact CD1-CB 3.77Å; L678-P697 HydrophobicContact CD1-CG 3.77Å; L678-P697 HydrophobicContact CD2-CB 4.06Å; L678-P697 HydrophobicContact CD2-CG 4.29Å; L678-P697 HydrophobicContact CG-CB 3.84Å; L678-P697 HydrophobicContact CG-CG 4.27Å; L679-P697 VanDerWaalsContact O-CA 3.27Å; L679-P697 WeakPolarHBondContact O-CA 3.39Å; L679-P697 VanDerWaalsContact O-CB 3.3Å; L679-P697 WeakPolarHBondContact O-CB 3.45Å; S681-P697 WeakPolarHBondContact O-CG 3.34Å
698A91Very high85.1Confident58 Ų5861.8 Ų61.848%0.47936%0.355SS..EExtended strand (participates in β ladder)trans-120.3148.8175.200000111.5L679L679-A698 PolarHBondContact N-O 3.02Å; L679-A698 PolarHBondContact O-N 3.11Å
699C92.3Very high85.9Confident19 Ų1953 Ų5313%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-97.6116.1177.3-65.50000110.9E651 C672 Y676 E677E651-C699 WeakPolarHBondContact O-CB 3.34Å; C672-C699 WeakPolarHBondContact CA-SG 3.38Å; C672-C699 HydrophobicContact CB-CB 3.8Å; C672-C699 WeakPolarHBondContact CB-SG 3.37Å; C672-C699 VanDerWaalsContact SG-CA 3.57Å; C672-C699 WeakPolarHBondContact SG-CB 3.37Å; C672-C699 CovalentContact SG-SG 2.04Å; C672-C699 PolarHBondContact SG-SG 2.82Å; Y676-C699 HydrophobicContact CD1-CB 4.27Å; E677-C699 CarbonylContact O-C 3.59Å; E677-C699 WeakPolarHBondContact O-CA 3.21Å
700Q88.4Confident86.4Confident107 Ų10756.1 Ų56.150%0.534%0.34SS..EExtended strand (participates in β ladder)trans-99.2138.5175.2-176.3168.131.800110.9Y676 E677 L679 I702Y676-Q700 CarbonylContact C-O 3.48Å; Y676-Q700 WeakPolarHBondContact CA-O 3.43Å; E677-Q700 PolarHBondContact N-O 2.88Å; E677-Q700 PolarHBondContact O-N 2.96Å; L679-Q700 HydrophobicContact CD1-CB 3.76Å; L679-Q700 HydrophobicContact CG-CB 4.13Å; Q700-I702 PolarHBondContact O-N 3.39Å
701K84.4Confident87.1Confident84 Ų8455 Ų5537%0.36534%0.335SS..EExtended strand (participates in β ladder)trans-67.3128.6176.2-172.9165.9-176161.60110.9Y676 M703Y676-K701 HydrophobicContact CD1-CB 4.01Å; Y676-K701 HydrophobicContact CE1-CB 3.79Å; Y676-K701 HydrophobicContact CE1-CG 4.49Å; K701-M703 HydrophobicContact CD-SD 4.3Å; K701-M703 HydrophobicContact CG-SD 4.14Å; K701-M703 PolarHBondContact O-N 2.04Å
702I85.5Confident87.2Confident31 Ų3156.8 Ų56.816%0.15935%0.352CS..PPolyproline II helixtrans-72.8117.4178.7-61.1163.2000108.8G675 E677 Q700 T754 P755G675-I702 WeakPolarHBondContact O-CB 3.17Å; G675-I702 PolarHBondContact O-N 3.33Å; E677-I702 HydrophobicContact CB-CD1 4.01Å; E677-I702 HydrophobicContact CB-CG1 3.79Å; E677-I702 HydrophobicContact CG-CG1 3.84Å; Q700-I702 PolarHBondContact O-N 3.39Å; I702-T754 HydrophobicContact CD1-CG2 3.7Å; I702-P755 VanDerWaalsContact O-CD 3.24Å; I702-P755 WeakPolarHBondContact O-CD 3.01Å; I702-P755 WeakPolarHBondContact O-CG 3.33Å
703M82.8Confident87.1Confident102 Ų10258.9 Ų58.950%0.50237%0.365SS..  trans-112.612.4-175.9-65.7-60.7-66.200113.8K701 P724 V725K701-M703 HydrophobicContact CD-SD 4.3Å; K701-M703 HydrophobicContact CG-SD 4.14Å; K701-M703 PolarHBondContact O-N 2.04Å; M703-P724 WeakPolarHBondContact O-CA 3.38Å; M703-V725 PolarHBondContact O-N 2.76Å
704T86.9Confident87Confident66 Ų6657.4 Ų57.441%0.40536%0.358SS..BIsolated β-bridgetrans-123.9153.7-179.553.20000111.5G722 F723T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.44Å; T704-F723 CarbonylContact C-O 3.57Å; T704-F723 WeakPolarHBondContact CA-O 3.46Å
705C86.5Confident87.1Confident6 Ų660 Ų604%0.04136%0.364CS..PPolyproline II helixtrans-93.3143.4168-71.40000110.6F723 C747 K756 W757C705-F723 HydrophobicContact CB-CB 4.46Å; C705-F723 PolarHBondContact N-O 3.36Å; C705-F723 WeakPolarHBondContact O-CB 3.06Å; C705-C747 HydrophobicContact CB-CB 3.86Å; C705-C747 WeakPolarHBondContact CB-SG 3.05Å; C705-C747 VanDerWaalsContact SG-CA 3.52Å; C705-C747 WeakPolarHBondContact SG-CB 3.39Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 2.87Å; C705-K756 VanDerWaalsContact SG-C 3.54Å; C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.62Å
706A85.5Confident87.2Confident86 Ų8659.8 Ų59.871%0.71135%0.347SS*.PPolyproline II helixtrans-60.9148.1170.900000111.5P708 W757A706-P708 WeakPolarHBondContact O-CD 3.4Å; A706-W757 PolarHBondContact O-NE1 2.81Å
707D87.5Confident87.3Confident85 Ų8560.3 Ų60.346%0.45535%0.349SS..PPolyproline II helixtrans-56.3120.4-178.2-174.3-2.9000111.3G709 R716 F723D707-G709 PolarHBondContact O-N 3.49Å; D707-G709 PolarHBondContact OD1-N 2.93Å; D707-R716 IonicContact OD1-CZ 2.95Å; D707-R716 IonicContact OD1-NH1 2.9Å; D707-R716 PolarHBondContact OD1-NH1 3.19Å; D707-R716 IonicContact OD2-CZ 3.25Å; D707-R716 IonicContact OD2-NH1 3.55Å; D707-R716 PolarHBondContact OD2-NH1 3.04Å; D707-R716 IonicContact OD2-NH2 3.01Å; D707-F723 HydrophobicContact CB-CD2 4.39Å; D707-F723 HydrophobicContact CB-CE2 3.7Å; D707-F723 HydrophobicContact CB-CZ 4.42Å
708P84.7Confident87.2Confident18 Ų1862.1 Ų62.112%0.11737%0.365CS..  trans-71.5-7.5176.330-34.3000113.4A706 V729 Y731 L745 W757 V761A706-P708 WeakPolarHBondContact O-CD 3.4Å; P708-V729 HydrophobicContact CG-CB 4.42Å; P708-V729 HydrophobicContact CG-CG1 4.46Å; P708-V729 HydrophobicContact CG-CG2 4.06Å; P708-Y731 WeakPolarHBondContact CG-OH 3.45Å; P708-L745 HydrophobicContact CB-CD1 4.05Å; P708-W757 HydrophobicContact CG-CD2 4.37Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; P708-V761 HydrophobicContact CB-CG2 4.21Å; P708-V761 WeakPolarHBondContact O-CG2 3.49Å
709G84.8Confident87Confident23 Ų2361.7 Ų61.724%0.23736%0.358CS..  trans76.9-167.7171.800000114.7D707 R716 Y731D707-G709 PolarHBondContact O-N 3.49Å; D707-G709 PolarHBondContact OD1-N 2.93Å; G709-R716 WeakPolarHBondContact O-CD 3.5Å; G709-Y731 PolarHBondContact O-OH 3.38Å
710E86.3Confident86.7Confident148 Ų14864.3 Ų64.369%0.69237%0.371SS*.  trans-109.9152.6-174.2-71.8179.6-167.500112.4R716E710-R716 HydrophobicContact CG-CG 4.05Å; E710-R716 IonicContact OE1-CZ 2.99Å; E710-R716 VanDerWaalsContact OE1-CZ 3.23Å; E710-R716 IonicContact OE1-NE 3.33Å; E710-R716 PolarHBondContact OE1-NE 3.25Å; E710-R716 IonicContact OE1-NH2 3.67Å; E710-R716 PolarHBondContact OE1-NH2 2.92Å
711I88.6Confident86.1Confident18 Ų1864.5 Ų64.59%0.09239%0.391CS..  trans-109.1134.1-177.864175.6000110.8N713 G714 Y731 V761 P762 C764I711-N713 PolarHBondContact O-N 3.49Å; I711-G714 PolarHBondContact O-N 3.33Å; I711-Y731 HydrophobicContact CB-CD1 4.45Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.84Å; I711-Y731 HydrophobicContact CG1-CE1 4.4Å; I711-Y731 HydrophobicContact CG2-CD1 3.82Å; I711-Y731 HydrophobicContact CG2-CE1 3.78Å; I711-V761 HydrophobicContact CG2-CG1 3.56Å; I711-P762 VanDerWaalsContact CG2-O 3.26Å; I711-P762 WeakPolarHBondContact CG2-O 3.38Å; I711-C764 VanDerWaalsContact CD1-SG 3.58Å
712A85.8Confident85.7Confident77 Ų7762.6 Ų62.664%0.63640%0.395SS*.THydrogen-bonded Turntrans-60.6138.417200000110.3G714 C764A712-G714 VanDerWaalsContact C-N 3.26Å; A712-G714 PolarHBondContact O-N 3.28Å; A712-C764 WeakPolarHBondContact O-CB 3.48Å
713N87.1Confident85.8Confident70 Ų7062.2 Ų62.237%0.37439%0.392SS..THydrogen-bonded Turntrans58.730.2-179-51.2-51000115.1I711 L734 Y737 C764I711-N713 PolarHBondContact O-N 3.49Å; N713-L734 WeakPolarHBondContact O-CB 3.35Å; N713-L734 WeakPolarHBondContact O-CG 3.4Å; N713-L734 PolarHBondContact O-N 3.11Å; N713-Y737 HydrophobicContact CB-CD1 3.65Å; N713-Y737 HydrophobicContact CB-CD2 4.07Å; N713-Y737 HydrophobicContact CB-CE1 3.52Å; N713-Y737 HydrophobicContact CB-CE2 3.98Å; N713-Y737 HydrophobicContact CB-CG 3.94Å; N713-Y737 VanDerWaalsContact CG-CE1 3.45Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.43Å; N713-C764 HydrophobicContact CB-CB 4.16Å; N713-C764 PolarHBondContact O-SG 3.09Å
714G87.1Confident86Confident21 Ų2160 Ų6022%0.21639%0.385CS..EExtended strand (participates in β ladder)trans-149-175.4170.600000112.8I711 A712 R732I711-G714 PolarHBondContact O-N 3.33Å; A712-G714 VanDerWaalsContact C-N 3.26Å; A712-G714 PolarHBondContact O-N 3.28Å; G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.46Å
715H88.5Confident85.9Confident87 Ų8759.1 Ų59.140%0.40338%0.38SS..EExtended strand (participates in β ladder)trans-129152.8170.459.7-78.3000110.5R732H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.42Å; H715-R732 PolarHBondContact N-O 2.6Å; H715-R732 PolarHBondContact ND1-O 2.76Å; H715-R732 PolarHBondContact O-N 2.91Å
716R89.3Confident85.8Confident75 Ų7561.4 Ų61.428%0.28340%0.404SS..EExtended strand (participates in β ladder)trans-106.4156.6173.166.8174.4171.9172-7.1111.3D707 G709 E710 V729 Q730 Y731D707-R716 IonicContact OD1-CZ 2.95Å; D707-R716 IonicContact OD1-NH1 2.9Å; D707-R716 PolarHBondContact OD1-NH1 3.19Å; D707-R716 IonicContact OD2-CZ 3.25Å; D707-R716 IonicContact OD2-NH1 3.55Å; D707-R716 PolarHBondContact OD2-NH1 3.04Å; D707-R716 IonicContact OD2-NH2 3.01Å; G709-R716 WeakPolarHBondContact O-CD 3.5Å; E710-R716 HydrophobicContact CG-CG 4.05Å; E710-R716 IonicContact OE1-CZ 2.99Å; E710-R716 VanDerWaalsContact OE1-CZ 3.23Å; E710-R716 IonicContact OE1-NE 3.33Å; E710-R716 PolarHBondContact OE1-NE 3.25Å; E710-R716 IonicContact OE1-NH2 3.67Å; E710-R716 PolarHBondContact OE1-NH2 2.92Å; R716-V729 HydrophobicContact CB-CG1 4.26Å; R716-Q730 CarbonylContact C-O 3.54Å; R716-Q730 VanDerWaalsContact CA-O 3.32Å; R716-Q730 WeakPolarHBondContact CA-O 3.37Å; R716-Y731 HydrophobicContact CB-CD1 3.88Å; R716-Y731 HydrophobicContact CB-CE1 3.65Å
717T89.8Confident86Confident76 Ų7657.4 Ų57.447%0.46637%0.371SS..EExtended strand (participates in β ladder)trans-145.1112.9170.6-52.30000108Q730T717-Q730 PolarHBondContact N-O 3.47Å; T717-Q730 PolarHBondContact O-N 3.13Å
718A88.1Confident86.1Confident48 Ų4857.5 Ų57.540%0.39737%0.369SS..EExtended strand (participates in β ladder)trans-95.1151.2178.800000111F723 V729A718-F723 HydrophobicContact CB-CE1 3.83Å; A718-V729 HydrophobicContact CB-CG2 4.11Å
719S87.4Confident86.4Confident49 Ų4956.7 Ų56.734%0.34336%0.363SS..SBendtrans-72-41170.9570000112.5S727 H728S719-S727 WeakPolarHBondContact OG-CA 3.41Å; S719-H728 PolarHBondContact N-O 3.09Å; S719-H728 PolarHBondContact OG-N 3.47Å; S719-H728 PolarHBondContact OG-O 3.38Å
720D85.3Confident86.7Confident74 Ų7458.8 Ų58.840%0.39637%0.367SS..  trans-137.5145.8-169.7-48.6-84.8000111.2G722 S727D720-G722 VanDerWaalsContact C-N 3.3Å; D720-G722 PolarHBondContact O-N 3.47Å; D720-S727 WeakPolarHBondContact CB-OG 3.46Å; D720-S727 VanDerWaalsContact CG-OG 3.28Å; D720-S727 WeakPolarHBondContact OD2-CB 3.24Å; D720-S727 PolarHBondContact OD2-OG 3.47Å
721A76.1Confident87Confident111 Ų11151.9 Ų51.992%0.91733%0.334SS*.THydrogen-bonded Turntrans-77-8.7-173.900000115.4
722G75.6Confident87.1Confident43 Ų4357.2 Ų57.244%0.44335%0.353SS..THydrogen-bonded Turntrans-124.77.9-177.200000115.1T704 D720T704-G722 VanDerWaalsContact CG2-O 3.25Å; T704-G722 WeakPolarHBondContact CG2-O 3.44Å; D720-G722 VanDerWaalsContact C-N 3.3Å; D720-G722 PolarHBondContact O-N 3.47Å
723F88.4Confident87.2Confident23 Ų2354.9 Ų54.910%0.10133%0.332CS..  trans43.747.9179.3-45.7-67.1000117T704 C705 D707 A718 V729 W757T704-F723 CarbonylContact C-O 3.57Å; T704-F723 WeakPolarHBondContact CA-O 3.46Å; C705-F723 HydrophobicContact CB-CB 4.46Å; C705-F723 PolarHBondContact N-O 3.36Å; C705-F723 WeakPolarHBondContact O-CB 3.06Å; D707-F723 HydrophobicContact CB-CD2 4.39Å; D707-F723 HydrophobicContact CB-CE2 3.7Å; D707-F723 HydrophobicContact CB-CZ 4.42Å; A718-F723 HydrophobicContact CB-CE1 3.83Å; F723-V729 HydrophobicContact CD1-CG2 3.96Å; F723-V729 HydrophobicContact CE1-CG2 3.67Å; F723-W757 HydrophobicContact CB-CH2 4.01Å; F723-W757 HydrophobicContact CB-CZ2 3.81Å; F723-W757 AromaticContact CD1-CH2 3.75Å; F723-W757 HydrophobicContact CD1-CH2 3.75Å; F723-W757 AromaticContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CG-CH2 4.13Å; F723-W757 AromaticContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CG-CZ2 3.85Å
724P86.8Confident87.2Confident55 Ų5555.5 Ų55.536%0.35734%0.335SS..BIsolated β-bridgetrans-57.6162169.426.4-35.6000112.7M703 G726 S727M703-P724 WeakPolarHBondContact O-CA 3.38Å; P724-G726 PolarHBondContact O-N 3.48Å; P724-S727 WeakPolarHBondContact CD-OG 3.5Å; P724-S727 WeakPolarHBondContact CG-OG 3.48Å; P724-S727 VanDerWaalsContact O-CB 3.24Å; P724-S727 WeakPolarHBondContact O-CB 3.48Å; P724-S727 PolarHBondContact O-N 3.48Å; P724-S727 PolarHBondContact O-OG 3.08Å
725V85.4Confident87Confident49 Ų4960.6 Ų60.630%0.29736%0.364SS..THydrogen-bonded Turntrans-52.7126.3170.8171.70000110.2M703 P755M703-V725 PolarHBondContact O-N 2.76Å; V725-P755 HydrophobicContact CG2-CB 3.97Å; V725-P755 HydrophobicContact CG2-CG 4.01Å
726G84.1Confident86.2Confident54 Ų5458.9 Ų58.956%0.55737%0.371SS*.THydrogen-bonded Turntrans101.6-20-172.500000115P724 C747P724-G726 PolarHBondContact O-N 3.48Å; G726-C747 PolarHBondContact N-O 2.77Å
727S88.6Confident85.9Confident2 Ų258.5 Ų58.51%0.01437%0.37CS..  trans-64.3153.2175.4-66.70000112.8S719 D720 P724 C747S719-S727 WeakPolarHBondContact OG-CA 3.41Å; D720-S727 WeakPolarHBondContact CB-OG 3.46Å; D720-S727 VanDerWaalsContact CG-OG 3.28Å; D720-S727 WeakPolarHBondContact OD2-CB 3.24Å; D720-S727 PolarHBondContact OD2-OG 3.47Å; P724-S727 WeakPolarHBondContact CD-OG 3.5Å; P724-S727 WeakPolarHBondContact CG-OG 3.48Å; P724-S727 VanDerWaalsContact O-CB 3.24Å; P724-S727 WeakPolarHBondContact O-CB 3.48Å; P724-S727 PolarHBondContact O-N 3.48Å; P724-S727 PolarHBondContact O-OG 3.08Å; S727-C747 PolarHBondContact O-N 2.94Å
728H90.8Very high85.5Confident87 Ų8757 Ų5740%0.40336%0.362SS..EExtended strand (participates in β ladder)trans-135.9142.3-177.655.6-86.9000113S719 M744 L745 T746S719-H728 PolarHBondContact N-O 3.09Å; S719-H728 PolarHBondContact OG-N 3.47Å; S719-H728 PolarHBondContact OG-O 3.38Å; H728-M744 HydrophobicContact CB-CE 3.75Å; H728-M744 HydrophobicContact CB-SD 4.08Å; H728-L745 CarbonylContact C-O 3.59Å; H728-L745 WeakPolarHBondContact CA-O 3.29Å; H728-T746 HydrophobicContact CB-CG2 3.89Å
729V90.9Very high85.4Confident0 Ų057.2 Ų57.20%036%0.356CS..EExtended strand (participates in β ladder)trans-122.7115.5-178.9-174.20000109.5P708 R716 A718 F723 Y731 M744 L745 W757P708-V729 HydrophobicContact CG-CB 4.42Å; P708-V729 HydrophobicContact CG-CG1 4.46Å; P708-V729 HydrophobicContact CG-CG2 4.06Å; R716-V729 HydrophobicContact CB-CG1 4.26Å; A718-V729 HydrophobicContact CB-CG2 4.11Å; F723-V729 HydrophobicContact CD1-CG2 3.96Å; F723-V729 HydrophobicContact CE1-CG2 3.67Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.36Å; V729-Y731 HydrophobicContact CG1-CE1 4.44Å; V729-Y731 HydrophobicContact CG1-CE2 3.69Å; V729-M744 WeakPolarHBondContact O-CE 3.25Å; V729-L745 PolarHBondContact N-O 2.94Å; V729-L745 PolarHBondContact O-N 3.28Å; V729-W757 HydrophobicContact CG2-CH2 3.68Å; V729-W757 HydrophobicContact CG2-CZ2 4.32Å; V729-W757 HydrophobicContact CG2-CZ3 4.02Å
730Q91.7Very high85.4Confident67 Ų6760.4 Ų60.431%0.31337%0.366SS..EExtended strand (participates in β ladder)trans-94.5136.5178.1-162.7172.57800110.8R716 T717 R732 A743 M744R716-Q730 CarbonylContact C-O 3.54Å; R716-Q730 VanDerWaalsContact CA-O 3.32Å; R716-Q730 WeakPolarHBondContact CA-O 3.37Å; T717-Q730 PolarHBondContact N-O 3.47Å; T717-Q730 PolarHBondContact O-N 3.13Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.23Å; Q730-A743 WeakPolarHBondContact CA-O 3.19Å; Q730-A743 WeakPolarHBondContact CG-O 3.35Å; Q730-M744 VanDerWaalsContact CA-CE 3.48Å; Q730-M744 HydrophobicContact CB-CE 3.57Å; Q730-M744 HydrophobicContact CG-CE 4.22Å; Q730-M744 VanDerWaalsContact N-CE 3.26Å
731Y91.6Very high85.4Confident3 Ų359.9 Ų59.91%0.01238%0.378CS..EExtended strand (participates in β ladder)trans-116.3137.5178.9-71.8-78.9000110.6P708 G709 I711 R716 V729 L739 A743 L745 P762P708-Y731 WeakPolarHBondContact CG-OH 3.45Å; G709-Y731 PolarHBondContact O-OH 3.38Å; I711-Y731 HydrophobicContact CB-CD1 4.45Å; I711-Y731 HydrophobicContact CD1-CD1 3.62Å; I711-Y731 HydrophobicContact CD1-CG 4.1Å; I711-Y731 HydrophobicContact CG1-CD1 3.84Å; I711-Y731 HydrophobicContact CG1-CE1 4.4Å; I711-Y731 HydrophobicContact CG2-CD1 3.82Å; I711-Y731 HydrophobicContact CG2-CE1 3.78Å; R716-Y731 HydrophobicContact CB-CD1 3.88Å; R716-Y731 HydrophobicContact CB-CE1 3.65Å; V729-Y731 HydrophobicContact CB-CE2 4.25Å; V729-Y731 HydrophobicContact CG1-CD2 4.36Å; V729-Y731 HydrophobicContact CG1-CE1 4.44Å; V729-Y731 HydrophobicContact CG1-CE2 3.69Å; Y731-L739 WeakPolarHBondContact O-CD1 3.39Å; Y731-A743 PolarHBondContact N-O 2.94Å; Y731-L745 HydrophobicContact CD2-CG 4.47Å; Y731-L745 HydrophobicContact CE2-CD1 3.86Å; Y731-L745 HydrophobicContact CE2-CG 4.07Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.72Å; Y731-P762 HydrophobicContact CE2-CG 4.46Å; Y731-P762 HydrophobicContact CG-CG 3.7Å
732R90.1Very high86Confident130 Ų13055.8 Ų55.849%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-141.2125.6-178.5-63.5179.8-172.7173.32.9110.3G714 H715 Q730G714-R732 CarbonylContact C-O 3.47Å; G714-R732 WeakPolarHBondContact CA-O 3.46Å; H715-R732 VanDerWaalsContact CE1-CB 3.44Å; H715-R732 WeakPolarHBondContact CE1-CB 3.42Å; H715-R732 PolarHBondContact N-O 2.6Å; H715-R732 PolarHBondContact ND1-O 2.76Å; H715-R732 PolarHBondContact O-N 2.91Å; Q730-R732 VanDerWaalsContact OE1-CZ 3.23Å
733C89.3Confident86.5Confident29 Ų2956.1 Ų56.120%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-75.2157.5179.7-61.40000113.1L739 C764C733-L739 VanDerWaalsContact SG-CA 3.56Å; C733-L739 VanDerWaalsContact SG-CB 3.59Å; C733-C764 WeakPolarHBondContact CA-SG 3.36Å; C733-C764 HydrophobicContact CB-CB 3.83Å; C733-C764 WeakPolarHBondContact CB-SG 3.33Å; C733-C764 WeakPolarHBondContact SG-CA 3.46Å; C733-C764 WeakPolarHBondContact SG-CB 3.06Å; C733-C764 CovalentContact SG-SG 2.03Å; C733-C764 PolarHBondContact SG-SG 2.92Å
734L86.5Confident86.7Confident82 Ų8258.1 Ų58.143%0.42935%0.353SS..PPolyproline II helixtrans-71.9157.5170.1-64.6178.1000110.9N713 G736 Y737N713-L734 WeakPolarHBondContact O-CB 3.35Å; N713-L734 WeakPolarHBondContact O-CG 3.4Å; N713-L734 PolarHBondContact O-N 3.11Å; L734-G736 PolarHBondContact O-N 3.44Å; L734-Y737 HydrophobicContact CB-CD2 4.41Å; L734-Y737 WeakPolarHBondContact O-CB 3.05Å; L734-Y737 PolarHBondContact O-N 3.5Å; L734-Y737 VanDerWaalsContact O-N 3.09Å
735P82.1Confident86.9Confident128 Ų12855.5 Ų55.583%0.83134%0.336SS*.THydrogen-bonded Turntrans-52.9136.2177.2-2735.8000112.9
736G72.9Confident87.1Confident52 Ų5254.7 Ų54.754%0.53633%0.331SS..THydrogen-bonded Turntrans91.4-12.9-174.400000114.9L734 K767L734-G736 PolarHBondContact O-N 3.44Å; G736-K767 PolarHBondContact O-N 3.46Å
737Y82.3Confident87.4Confident67 Ų6752.1 Ų52.126%0.26331%0.305SS..EExtended strand (participates in β ladder)trans-109.7141.1177.8-63.8-103.2000111.5N713 L734 C764 A765 L766N713-Y737 HydrophobicContact CB-CD1 3.65Å; N713-Y737 HydrophobicContact CB-CD2 4.07Å; N713-Y737 HydrophobicContact CB-CE1 3.52Å; N713-Y737 HydrophobicContact CB-CE2 3.98Å; N713-Y737 HydrophobicContact CB-CG 3.94Å; N713-Y737 VanDerWaalsContact CG-CE1 3.45Å; N713-Y737 VanDerWaalsContact CG-CZ 3.46Å; N713-Y737 WeakPolarHBondContact ND2-CE1 3.43Å; L734-Y737 HydrophobicContact CB-CD2 4.41Å; L734-Y737 WeakPolarHBondContact O-CB 3.05Å; L734-Y737 PolarHBondContact O-N 3.5Å; L734-Y737 VanDerWaalsContact O-N 3.09Å; Y737-C764 HydrophobicContact CD1-CB 4.25Å; Y737-C764 WeakPolarHBondContact CD1-O 3.45Å; Y737-C764 HydrophobicContact CG-CB 4.44Å; Y737-A765 CarbonylContact C-O 3.58Å; Y737-A765 VanDerWaalsContact CA-O 3.24Å; Y737-A765 WeakPolarHBondContact CA-O 3.47Å; Y737-L766 HydrophobicContact CD1-CD2 4.32Å; Y737-L766 HydrophobicContact CD1-CG 4.03Å; Y737-L766 HydrophobicContact CE1-CD1 4.3Å; Y737-L766 HydrophobicContact CE1-CD2 3.89Å; Y737-L766 HydrophobicContact CE1-CG 3.53Å; Y737-L766 HydrophobicContact CE2-CD2 4.11Å
738S82Confident87.3Confident45 Ų4558.6 Ų58.632%0.31533%0.33SS..EExtended strand (participates in β ladder)trans-106.3144.3171.345.40000111.4A765S738-A765 PolarHBondContact N-O 2.61Å; S738-A765 PolarHBondContact O-N 2.68Å
739L86.1Confident86.9Confident52 Ų5258 Ų5827%0.27234%0.335SS..EExtended strand (participates in β ladder)trans-82.9124.4-179.2-167.6145.6000110.9Y731 C733 G741 A743 P762 K763Y731-L739 WeakPolarHBondContact O-CD1 3.39Å; C733-L739 VanDerWaalsContact SG-CA 3.56Å; C733-L739 VanDerWaalsContact SG-CB 3.59Å; L739-G741 VanDerWaalsContact CD2-O 3.24Å; L739-G741 WeakPolarHBondContact CD2-O 3.22Å; L739-A743 HydrophobicContact CD1-CB 4.31Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; L739-P762 HydrophobicContact CD1-CB 4.29Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.71Å; L739-P762 HydrophobicContact CD2-CG 4.41Å; L739-P762 HydrophobicContact CG-CB 3.97Å; L739-P762 HydrophobicContact CG-CG 4.49Å; L739-K763 CarbonylContact C-O 3.59Å; L739-K763 WeakPolarHBondContact CA-O 3.21Å
740E87.4Confident86.2Confident116 Ų11663.4 Ų63.454%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-107114.4174.1-63-176.6160.700109.1P762 K763 A765E740-P762 CarbonylContact O-C 3.52Å; E740-P762 WeakPolarHBondContact O-CA 3.41Å; E740-P762 WeakPolarHBondContact O-CB 3.46Å; E740-K763 PolarHBondContact N-O 2.87Å; E740-K763 PolarHBondContact O-N 2.96Å; E740-A765 VanDerWaalsContact CD-CB 3.46Å; E740-A765 HydrophobicContact CG-CB 4.03Å; E740-A765 WeakPolarHBondContact OE1-CB 3.11Å
741G85.6Confident85.1Confident63 Ų6367.3 Ų67.365%0.64938%0.379SS*.SBendtrans115.2-164.8-176.100000113.1L739 A743L739-G741 VanDerWaalsContact CD2-O 3.24Å; L739-G741 WeakPolarHBondContact CD2-O 3.22Å; G741-A743 PolarHBondContact O-N 2.86Å
742A87.8Confident83.6Confident24 Ų2472.6 Ų72.620%0.19841%0.411CS..  trans-75.4122.9178.500000111.3M744 L745 D759 P762A742-M744 PolarHBondContact O-N 3.04Å; A742-L745 HydrophobicContact CB-CD2 4.05Å; A742-D759 HydrophobicContact CB-CB 3.92Å; A742-P762 WeakPolarHBondContact O-CG 3.41Å
743A87.3Confident82.6Confident50 Ų5066.8 Ų66.841%0.41339%0.392SS..SBendtrans-71.5-9.7175.100000113.8Q730 Y731 L739 G741Q730-A743 WeakPolarHBondContact CA-O 3.19Å; Q730-A743 WeakPolarHBondContact CG-O 3.35Å; Y731-A743 PolarHBondContact N-O 2.94Å; L739-A743 HydrophobicContact CD1-CB 4.31Å; L739-A743 HydrophobicContact CD2-CB 4.13Å; G741-A743 PolarHBondContact O-N 2.86Å
744M90.8Very high82.1Confident65 Ų6568.6 Ų68.632%0.3240%0.402SS..EExtended strand (participates in β ladder)trans-141.1119.4-175.7176.195.3-71.500108.2H728 V729 Q730 A742H728-M744 HydrophobicContact CB-CE 3.75Å; H728-M744 HydrophobicContact CB-SD 4.08Å; V729-M744 WeakPolarHBondContact O-CE 3.25Å; Q730-M744 VanDerWaalsContact CA-CE 3.48Å; Q730-M744 HydrophobicContact CB-CE 3.57Å; Q730-M744 HydrophobicContact CG-CE 4.22Å; Q730-M744 VanDerWaalsContact N-CE 3.26Å; A742-M744 PolarHBondContact O-N 3.04Å
745L90.9Very high82.1Confident0 Ų065.3 Ų65.30%039%0.386CS..EExtended strand (participates in β ladder)trans-102.5138.6169.1-57.1-173.9000109.7P708 H728 V729 Y731 A742 W757 S758 D759P708-L745 HydrophobicContact CB-CD1 4.05Å; H728-L745 CarbonylContact C-O 3.59Å; H728-L745 WeakPolarHBondContact CA-O 3.29Å; V729-L745 PolarHBondContact N-O 2.94Å; V729-L745 PolarHBondContact O-N 3.28Å; Y731-L745 HydrophobicContact CD2-CG 4.47Å; Y731-L745 HydrophobicContact CE2-CD1 3.86Å; Y731-L745 HydrophobicContact CE2-CG 4.07Å; A742-L745 HydrophobicContact CB-CD2 4.05Å; L745-W757 HydrophobicContact CB-CD2 4.35Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.36Å; L745-S758 WeakPolarHBondContact CA-OG 3.37Å; L745-D759 HydrophobicContact CD2-CB 3.68Å
746T90.4Very high82.3Confident33 Ų3365.9 Ų65.920%0.20238%0.376CS..EExtended strand (participates in β ladder)trans-119.6137.1175.633.70000110.6H728 Y748 W757 S758H728-T746 HydrophobicContact CB-CG2 3.89Å; T746-Y748 WeakPolarHBondContact OG1-CE2 3.17Å; T746-Y748 PolarHBondContact OG1-OH 2.98Å; T746-W757 CarbonylContact O-C 3.53Å; T746-W757 WeakPolarHBondContact O-CA 3.45Å; T746-S758 PolarHBondContact N-OG 2.93Å; T746-S758 VanDerWaalsContact N-OG 3.11Å; T746-S758 PolarHBondContact O-N 2.87Å; T746-S758 WeakPolarHBondContact OG1-CB 3.49Å
747C90.8Very high83.1Confident0 Ų064.8 Ų64.80%036%0.355CS..EExtended strand (participates in β ladder)trans-84.4116.1177.1179.90000109.9C705 G726 S727 W757C705-C747 HydrophobicContact CB-CB 3.86Å; C705-C747 WeakPolarHBondContact CB-SG 3.05Å; C705-C747 VanDerWaalsContact SG-CA 3.52Å; C705-C747 WeakPolarHBondContact SG-CB 3.39Å; C705-C747 CovalentContact SG-SG 2.03Å; C705-C747 PolarHBondContact SG-SG 2.87Å; G726-C747 PolarHBondContact N-O 2.77Å; S727-C747 PolarHBondContact O-N 2.94Å; C747-W757 HydrophobicContact CB-CE3 4.08Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.44Å; C747-W757 HydrophobicContact CB-CZ3 3.73Å
748Y86.8Confident83.4Confident137 Ų13764 Ų6454%0.53736%0.36SS..EExtended strand (participates in β ladder)trans-108.6139.2176.7-67.3-67.6000111.4T746 P755 K756T746-Y748 WeakPolarHBondContact OG1-CE2 3.17Å; T746-Y748 PolarHBondContact OG1-OH 2.98Å; Y748-P755 WeakPolarHBondContact O-CA 3.42Å; Y748-K756 PolarHBondContact N-O 3.39Å; Y748-K756 PolarHBondContact O-N 2.97Å
749S81.8Confident83.7Confident74 Ų7466.2 Ų66.252%0.51737%0.368SS..  trans-65.4153.7164.545.80000110.6
750R77Confident83.8Confident114 Ų11474 Ų7443%0.4339%0.394SS..  trans-127.7145.3166.6-159.9171.475.1-1257.5108.3T752 T754R750-T752 VanDerWaalsContact C-N 3.3Å; R750-T752 PolarHBondContact NE-O 3.1Å; R750-T752 PolarHBondContact NH2-O 2.99Å; R750-T752 PolarHBondContact O-N 3.43Å; R750-T754 PolarHBondContact NH1-O 2.83Å
751D66.9Low83.9Confident149 Ų14971.4 Ų71.480%0.79739%0.386SS*.SBendtrans-69.3-34.2-176.5-50.9-67.1000111.5
752T60.4Low84.1Confident114 Ų11468.7 Ų68.770%0.69936%0.356SS*.SBendtrans-120.497179.447.60000111.7R750R750-T752 VanDerWaalsContact C-N 3.3Å; R750-T752 PolarHBondContact NE-O 3.1Å; R750-T752 PolarHBondContact NH2-O 2.99Å; R750-T752 PolarHBondContact O-N 3.43Å
753G68.7Low84.2Confident9 Ų974.7 Ų74.79%0.09338%0.378CS..SBendtrans106.8-176.8179.500000115.3P674P674-G753 VanDerWaalsContact O-CA 3.24Å; P674-G753 WeakPolarHBondContact O-CA 3.36Å; P674-G753 PolarHBondContact O-N 2.9Å
754T80.3Confident84.3Confident66 Ų6673 Ų7341%0.40536%0.363SS..  trans-64.7148-173.2440000113.9I702 R750I702-T754 HydrophobicContact CD1-CG2 3.7Å; R750-T754 PolarHBondContact NH1-O 2.83Å
755P85.4Confident83.9Confident14 Ų1471.1 Ų71.19%0.09136%0.358CS..  trans-54.5149.6168.2-24.334.7000112.1I702 V725 Y748I702-P755 VanDerWaalsContact O-CD 3.24Å; I702-P755 WeakPolarHBondContact O-CD 3.01Å; I702-P755 WeakPolarHBondContact O-CG 3.33Å; V725-P755 HydrophobicContact CG2-CB 3.97Å; V725-P755 HydrophobicContact CG2-CG 4.01Å; Y748-P755 WeakPolarHBondContact O-CA 3.42Å
756K87.1Confident83.1Confident139 Ų13974.4 Ų74.460%0.60438%0.375SS*.EExtended strand (participates in β ladder)trans-143.1143.9-174.1-165-163165-161.20111.6C705 Y748C705-K756 VanDerWaalsContact SG-C 3.54Å; Y748-K756 PolarHBondContact N-O 3.39Å; Y748-K756 PolarHBondContact O-N 2.97Å
757W90Very high82Confident29 Ų2980 Ų8011%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-59.6142.1165.9-63.3107.9000112.1C705 A706 P708 F723 V729 L745 T746 C747 D759C705-W757 HydrophobicContact CB-CD2 4.21Å; C705-W757 HydrophobicContact CB-CH2 4.39Å; C705-W757 HydrophobicContact CB-CZ2 3.62Å; A706-W757 PolarHBondContact O-NE1 2.81Å; P708-W757 HydrophobicContact CG-CD2 4.37Å; P708-W757 HydrophobicContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CB-CH2 4.01Å; F723-W757 HydrophobicContact CB-CZ2 3.81Å; F723-W757 AromaticContact CD1-CH2 3.75Å; F723-W757 HydrophobicContact CD1-CH2 3.75Å; F723-W757 AromaticContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CD1-CZ2 3.83Å; F723-W757 HydrophobicContact CG-CH2 4.13Å; F723-W757 AromaticContact CG-CZ2 3.85Å; F723-W757 HydrophobicContact CG-CZ2 3.85Å; V729-W757 HydrophobicContact CG2-CH2 3.68Å; V729-W757 HydrophobicContact CG2-CZ2 4.32Å; V729-W757 HydrophobicContact CG2-CZ3 4.02Å; L745-W757 HydrophobicContact CB-CD2 4.35Å; L745-W757 HydrophobicContact CB-CE3 3.72Å; L745-W757 HydrophobicContact CB-CZ3 4.36Å; T746-W757 CarbonylContact O-C 3.53Å; T746-W757 WeakPolarHBondContact O-CA 3.45Å; C747-W757 HydrophobicContact CB-CE3 4.08Å; C747-W757 HydrophobicContact CB-CH2 3.91Å; C747-W757 HydrophobicContact CB-CZ2 4.44Å; C747-W757 HydrophobicContact CB-CZ3 3.73Å; W757-D759 PolarHBondContact O-N 3.36Å
758S88.6Confident81Confident51 Ų5184 Ų8436%0.35741%0.412SS..SBendtrans-48.5-41.4175.358.50000113.6L745 T746L745-S758 WeakPolarHBondContact CA-OG 3.37Å; T746-S758 PolarHBondContact N-OG 2.93Å; T746-S758 VanDerWaalsContact N-OG 3.11Å; T746-S758 PolarHBondContact O-N 2.87Å; T746-S758 WeakPolarHBondContact OG1-CB 3.49Å
759D88.3Confident80.4Confident92 Ų9283 Ų8349%0.49241%0.413SS..SBendtrans-146.5177.8-170.1-140.2-37000111.8A742 L745 W757A742-D759 HydrophobicContact CB-CB 3.92Å; L745-D759 HydrophobicContact CD2-CB 3.68Å; W757-D759 PolarHBondContact O-N 3.36Å
760R88.1Confident80.3Confident215 Ų21581.7 Ų81.781%0.81140%0.402SS*.PPolyproline II helixtrans-80.8151.3174-59.5-172.6-173.1-157.32.3111.2
761V89.2Confident80.5Confident62 Ų6276.4 Ų76.438%0.37638%0.383SS..PPolyproline II helixtrans-54.5125.7175.7-168.20000110.3P708 I711P708-V761 HydrophobicContact CB-CG2 4.21Å; P708-V761 WeakPolarHBondContact O-CG2 3.49Å; I711-V761 HydrophobicContact CG2-CG1 3.56Å
762P89.9Confident81.3Confident5 Ų575.1 Ų75.13%0.03238%0.375CS..PPolyproline II helixtrans-72.8169.9-17731.8-38000112.3I711 Y731 L739 E740 A742I711-P762 VanDerWaalsContact CG2-O 3.26Å; I711-P762 WeakPolarHBondContact CG2-O 3.38Å; Y731-P762 HydrophobicContact CD1-CG 4.45Å; Y731-P762 HydrophobicContact CD2-CG 3.72Å; Y731-P762 HydrophobicContact CE2-CG 4.46Å; Y731-P762 HydrophobicContact CG-CG 3.7Å; L739-P762 HydrophobicContact CD1-CB 4.29Å; L739-P762 HydrophobicContact CD1-CG 4.27Å; L739-P762 HydrophobicContact CD2-CB 3.71Å; L739-P762 HydrophobicContact CD2-CG 4.41Å; L739-P762 HydrophobicContact CG-CB 3.97Å; L739-P762 HydrophobicContact CG-CG 4.49Å; E740-P762 CarbonylContact O-C 3.52Å; E740-P762 WeakPolarHBondContact O-CA 3.41Å; E740-P762 WeakPolarHBondContact O-CB 3.46Å; A742-P762 WeakPolarHBondContact O-CG 3.41Å
763K89.1Confident82.4Confident150 Ų15071.2 Ų71.265%0.65235%0.35SS*.EExtended strand (participates in β ladder)trans-123.4148.4177-64.5-178.7-179179.40111.3L739 E740L739-K763 CarbonylContact C-O 3.59Å; L739-K763 WeakPolarHBondContact CA-O 3.21Å; E740-K763 PolarHBondContact N-O 2.87Å; E740-K763 PolarHBondContact O-N 2.96Å
764C88.9Confident83.1Confident15 Ų1572.9 Ų72.910%0.10136%0.359CS..EExtended strand (participates in β ladder)trans-100.6105.5171-67.90000109.6I711 A712 N713 C733 Y737I711-C764 VanDerWaalsContact CD1-SG 3.58Å; A712-C764 WeakPolarHBondContact O-CB 3.48Å; N713-C764 HydrophobicContact CB-CB 4.16Å; N713-C764 PolarHBondContact O-SG 3.09Å; C733-C764 WeakPolarHBondContact CA-SG 3.36Å; C733-C764 HydrophobicContact CB-CB 3.83Å; C733-C764 WeakPolarHBondContact CB-SG 3.33Å; C733-C764 WeakPolarHBondContact SG-CA 3.46Å; C733-C764 WeakPolarHBondContact SG-CB 3.06Å; C733-C764 CovalentContact SG-SG 2.03Å; C733-C764 PolarHBondContact SG-SG 2.92Å; Y737-C764 HydrophobicContact CD1-CB 4.25Å; Y737-C764 WeakPolarHBondContact CD1-O 3.45Å; Y737-C764 HydrophobicContact CG-CB 4.44Å
765A82.3Confident83.1Confident25 Ų2571.1 Ų71.121%0.20735%0.354CS..EExtended strand (participates in β ladder)trans-94.5144.5178.200000111.2Y737 S738 E740 K767Y737-A765 CarbonylContact C-O 3.58Å; Y737-A765 VanDerWaalsContact CA-O 3.24Å; Y737-A765 WeakPolarHBondContact CA-O 3.47Å; S738-A765 PolarHBondContact N-O 2.61Å; S738-A765 PolarHBondContact O-N 2.68Å; E740-A765 VanDerWaalsContact CD-CB 3.46Å; E740-A765 HydrophobicContact CG-CB 4.03Å; E740-A765 WeakPolarHBondContact OE1-CB 3.11Å; A765-K767 PolarHBondContact O-N 3.28Å
766L75.2Confident82.9Confident70 Ų7074.7 Ų74.737%0.36638%0.376SS..EExtended strand (participates in β ladder)trans-66.7127.3173.2-89.6161.9000110.2Y737 Y768Y737-L766 HydrophobicContact CD1-CD2 4.32Å; Y737-L766 HydrophobicContact CD1-CG 4.03Å; Y737-L766 HydrophobicContact CE1-CD1 4.3Å; Y737-L766 HydrophobicContact CE1-CD2 3.89Å; Y737-L766 HydrophobicContact CE1-CG 3.53Å; Y737-L766 HydrophobicContact CE2-CD2 4.11Å; L766-Y768 HydrophobicContact CB-CE2 4.45Å
767K67.3Low82.7Confident149 Ų14968.9 Ų68.965%0.64835%0.352SS*.  trans-97.3101.8175.6-169.8170.1-178.2175.70110.4G736 A765G736-K767 PolarHBondContact O-N 3.46Å; A765-K767 PolarHBondContact O-N 3.28Å
768Y69.7Low82.2Confident85 Ų8575.4 Ų75.433%0.33338%0.384SS..PPolyproline II helixtrans-69.3145.9174.4-58.6-70.1000111.7L766 A791 P815 H817L766-Y768 HydrophobicContact CB-CE2 4.45Å; Y768-A791 HydrophobicContact CD2-CB 4.07Å; Y768-A791 HydrophobicContact CG-CB 4.15Å; Y768-P815 HydrophobicContact CD1-CB 3.84Å; Y768-P815 HydrophobicContact CD2-CB 4.05Å; Y768-P815 HydrophobicContact CE1-CB 3.64Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 4.04Å; Y768-H817 AromaticContact CD1-NE2 3.98Å
769E74.6Confident81.7Confident117 Ų11776.6 Ų76.655%0.54739%0.386SS..PPolyproline II helixtrans-78.3134.1167.7-65.5-176.3149.300109S819E769-S819 WeakPolarHBondContact O-CB 3.47Å; E769-S819 PolarHBondContact O-OG 3.38Å
770P78.6Confident81.5Confident46 Ų4672.6 Ų72.630%0.29937%0.367SS..PPolyproline II helixtrans-76.3145.9-173.531.6-36.3000112.3L772 H788 Y789P770-L772 PolarHBondContact O-N 3.05Å; P770-H788 HydrophobicContact CB-CB 4.03Å; P770-H788 HydrophobicContact CG-CB 3.97Å; P770-Y789 CarbonylContact C-O 3.58Å; P770-Y789 VanDerWaalsContact CA-O 3.22Å; P770-Y789 WeakPolarHBondContact CA-O 3.39Å; P770-Y789 WeakPolarHBondContact CB-O 3.34Å
771C82.3Confident81.4Confident3 Ų367.4 Ų67.42%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-65.8131.1175.9-59.40000111H788 Y789 C813 S819 W821C771-H788 CarbonylContact O-C 3.52Å; C771-H788 WeakPolarHBondContact O-CA 3.27Å; C771-Y789 PolarHBondContact N-O 3.42Å; C771-Y789 PolarHBondContact O-N 3.04Å; C771-C813 HydrophobicContact CB-CB 3.8Å; C771-C813 WeakPolarHBondContact CB-SG 3.42Å; C771-C813 WeakPolarHBondContact SG-CA 3.36Å; C771-C813 WeakPolarHBondContact SG-CB 3Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 2.84Å; C771-S819 VanDerWaalsContact SG-C 3.54Å; C771-S819 VanDerWaalsContact SG-CB 3.54Å; C771-W821 HydrophobicContact CB-CD2 4.31Å; C771-W821 HydrophobicContact CB-CZ2 3.76Å
772L83.6Confident81.3Confident121 Ų12165.6 Ų65.663%0.63434%0.335SS*.EExtended strand (participates in β ladder)trans-65.4148167.8-74.5163.8000110.6P770 H788 W821P770-L772 PolarHBondContact O-N 3.05Å; L772-H788 WeakPolarHBondContact CD2-NE2 3.34Å; L772-W821 PolarHBondContact O-NE1 2.9Å
773N83.4Confident81Confident32 Ų3268.9 Ų68.917%0.17136%0.355CS..PPolyproline II helixtrans-59.6125.2175-171.9-34.3000111G775 Q782 Y785 K786 H787 Y789N773-G775 VanDerWaalsContact C-N 3.28Å; N773-G775 PolarHBondContact O-N 2.94Å; N773-G775 PolarHBondContact OD1-N 2.89Å; N773-Q782 PolarHBondContact ND2-NE2 2.88Å; N773-Y785 WeakPolarHBondContact ND2-CD2 3.34Å; N773-Y785 WeakPolarHBondContact ND2-CE2 3.45Å; N773-K786 WeakPolarHBondContact CB-O 3.46Å; N773-K786 PolarHBondContact ND2-O 3.34Å; N773-H787 PolarHBondContact N-O 2.8Å; N773-H787 VanDerWaalsContact N-O 3.09Å; N773-Y789 HydrophobicContact CB-CE2 4.02Å
774P83Confident80.7Confident45 Ų4566.6 Ų66.629%0.29235%0.35SS..  trans-79.6-6.2-175.532.5-34.4000114L795 F797 I811 W821P774-L795 HydrophobicContact CG-CD2 4.23Å; P774-F797 HydrophobicContact CG-CZ 4.31Å; P774-I811 HydrophobicContact CG-CD1 3.8Å; P774-W821 HydrophobicContact CG-CZ2 4.5Å
775G79.7Confident80.4Confident29 Ų2973 Ų7330%0.29937%0.373SS..  trans91.4166.3-176.300000113.9N773 F797N773-G775 VanDerWaalsContact C-N 3.28Å; N773-G775 PolarHBondContact O-N 2.94Å; N773-G775 PolarHBondContact OD1-N 2.89Å; G775-F797 WeakPolarHBondContact O-CE1 3.47Å
776V83.1Confident80.3Confident89 Ų8975 Ų7554%0.53938%0.377SS..PPolyproline II helixtrans-93.3144.4174.8-710000111Q782V776-Q782 HydrophobicContact CG1-CB 4.05Å; V776-Q782 HydrophobicContact CG1-CG 3.67Å
777P82.4Confident80.5Confident16 Ų1677.5 Ų77.510%0.10439%0.386CS..PPolyproline II helixtrans-75.5153.5173.932-35.2000112.4G780 F797 P826P777-G780 PolarHBondContact O-N 2.84Å; P777-G780 VanDerWaalsContact O-N 3.11Å; P777-F797 HydrophobicContact CG-CD1 4.32Å; P777-P826 WeakPolarHBondContact CB-O 3.48Å; P777-P826 WeakPolarHBondContact CG-O 3.38Å
778E78.7Confident81.3Confident167 Ų16775.3 Ų75.378%0.7838%0.378SS*.THydrogen-bonded Turntrans-63.6134.1175.7-166.5169.2-155.300110.5G780E778-G780 VanDerWaalsContact C-N 3.27Å; E778-G780 PolarHBondContact O-N 3.01Å
779N79.4Confident82Confident76 Ų7671.4 Ų71.441%0.40636%0.363SS..THydrogen-bonded Turntrans59.728.1-170.1-53.3-56.4000115.4Y800 F803 C828N779-Y800 WeakPolarHBondContact O-CD2 3.26Å; N779-Y800 PolarHBondContact O-N 2.89Å; N779-F803 HydrophobicContact CB-CD1 4.13Å; N779-F803 HydrophobicContact CB-CD2 4.34Å; N779-F803 HydrophobicContact CB-CE1 3.94Å; N779-F803 HydrophobicContact CB-CE2 4.16Å; N779-F803 HydrophobicContact CB-CG 4.34Å; N779-F803 HydrophobicContact CB-CZ 3.95Å; N779-C828 HydrophobicContact CB-CB 4.37Å
780G82.9Confident82.3Confident8 Ų871 Ų718%0.08236%0.361CS..EExtended strand (participates in β ladder)trans-137.6-174.4169.400000114.9P777 E778 F798 Y800P777-G780 PolarHBondContact O-N 2.84Å; P777-G780 VanDerWaalsContact O-N 3.11Å; E778-G780 VanDerWaalsContact C-N 3.27Å; E778-G780 PolarHBondContact O-N 3.01Å; G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.4Å; G780-Y800 WeakPolarHBondContact O-CE2 3.28Å; G780-Y800 PolarHBondContact O-OH 3.26Å
781Y85.6Confident82.2Confident106 Ų10670.3 Ų70.342%0.41636%0.359SS..EExtended strand (participates in β ladder)trans-147.6167.6175.167.1-84.9000111.4F797 F798 Y800Y781-F797 WeakPolarHBondContact O-CA 3.44Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.47Å; Y781-F798 HydrophobicContact CD2-CD2 4.21Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.01Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.37Å; Y781-F798 HydrophobicContact CE2-CG 4.14Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.9Å; Y781-F798 PolarHBondContact N-O 3.09Å; Y781-F798 PolarHBondContact O-N 3.01Å; Y781-Y800 HydrophobicContact CD1-CD1 4.14Å; Y781-Y800 AromaticContact CD1-CE1 3.62Å; Y781-Y800 HydrophobicContact CD1-CE1 3.62Å; Y781-Y800 AromaticContact CD1-CZ 3.99Å; Y781-Y800 HydrophobicContact CE1-CD1 4.39Å; Y781-Y800 HydrophobicContact CE1-CE1 4.19Å
782Q87.6Confident82.1Confident23 Ų2373 Ų7311%0.10739%0.387CS..EExtended strand (participates in β ladder)trans-119.8154.5179.269.5-174.657.200112.4N773 V776 L784 Y789 L795 R796 F797N773-Q782 PolarHBondContact ND2-NE2 2.88Å; V776-Q782 HydrophobicContact CG1-CB 4.05Å; V776-Q782 HydrophobicContact CG1-CG 3.67Å; Q782-L784 WeakPolarHBondContact CG-O 3.43Å; Q782-L784 PolarHBondContact NE2-O 2.96Å; Q782-L784 PolarHBondContact O-N 2.91Å; Q782-Y789 PolarHBondContact NE2-OH 3.5Å; Q782-L795 HydrophobicContact CB-CD1 4.06Å; Q782-L795 HydrophobicContact CG-CD1 4.29Å; Q782-R796 CarbonylContact C-O 3.42Å; Q782-R796 WeakPolarHBondContact CA-O 3.33Å; Q782-F797 HydrophobicContact CB-CD1 3.71Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å
783T84.3Confident82.1Confident75 Ų7570.2 Ų70.246%0.4637%0.371SS..SBendtrans-63-34-175.242.50000115.2R796 F798T783-R796 HydrophobicContact CG2-CB 3.73Å; T783-R796 HydrophobicContact CG2-CG 3.94Å; T783-R796 PolarHBondContact N-O 3.09Å; T783-R796 PolarHBondContact OG1-N 3.35Å; T783-R796 PolarHBondContact OG1-O 2.78Å; T783-F798 HydrophobicContact CG2-CD2 4.47Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.41Å
784L81.4Confident82.3Confident101 Ų10172.1 Ų72.153%0.52939%0.387SS..  trans-150.7148.4-174.1-163.174000109.4Q782 K786 Y789 L795Q782-L784 WeakPolarHBondContact CG-O 3.43Å; Q782-L784 PolarHBondContact NE2-O 2.96Å; Q782-L784 PolarHBondContact O-N 2.91Å; L784-K786 HydrophobicContact CD2-CG 4.3Å; L784-Y789 PolarHBondContact O-OH 3.11Å; L784-L795 WeakPolarHBondContact O-CD1 3.27Å
785Y82.7Confident82.5Confident151 Ų15170 Ų7059%0.59237%0.373SS*.  trans-112.1115.7171.5-173.7-87.6000111N773 H787N773-Y785 WeakPolarHBondContact ND2-CD2 3.34Å; N773-Y785 WeakPolarHBondContact ND2-CE2 3.45Å; Y785-H787 AromaticContact CE1-CE1 3.68Å; Y785-H787 AromaticContact CE1-ND1 3.92Å; Y785-H787 AromaticContact CE1-NE2 3.91Å; Y785-H787 AromaticContact CZ-CE1 3.89Å; Y785-H787 AromaticContact CZ-ND1 3.97Å; Y785-H787 PolarHBondContact OH-CE1 3.2Å; Y785-H787 PolarHBondContact OH-ND1 3.36Å
786K81.2Confident82.9Confident65 Ų6574 Ų7428%0.28338%0.379SS..  trans-119.9157.1159.1-51.9-173.9-172.8-176.30108.9N773 L784 H788 Y789 E793N773-K786 WeakPolarHBondContact CB-O 3.46Å; N773-K786 PolarHBondContact ND2-O 3.34Å; L784-K786 HydrophobicContact CD2-CG 4.3Å; K786-H788 WeakPolarHBondContact CB-O 3.36Å; K786-H788 WeakPolarHBondContact CD-O 3.26Å; K786-Y789 HydrophobicContact CB-CD1 4.37Å; K786-Y789 HydrophobicContact CB-CD2 4.35Å; K786-Y789 HydrophobicContact CB-CE1 3.96Å; K786-Y789 HydrophobicContact CB-CE2 3.96Å; K786-Y789 HydrophobicContact CD-CD1 3.87Å; K786-Y789 HydrophobicContact CD-CE1 3.9Å; K786-Y789 HydrophobicContact CD-CG 4.48Å; K786-Y789 HydrophobicContact CG-CD1 4.29Å; K786-Y789 HydrophobicContact CG-CE1 3.82Å; K786-Y789 PolarHBondContact N-OH 2.86Å; K786-Y789 VanDerWaalsContact N-OH 3.09Å; K786-Y789 WeakPolarHBondContact O-CE2 3.35Å; K786-E793 IonicContact NZ-OE1 2.82Å; K786-E793 PolarHBondContact NZ-OE1 2.81Å; K786-E793 IonicContact NZ-OE2 2.8Å; K786-E793 PolarHBondContact NZ-OE2 3.2Å
787H78.9Confident83.1Confident123 Ų12369.8 Ų69.857%0.56935%0.354SS*.SBendtrans-75.1-33.5166.8-69.8-69.8000112.4N773 Y785N773-H787 PolarHBondContact N-O 2.8Å; N773-H787 VanDerWaalsContact N-O 3.09Å; Y785-H787 AromaticContact CE1-CE1 3.68Å; Y785-H787 AromaticContact CE1-ND1 3.92Å; Y785-H787 AromaticContact CE1-NE2 3.91Å; Y785-H787 AromaticContact CZ-CE1 3.89Å; Y785-H787 AromaticContact CZ-ND1 3.97Å; Y785-H787 PolarHBondContact OH-CE1 3.2Å; Y785-H787 PolarHBondContact OH-ND1 3.36Å
788H84.3Confident83.4Confident103 Ų10372.6 Ų72.648%0.47736%0.364SS..EExtended strand (participates in β ladder)trans-135139.4-176.7-59.399.2000109.7P770 C771 L772 K786P770-H788 HydrophobicContact CB-CB 4.03Å; P770-H788 HydrophobicContact CG-CB 3.97Å; C771-H788 CarbonylContact O-C 3.52Å; C771-H788 WeakPolarHBondContact O-CA 3.27Å; L772-H788 WeakPolarHBondContact CD2-NE2 3.34Å; K786-H788 WeakPolarHBondContact CB-O 3.36Å; K786-H788 WeakPolarHBondContact CD-O 3.26Å
789Y83.5Confident83.8Confident4 Ų465.8 Ų65.82%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-118.8136.5178.2-66.5-94.7000110.1P770 C771 N773 Q782 L784 K786 E793 L795 W821P770-Y789 CarbonylContact C-O 3.58Å; P770-Y789 VanDerWaalsContact CA-O 3.22Å; P770-Y789 WeakPolarHBondContact CA-O 3.39Å; P770-Y789 WeakPolarHBondContact CB-O 3.34Å; C771-Y789 PolarHBondContact N-O 3.42Å; C771-Y789 PolarHBondContact O-N 3.04Å; N773-Y789 HydrophobicContact CB-CE2 4.02Å; Q782-Y789 PolarHBondContact NE2-OH 3.5Å; L784-Y789 PolarHBondContact O-OH 3.11Å; K786-Y789 HydrophobicContact CB-CD1 4.37Å; K786-Y789 HydrophobicContact CB-CD2 4.35Å; K786-Y789 HydrophobicContact CB-CE1 3.96Å; K786-Y789 HydrophobicContact CB-CE2 3.96Å; K786-Y789 HydrophobicContact CD-CD1 3.87Å; K786-Y789 HydrophobicContact CD-CE1 3.9Å; K786-Y789 HydrophobicContact CD-CG 4.48Å; K786-Y789 HydrophobicContact CG-CD1 4.29Å; K786-Y789 HydrophobicContact CG-CE1 3.82Å; K786-Y789 PolarHBondContact N-OH 2.86Å; K786-Y789 VanDerWaalsContact N-OH 3.09Å; K786-Y789 WeakPolarHBondContact O-CE2 3.35Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.49Å; Y789-E793 HydrophobicContact CD1-CB 4.46Å; Y789-L795 HydrophobicContact CE1-CD1 4.31Å; Y789-L795 HydrophobicContact CE2-CD2 4.34Å; Y789-W821 HydrophobicContact CD1-CH2 4.17Å; Y789-W821 AromaticContact CD2-CH2 3.74Å; Y789-W821 HydrophobicContact CD2-CH2 3.74Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.38Å; Y789-W821 HydrophobicContact CE2-CZ2 4.23Å; Y789-W821 AromaticContact CG-CH2 3.6Å; Y789-W821 HydrophobicContact CG-CH2 3.6Å; Y789-W821 AromaticContact CG-CZ2 3.87Å; Y789-W821 HydrophobicContact CG-CZ2 3.87Å
790Q82.1Confident83.9Confident108 Ų10868.2 Ų68.251%0.50534%0.339SS..  trans-74.9154.8179.5-63.1-61.4-20.300111.1G792 E793Q790-G792 PolarHBondContact O-N 2.91Å; Q790-E793 HydrophobicContact CB-CG 4.11Å; Q790-E793 PolarHBondContact N-OE2 3.39Å; Q790-E793 WeakPolarHBondContact O-CB 3.21Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.02Å
791A76.5Confident83.7Confident32 Ų3277.1 Ų77.126%0.26438%0.379SS..THydrogen-bonded Turntrans-58.8128175.200000110.4Y768 P815Y768-A791 HydrophobicContact CD2-CB 4.07Å; Y768-A791 HydrophobicContact CG-CB 4.15Å; A791-P815 HydrophobicContact CB-CB 3.92Å; A791-P815 HydrophobicContact CB-CG 3.96Å
792G80.1Confident83Confident59 Ų5974.9 Ų74.961%0.60839%0.388SS*.THydrogen-bonded Turntrans95.3-12.9-171.300000115.2Q790 C813Q790-G792 PolarHBondContact O-N 2.91Å; G792-C813 PolarHBondContact N-O 2.66Å
793E84.4Confident82.7Confident62 Ų6277 Ų7729%0.2940%0.397SS..  trans-74.3148175.6-63.7-162.5121.800112.3K786 Y789 Q790 T812 C813K786-E793 IonicContact NZ-OE1 2.82Å; K786-E793 PolarHBondContact NZ-OE1 2.81Å; K786-E793 IonicContact NZ-OE2 2.8Å; K786-E793 PolarHBondContact NZ-OE2 3.2Å; Y789-E793 WeakPolarHBondContact CA-OE2 3.49Å; Y789-E793 HydrophobicContact CD1-CB 4.46Å; Q790-E793 HydrophobicContact CB-CG 4.11Å; Q790-E793 PolarHBondContact N-OE2 3.39Å; Q790-E793 WeakPolarHBondContact O-CB 3.21Å; Q790-E793 WeakPolarHBondContact O-CG 3.35Å; Q790-E793 PolarHBondContact O-N 3.02Å; E793-T812 WeakPolarHBondContact O-CA 3.49Å; E793-C813 PolarHBondContact O-N 3.27Å
794S86.6Confident82.4Confident73 Ų7379.5 Ų79.551%0.5140%0.404SS..EExtended strand (participates in β ladder)trans-114.1147.6177.562.10000112.3I811S794-I811 CarbonylContact C-O 3.53Å; S794-I811 VanDerWaalsContact CA-O 3.27Å; S794-I811 WeakPolarHBondContact CA-O 3.32Å
795L86.3Confident82.5Confident1 Ų177 Ų771%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-126.2129.5175.5-177.259.9000109.1P774 Q782 L784 Y789 F797 T810 I811 W821P774-L795 HydrophobicContact CG-CD2 4.23Å; Q782-L795 HydrophobicContact CB-CD1 4.06Å; Q782-L795 HydrophobicContact CG-CD1 4.29Å; L784-L795 WeakPolarHBondContact O-CD1 3.27Å; Y789-L795 HydrophobicContact CE1-CD1 4.31Å; Y789-L795 HydrophobicContact CE2-CD2 4.34Å; L795-F797 HydrophobicContact CD2-CE1 4.26Å; L795-F797 HydrophobicContact CD2-CE2 4.36Å; L795-F797 HydrophobicContact CD2-CZ 3.7Å; L795-F797 HydrophobicContact CG-CE1 4.48Å; L795-F797 HydrophobicContact CG-CE2 4.25Å; L795-F797 HydrophobicContact CG-CZ 3.98Å; L795-T810 CarbonylContact O-C 3.55Å; L795-T810 WeakPolarHBondContact O-CA 3.41Å; L795-I811 HydrophobicContact CB-CG1 4.14Å; L795-I811 PolarHBondContact N-O 3.41Å; L795-I811 PolarHBondContact O-N 3.3Å; L795-W821 HydrophobicContact CB-CH2 4.14Å; L795-W821 HydrophobicContact CB-CZ3 4.14Å
796R88.4Confident82.4Confident112 Ų11274 Ų7442%0.42338%0.384SS..EExtended strand (participates in β ladder)trans-113.7140.2-177.8167.1168-65.6-172.5-3.9110.8Q782 T783 F798 V809 T810Q782-R796 CarbonylContact C-O 3.42Å; Q782-R796 WeakPolarHBondContact CA-O 3.33Å; T783-R796 HydrophobicContact CG2-CB 3.73Å; T783-R796 HydrophobicContact CG2-CG 3.94Å; T783-R796 PolarHBondContact N-O 3.09Å; T783-R796 PolarHBondContact OG1-N 3.35Å; T783-R796 PolarHBondContact OG1-O 2.78Å; R796-F798 HydrophobicContact CG-CE1 4.36Å; R796-F798 HydrophobicContact CG-CE2 3.96Å; R796-F798 HydrophobicContact CG-CZ 3.86Å; R796-V809 WeakPolarHBondContact CA-O 3.01Å; R796-V809 WeakPolarHBondContact CG-O 3.3Å; R796-T810 HydrophobicContact CB-CG2 4.34Å; R796-T810 PolarHBondContact NE-OG1 2.9Å; R796-T810 PolarHBondContact NH2-OG1 2.77Å
797F88.4Confident82.4Confident0 Ų073.5 Ų73.50%040%0.397CS..EExtended strand (participates in β ladder)trans-114.5155.6179.7-59.6-83.6000111.4P774 G775 P777 Y781 Q782 L795 L805 V809 I811 P825 P826P774-F797 HydrophobicContact CG-CZ 4.31Å; G775-F797 WeakPolarHBondContact O-CE1 3.47Å; P777-F797 HydrophobicContact CG-CD1 4.32Å; Y781-F797 WeakPolarHBondContact O-CA 3.44Å; Q782-F797 HydrophobicContact CB-CD1 3.71Å; Q782-F797 HydrophobicContact CB-CE1 3.77Å; L795-F797 HydrophobicContact CD2-CE1 4.26Å; L795-F797 HydrophobicContact CD2-CE2 4.36Å; L795-F797 HydrophobicContact CD2-CZ 3.7Å; L795-F797 HydrophobicContact CG-CE1 4.48Å; L795-F797 HydrophobicContact CG-CE2 4.25Å; L795-F797 HydrophobicContact CG-CZ 3.98Å; F797-L805 HydrophobicContact CB-CD1 4.43Å; F797-V809 PolarHBondContact N-O 2.79Å; F797-V809 VanDerWaalsContact N-O 3.15Å; F797-I811 HydrophobicContact CE2-CD1 3.74Å; F797-I811 HydrophobicContact CE2-CG1 3.96Å; F797-I811 HydrophobicContact CE2-CG2 4.39Å; F797-I811 HydrophobicContact CZ-CD1 4.16Å; F797-P825 HydrophobicContact CE1-CB 4.45Å; F797-P825 HydrophobicContact CE2-CB 4.27Å; F797-P825 HydrophobicContact CZ-CB 4.03Å; F797-P826 HydrophobicContact CB-CG 3.73Å; F797-P826 VanDerWaalsContact CD2-CD 3.4Å; F797-P826 HydrophobicContact CD2-CG 3.9Å; F797-P826 HydrophobicContact CG-CG 4Å
798F87.3Confident82.7Confident75 Ų7572.1 Ų72.133%0.32939%0.391SS..EExtended strand (participates in β ladder)trans-140.3152174.8-61.4-76.4000109.6G780 Y781 T783 R796G780-F798 CarbonylContact C-O 3.58Å; G780-F798 WeakPolarHBondContact CA-O 3.4Å; Y781-F798 HydrophobicContact CD1-CB 4.08Å; Y781-F798 HydrophobicContact CD2-CB 4.47Å; Y781-F798 HydrophobicContact CD2-CD2 4.21Å; Y781-F798 HydrophobicContact CE1-CB 3.57Å; Y781-F798 HydrophobicContact CE1-CG 4.44Å; Y781-F798 HydrophobicContact CE2-CB 4.01Å; Y781-F798 AromaticContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CD2 3.53Å; Y781-F798 HydrophobicContact CE2-CE2 4.37Å; Y781-F798 HydrophobicContact CE2-CG 4.14Å; Y781-F798 AromaticContact CZ-CD2 3.77Å; Y781-F798 AromaticContact CZ-CG 3.9Å; Y781-F798 PolarHBondContact N-O 3.09Å; Y781-F798 PolarHBondContact O-N 3.01Å; T783-F798 HydrophobicContact CG2-CD2 4.47Å; T783-F798 HydrophobicContact CG2-CE2 3.64Å; T783-F798 HydrophobicContact CG2-CZ 4.41Å; R796-F798 HydrophobicContact CG-CE1 4.36Å; R796-F798 HydrophobicContact CG-CE2 3.96Å; R796-F798 HydrophobicContact CG-CZ 3.86Å
799C87.2Confident82.7Confident25 Ų2570.2 Ų70.217%0.16939%0.387CS..EExtended strand (participates in β ladder)trans-99.1157171.9-60.80000110.7F803 C828C799-F803 HydrophobicContact CB-CB 3.97Å; C799-C828 WeakPolarHBondContact CA-SG 2.95Å; C799-C828 HydrophobicContact CB-CB 3.75Å; C799-C828 WeakPolarHBondContact CB-SG 3.31Å; C799-C828 WeakPolarHBondContact SG-CA 3.49Å; C799-C828 WeakPolarHBondContact SG-CB 3.49Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.76Å
800Y83.1Confident83Confident126 Ų12671.5 Ų71.549%0.49440%0.395SS..PPolyproline II helixtrans-74.5163.1169.2-60.7-64.5000111.5N779 G780 Y781 F803N779-Y800 WeakPolarHBondContact O-CD2 3.26Å; N779-Y800 PolarHBondContact O-N 2.89Å; G780-Y800 WeakPolarHBondContact O-CE2 3.28Å; G780-Y800 PolarHBondContact O-OH 3.26Å; Y781-Y800 HydrophobicContact CD1-CD1 4.14Å; Y781-Y800 AromaticContact CD1-CE1 3.62Å; Y781-Y800 HydrophobicContact CD1-CE1 3.62Å; Y781-Y800 AromaticContact CD1-CZ 3.99Å; Y781-Y800 HydrophobicContact CE1-CD1 4.39Å; Y781-Y800 HydrophobicContact CE1-CE1 4.19Å; Y800-F803 PolarHBondContact O-N 3.19Å
801E78.3Confident83.3Confident196 Ų19666.4 Ų66.492%0.91637%0.371SS*.THydrogen-bonded Turntrans-56.4139.4-176.9-62.2-173.1153.100112.4
802G71.4Confident83.8Confident59 Ų5967.2 Ų67.261%0.60837%0.373SS*.THydrogen-bonded Turntrans88.9-6.9-174.100000115.2
803F79.5Confident84.1Confident66 Ų6664.4 Ų64.429%0.28934%0.344SS..EExtended strand (participates in β ladder)trans-115.7132.7176.8-61.1-101.9000112.3N779 C799 Y800 C828 K829 V830N779-F803 HydrophobicContact CB-CD1 4.13Å; N779-F803 HydrophobicContact CB-CD2 4.34Å; N779-F803 HydrophobicContact CB-CE1 3.94Å; N779-F803 HydrophobicContact CB-CE2 4.16Å; N779-F803 HydrophobicContact CB-CG 4.34Å; N779-F803 HydrophobicContact CB-CZ 3.95Å; C799-F803 HydrophobicContact CB-CB 3.97Å; Y800-F803 PolarHBondContact O-N 3.19Å; F803-C828 HydrophobicContact CB-CB 3.98Å; F803-C828 HydrophobicContact CD1-CB 4.34Å; F803-C828 HydrophobicContact CG-CB 4.43Å; F803-K829 CarbonylContact C-O 3.52Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.11Å; F803-V830 HydrophobicContact CD1-CG2 3.95Å; F803-V830 HydrophobicContact CE1-CG2 3.63Å; F803-V830 HydrophobicContact CZ-CG2 4.16Å
804E78.8Confident84.1Confident129 Ų12964.6 Ų64.660%0.60335%0.349SS*.EExtended strand (participates in β ladder)trans-89.8142.6171.6-172.7168.5-15400110.9C828 K829E804-C828 WeakPolarHBondContact O-CA 3.44Å; E804-K829 PolarHBondContact N-O 2.98Å; E804-K829 PolarHBondContact O-N 2.8Å
805L83.8Confident83.6Confident47 Ų4764.7 Ų64.725%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-90.4114.4-176.9-172150.1000110.6F797 V809 P826F797-L805 HydrophobicContact CB-CD1 4.43Å; L805-V809 HydrophobicContact CD1-CG2 4.17Å; L805-V809 HydrophobicContact CD2-CB 4.11Å; L805-V809 HydrophobicContact CD2-CG2 4.47Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.08Å; L805-P826 HydrophobicContact CD2-CB 3.6Å; L805-P826 HydrophobicContact CD2-CG 3.96Å; L805-P826 HydrophobicContact CG-CB 3.93Å; L805-P826 HydrophobicContact CG-CG 4.09Å
806I79.7Confident82.9Confident89 Ų8965.6 Ų65.646%0.45636%0.357SS..EExtended strand (participates in β ladder)trans-108.4100.9-179.1-55.5178000109L827 K829I806-L827 PolarHBondContact N-O 2.92Å; I806-L827 PolarHBondContact O-N 3.21Å; I806-K829 HydrophobicContact CD1-CB 4Å; I806-K829 HydrophobicContact CD1-CD 3.81Å; I806-K829 HydrophobicContact CD1-CG 3.99Å
807G81.5Confident81.8Confident55 Ų5565.9 Ų65.957%0.56736%0.364SS*.SBendtrans144.5-166.2179.700000111.5V809G807-V809 PolarHBondContact O-N 2.97Å
808E86Confident81Confident93 Ų9369.5 Ų69.544%0.43539%0.387SS..  trans-80.4118.1176.9-165.1172.4-144.300110.4T810 I811 T822 S823 P826E808-T810 WeakPolarHBondContact CG-O 3.02Å; E808-T810 PolarHBondContact O-N 2.85Å; E808-I811 HydrophobicContact CB-CG2 4.47Å; E808-T822 PolarHBondContact OE2-OG1 2.69Å; E808-S823 WeakPolarHBondContact OE2-CB 3.38Å; E808-S823 PolarHBondContact OE2-OG 2.84Å; E808-P826 WeakPolarHBondContact O-CG 3.03Å
809V84.9Confident80.6Confident64 Ų6466.4 Ų66.439%0.38838%0.375SS..SBendtrans-65.9-16.8-178.168.60000113.2R796 F797 L805 G807R796-V809 WeakPolarHBondContact CA-O 3.01Å; R796-V809 WeakPolarHBondContact CG-O 3.3Å; F797-V809 PolarHBondContact N-O 2.79Å; F797-V809 VanDerWaalsContact N-O 3.15Å; L805-V809 HydrophobicContact CD1-CG2 4.17Å; L805-V809 HydrophobicContact CD2-CB 4.11Å; L805-V809 HydrophobicContact CD2-CG2 4.47Å; G807-V809 PolarHBondContact O-N 2.97Å
810T87.8Confident80.4Confident31 Ų3171.3 Ų71.319%0.1940%0.395CS..EExtended strand (participates in β ladder)trans-147.9114.1-179.6-55.90000110.1L795 R796 E808L795-T810 CarbonylContact O-C 3.55Å; L795-T810 WeakPolarHBondContact O-CA 3.41Å; R796-T810 HydrophobicContact CB-CG2 4.34Å; R796-T810 PolarHBondContact NE-OG1 2.9Å; R796-T810 PolarHBondContact NH2-OG1 2.77Å; E808-T810 WeakPolarHBondContact CG-O 3.02Å; E808-T810 PolarHBondContact O-N 2.85Å
811I88.4Confident80.6Confident0 Ų067.5 Ų67.50%038%0.38CS..EExtended strand (participates in β ladder)trans-100152179.869174.4000109.7P774 S794 L795 F797 E808 W821 S823P774-I811 HydrophobicContact CG-CD1 3.8Å; S794-I811 CarbonylContact C-O 3.53Å; S794-I811 VanDerWaalsContact CA-O 3.27Å; S794-I811 WeakPolarHBondContact CA-O 3.32Å; L795-I811 HydrophobicContact CB-CG1 4.14Å; L795-I811 PolarHBondContact N-O 3.41Å; L795-I811 PolarHBondContact O-N 3.3Å; F797-I811 HydrophobicContact CE2-CD1 3.74Å; F797-I811 HydrophobicContact CE2-CG1 3.96Å; F797-I811 HydrophobicContact CE2-CG2 4.39Å; F797-I811 HydrophobicContact CZ-CD1 4.16Å; E808-I811 HydrophobicContact CB-CG2 4.47Å; I811-W821 HydrophobicContact CB-CE3 4.25Å; I811-W821 HydrophobicContact CD1-CB 4.27Å; I811-W821 HydrophobicContact CD1-CD2 3.73Å; I811-W821 HydrophobicContact CD1-CE3 3.57Å; I811-W821 HydrophobicContact CD1-CG 4.04Å; I811-W821 HydrophobicContact CD1-CZ3 4.16Å; I811-W821 HydrophobicContact CG1-CD2 4.24Å; I811-W821 HydrophobicContact CG1-CE3 3.54Å; I811-W821 HydrophobicContact CG1-CZ3 3.9Å; I811-S823 WeakPolarHBondContact CG2-OG 3.02Å
812T88.3Confident81Confident50 Ų5061.3 Ų61.331%0.30736%0.356SS..EExtended strand (participates in β ladder)trans-121143.9176.140.70000112.2E793 V814 W821 T822E793-T812 WeakPolarHBondContact O-CA 3.49Å; T812-V814 PolarHBondContact O-N 2.8Å; T812-W821 CarbonylContact O-C 3.58Å; T812-W821 WeakPolarHBondContact O-CA 3.12Å; T812-T822 PolarHBondContact N-OG1 3.07Å; T812-T822 VanDerWaalsContact N-OG1 3.13Å; T812-T822 PolarHBondContact O-N 3.44Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.49Å
813C86.8Confident81.6Confident0 Ų060.3 Ų60.30%034%0.339CS..EExtended strand (participates in β ladder)trans-78.2100.6170.6178.10000108.2C771 G792 E793 Q820 W821C771-C813 HydrophobicContact CB-CB 3.8Å; C771-C813 WeakPolarHBondContact CB-SG 3.42Å; C771-C813 WeakPolarHBondContact SG-CA 3.36Å; C771-C813 WeakPolarHBondContact SG-CB 3Å; C771-C813 CovalentContact SG-SG 2.03Å; C771-C813 PolarHBondContact SG-SG 2.84Å; G792-C813 PolarHBondContact N-O 2.66Å; E793-C813 PolarHBondContact O-N 3.27Å; C813-Q820 CarbonylContact C-O 3.46Å; C813-Q820 WeakPolarHBondContact CA-O 3.32Å; C813-W821 HydrophobicContact CB-CE3 4.14Å; C813-W821 HydrophobicContact CB-CH2 4.14Å; C813-W821 HydrophobicContact CB-CZ3 3.9Å
814V83.2Confident81.7Confident66 Ų6665.3 Ų65.340%0.436%0.363SS..EExtended strand (participates in β ladder)trans-79.2137.5178.7-76.10000111.1T812 G816 S819 Q820 T822T812-V814 PolarHBondContact O-N 2.8Å; V814-G816 PolarHBondContact O-N 2.82Å; V814-S819 VanDerWaalsContact O-CB 3.3Å; V814-S819 WeakPolarHBondContact O-CB 3.35Å; V814-Q820 WeakPolarHBondContact CG2-O 3.42Å; V814-Q820 PolarHBondContact N-O 2.98Å; V814-Q820 PolarHBondContact O-N 3.03Å; V814-T822 HydrophobicContact CG1-CG2 3.69Å
815P77.4Confident81.9Confident74 Ų7461.2 Ų61.248%0.48135%0.348SS..  trans-59.7130.3-177.6-1624.7000112.4Y768 A791Y768-P815 HydrophobicContact CD1-CB 3.84Å; Y768-P815 HydrophobicContact CD2-CB 4.05Å; Y768-P815 HydrophobicContact CE1-CB 3.64Å; Y768-P815 HydrophobicContact CE2-CB 3.87Å; Y768-P815 HydrophobicContact CG-CB 4.04Å; A791-P815 HydrophobicContact CB-CB 3.92Å; A791-P815 HydrophobicContact CB-CG 3.96Å
816G69.8Low81.9Confident20 Ų2059.1 Ų59.121%0.20634%0.337CS..  trans-166.5-175.8178.300000113.8V814 P818 S819V814-G816 PolarHBondContact O-N 2.82Å; G816-P818 CarbonylContact C-O 3.34Å; G816-P818 CarbonylContact O-C 3.41Å; G816-S819 PolarHBondContact N-OG 3.11Å; G816-S819 PolarHBondContact O-N 3.34Å; G816-S819 PolarHBondContact O-OG 2.62Å
817H65.6Low82.1Confident119 Ų11959.7 Ų59.755%0.55134%0.341SS*.THydrogen-bonded Turntrans-131.488.7174.6-66.3-72.6000109.9Y768Y768-H817 AromaticContact CD1-NE2 3.98Å
818P71.8Confident82.3Confident75 Ų7557.9 Ų57.949%0.48732%0.319SS..THydrogen-bonded Turncis-72.7160.5-6.332.7-36.8000112.3G816G816-P818 CarbonylContact C-O 3.34Å; G816-P818 CarbonylContact O-C 3.41Å
819S80.4Confident81.8Confident11 Ų1159.1 Ų59.18%0.07732%0.323CS..  trans-67.4147.9170.2-55.20000110.5E769 C771 V814 G816E769-S819 WeakPolarHBondContact O-CB 3.47Å; E769-S819 PolarHBondContact O-OG 3.38Å; C771-S819 VanDerWaalsContact SG-C 3.54Å; C771-S819 VanDerWaalsContact SG-CB 3.54Å; V814-S819 VanDerWaalsContact O-CB 3.3Å; V814-S819 WeakPolarHBondContact O-CB 3.35Å; G816-S819 PolarHBondContact N-OG 3.11Å; G816-S819 PolarHBondContact O-N 3.34Å; G816-S819 PolarHBondContact O-OG 2.62Å
820Q83Confident81.3Confident128 Ų12861.3 Ų61.360%0.59834%0.336SS*.EExtended strand (participates in β ladder)trans-131.8161.5-174.1-59-173.919.700111C813 V814C813-Q820 CarbonylContact C-O 3.46Å; C813-Q820 WeakPolarHBondContact CA-O 3.32Å; V814-Q820 WeakPolarHBondContact CG2-O 3.42Å; V814-Q820 PolarHBondContact N-O 2.98Å; V814-Q820 PolarHBondContact O-N 3.03Å
821W86.4Confident79.9Confident45 Ų4562.1 Ų62.117%0.1735%0.346CS..EExtended strand (participates in β ladder)trans-82.8144.5173.1-65.7104.3000110.8C771 L772 P774 Y789 L795 I811 T812 C813 S823C771-W821 HydrophobicContact CB-CD2 4.31Å; C771-W821 HydrophobicContact CB-CZ2 3.76Å; L772-W821 PolarHBondContact O-NE1 2.9Å; P774-W821 HydrophobicContact CG-CZ2 4.5Å; Y789-W821 HydrophobicContact CD1-CH2 4.17Å; Y789-W821 AromaticContact CD2-CH2 3.74Å; Y789-W821 HydrophobicContact CD2-CH2 3.74Å; Y789-W821 AromaticContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CD2-CZ2 3.56Å; Y789-W821 HydrophobicContact CE2-CH2 4.38Å; Y789-W821 HydrophobicContact CE2-CZ2 4.23Å; Y789-W821 AromaticContact CG-CH2 3.6Å; Y789-W821 HydrophobicContact CG-CH2 3.6Å; Y789-W821 AromaticContact CG-CZ2 3.87Å; Y789-W821 HydrophobicContact CG-CZ2 3.87Å; L795-W821 HydrophobicContact CB-CH2 4.14Å; L795-W821 HydrophobicContact CB-CZ3 4.14Å; I811-W821 HydrophobicContact CB-CE3 4.25Å; I811-W821 HydrophobicContact CD1-CB 4.27Å; I811-W821 HydrophobicContact CD1-CD2 3.73Å; I811-W821 HydrophobicContact CD1-CE3 3.57Å; I811-W821 HydrophobicContact CD1-CG 4.04Å; I811-W821 HydrophobicContact CD1-CZ3 4.16Å; I811-W821 HydrophobicContact CG1-CD2 4.24Å; I811-W821 HydrophobicContact CG1-CE3 3.54Å; I811-W821 HydrophobicContact CG1-CZ3 3.9Å; T812-W821 CarbonylContact O-C 3.58Å; T812-W821 WeakPolarHBondContact O-CA 3.12Å; C813-W821 HydrophobicContact CB-CE3 4.14Å; C813-W821 HydrophobicContact CB-CH2 4.14Å; C813-W821 HydrophobicContact CB-CZ3 3.9Å; W821-S823 PolarHBondContact O-N 3.35Å
822T87.6Confident78.3Confident67 Ų6772.6 Ų72.641%0.41139%0.387SS..SBendtrans-56.8-33.2176.345.70000113.8E808 T812 V814E808-T822 PolarHBondContact OE2-OG1 2.69Å; T812-T822 PolarHBondContact N-OG1 3.07Å; T812-T822 VanDerWaalsContact N-OG1 3.13Å; T812-T822 PolarHBondContact O-N 3.44Å; T812-T822 WeakPolarHBondContact OG1-CG2 3.49Å; V814-T822 HydrophobicContact CG1-CG2 3.69Å
823S82.5Confident76.2Confident37 Ų3778.1 Ų78.126%0.25941%0.41SS..SBendtrans-154.3168-175.259.40000110.8E808 I811 W821E808-S823 WeakPolarHBondContact OE2-CB 3.38Å; E808-S823 PolarHBondContact OE2-OG 2.84Å; I811-S823 WeakPolarHBondContact CG2-OG 3.02Å; W821-S823 PolarHBondContact O-N 3.35Å
824Q82.4Confident73.8Confident171 Ų17187.5 Ų87.580%0.79945%0.453SS*.PPolyproline II helixtrans-78.7151.8175.6-65.9179.91.600110.4
825P81.9Confident71.7Confident44 Ų4491 Ų9129%0.28647%0.469SS..PPolyproline II helixtrans-57.8137.9179.722.9-33.3000111.5F797F797-P825 HydrophobicContact CE1-CB 4.45Å; F797-P825 HydrophobicContact CE2-CB 4.27Å; F797-P825 HydrophobicContact CZ-CB 4.03Å
826P84.7Confident69.8Low2 Ų294.5 Ų94.51%0.01348%0.483CS..PPolyproline II helixtrans-73.2155.7-17332-37.7000112.3P777 F797 L805 E808P777-P826 WeakPolarHBondContact CB-O 3.48Å; P777-P826 WeakPolarHBondContact CG-O 3.38Å; F797-P826 HydrophobicContact CB-CG 3.73Å; F797-P826 VanDerWaalsContact CD2-CD 3.4Å; F797-P826 HydrophobicContact CD2-CG 3.9Å; F797-P826 HydrophobicContact CG-CG 4Å; L805-P826 HydrophobicContact CD1-CB 4.47Å; L805-P826 HydrophobicContact CD1-CG 4.08Å; L805-P826 HydrophobicContact CD2-CB 3.6Å; L805-P826 HydrophobicContact CD2-CG 3.96Å; L805-P826 HydrophobicContact CG-CB 3.93Å; L805-P826 HydrophobicContact CG-CG 4.09Å; E808-P826 WeakPolarHBondContact O-CG 3.03Å
827L84.1Confident68.1Low102 Ų102100.5 Ų100.553%0.53451%0.51SS..EExtended strand (participates in β ladder)trans-104.7137.8-175.9-63.4172.9000112.1I806I806-L827 PolarHBondContact N-O 2.92Å; I806-L827 PolarHBondContact O-N 3.21Å
828C85.1Confident66.8Low16 Ų16100.6 Ų100.611%0.10852%0.515CS..EExtended strand (participates in β ladder)trans-94.3124.7176.8-61.10000111N779 C799 F803 E804N779-C828 HydrophobicContact CB-CB 4.37Å; C799-C828 WeakPolarHBondContact CA-SG 2.95Å; C799-C828 HydrophobicContact CB-CB 3.75Å; C799-C828 WeakPolarHBondContact CB-SG 3.31Å; C799-C828 WeakPolarHBondContact SG-CA 3.49Å; C799-C828 WeakPolarHBondContact SG-CB 3.49Å; C799-C828 CovalentContact SG-SG 2.03Å; C799-C828 PolarHBondContact SG-SG 2.76Å; F803-C828 HydrophobicContact CB-CB 3.98Å; F803-C828 HydrophobicContact CD1-CB 4.34Å; F803-C828 HydrophobicContact CG-CB 4.43Å; E804-C828 WeakPolarHBondContact O-CA 3.44Å
829K76.4Confident65Low120 Ų120108 Ų10852%0.52253%0.533SS..EExtended strand (participates in β ladder)trans-133.5150.2178.4-63-164.8-169.8175.20112.7F803 E804 I806F803-K829 CarbonylContact C-O 3.52Å; F803-K829 VanDerWaalsContact CA-O 3.28Å; F803-K829 WeakPolarHBondContact CA-O 3.11Å; E804-K829 PolarHBondContact N-O 2.98Å; E804-K829 PolarHBondContact O-N 2.8Å; I806-K829 HydrophobicContact CD1-CB 4Å; I806-K829 HydrophobicContact CD1-CD 3.81Å; I806-K829 HydrophobicContact CD1-CG 3.99Å
830V74.6Confident62.6Low110 Ų110115.8 Ų115.867%0.66757%0.566SS**EExtended strand (participates in β ladder)trans-68.9142.9-179.2-172.60000111.2F803F803-V830 HydrophobicContact CD1-CG2 3.95Å; F803-V830 HydrophobicContact CE1-CG2 3.63Å; F803-V830 HydrophobicContact CZ-CG2 4.16Å
831A57.9Low60.3Low48 Ų48115.3 Ų115.340%0.39757%0.567SS.*  trans-108.1160.3177.900000112.8
832Y54Low57.9Low219 Ų219120.4 Ų120.486%0.85959%0.592SS**  trans75.9150.3-169.2-80.3-86000116.3
833E44Very low55.4Low167 Ų167122.9 Ų122.978%0.7861%0.607SS**  cis-125.7160.2-2-58.8-171.7121.300111.5
834E37.1Very low52.9Low196 Ų196126.9 Ų126.992%0.91663%0.63SS**  -153.7138.8126.9-140.6170.5-14300110.6
835L38.9Very low50.7Low139 Ų139126.5 Ų126.573%0.72863%0.628SS**  trans-151.4129.5-173.9-140.6173000109.4
836L38.2Very low48.3Very low149 Ų149129.5 Ų129.578%0.7865%0.646SS**  trans73144.1-170.9-45.6167.4000112.5
837D33.4Very low45.9Very low145 Ų145134.8 Ų134.878%0.77568%0.678SS**  cis-131.1-171.116.6-165.418.8000113.8
838N38.8Very low43.4Very low121 Ų121136.6 Ų136.665%0.64769%0.688SS**  trans-89.1168.8-149.7-89.5-89000118.6
839R33.9Very low41.5Very low232 Ų232141.4 Ų141.488%0.87572%0.719SS**  trans75.8149.1157.1-74.9157.8168.6164.4-3.3115.8
840K29.5Very low39.4Very low173 Ų173140.8 Ų140.875%0.75273%0.73SS**  cis-154.814322.5-158-175.9167.1-171.80111.9
841L35.8Very low37.6Very low119 Ų119147.2 Ų147.262%0.62374%0.743SS**  trans26.2145.7149.6-74.849.4000119.8
842E34.3Very low36.8Very low151 Ų151154 Ų15471%0.70677%0.766SS**  cis-164.114112.9-119.1151.5-174.400109.4
843V35.3Very low36Very low120 Ų120150.7 Ų150.773%0.72776%0.762SS**  58.8108.4103173.40000114.8
844T31.2Very low36.3Very low120 Ų120149.3 Ų149.374%0.73676%0.756SS**  -174.8164.782.718.40000108.3
845Q35Very low36.7Very low164 Ų164144.3 Ų144.377%0.76676%0.757SS**  cis-155.3156.93.6-130.9167.5-15.700111.2
846T33.1Very low37.3Very low107 Ų107140 Ų14066%0.65675%0.746SS**  trans-7.7163146.461.40000119.9
847T33.8Very low38.2Very low113 Ų113138.4 Ų138.469%0.69374%0.739SS**  cis-177.3160.9238.80000106.1
848D31.1Very low39.1Very low139 Ų139138.2 Ų138.274%0.74374%0.737SS**  cis-164.6165.8-15.1-122.539.1000109.6
849P44.9Very low39.8Very low117 Ų117135.3 Ų135.376%0.7673%0.73SS**  trans-89.6124.8-169.633.7-32.8000114.8
850S33.3Very low40.9Very low107 Ų107128.8 Ų128.875%0.74871%0.711SS**  trans-160.9171.816267.80000112.6
851R37Very low42.3Very low246 Ų246123.9 Ų123.993%0.92870%0.703SS**  trans84.762.8176.7-56.9-74.3174.1135.2-3.7117.7
852Q39.7Very low43.6Very low189 Ų189123.7 Ų123.788%0.88370%0.702SS**  trans-101.2100.3150.8179.2-174.712.200108.9
853L38.7Very low44.9Very low150 Ų150121.8 Ų121.879%0.78570%0.696SS**  trans177.3164.5159.8-103.6155.1000113
854E49.3Very low46.6Very low138 Ų138121.6 Ų121.665%0.64569%0.69SS**  trans6744.8162.1-109.768.7-100.200120.9G856E854-G856 PolarHBondContact O-N 2.03Å
855G44.9Very low48.3Very low91 Ų91119.4 Ų119.494%0.93868%0.678SS**THydrogen-bonded Turntrans-71.33.7167.100000116.4
856G52.5Low50.1Low48 Ų48116.7 Ų116.750%0.49567%0.668SS.*THydrogen-bonded Turntrans-90.2-22.9-166.400000117.1E854E854-G856 PolarHBondContact O-N 2.03Å
857N56.9Low52.1Low117 Ų117113.2 Ų113.263%0.62665%0.653SS**THydrogen-bonded Turntrans-103.325.9-158.8-74.8-26.8000116.1
858L51.9Low54.3Low141 Ų141113 Ų11374%0.73865%0.647SS**THydrogen-bonded Turntrans-104.8-34.1171.8-153.873000113.6
859A53.9Low56.5Low60 Ų60111.2 Ų111.250%0.49664%0.641SS.*Hα-helixtrans-69.3-41.7179.200000112.7A861 I862 L863A859-A861 VanDerWaalsContact C-N 3.29Å; A859-A861 PolarHBondContact O-N 2.97Å; A859-I862 PolarHBondContact O-N 3.15Å; A859-L863 HydrophobicContact CB-CD1 4.38Å; A859-L863 WeakPolarHBondContact O-CB 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.46Å
860L57Low58.1Low94 Ų94110.9 Ų110.949%0.49263%0.632SS.*Hα-helixtrans-61.9-34.8-179.7-78.4165.7000112.9I862 L864L860-I862 PolarHBondContact O-N 3.18Å; L860-L864 HydrophobicContact CB-CD1 4.4Å; L860-L864 HydrophobicContact CD2-CD1 4.41Å; L860-L864 HydrophobicContact CD2-CG 4.5Å; L860-L864 WeakPolarHBondContact O-CB 3.02Å; L860-L864 WeakPolarHBondContact O-CG 3.03Å; L860-L864 PolarHBondContact O-N 2.93Å; L860-L864 VanDerWaalsContact O-N 3.11Å
861A58.5Low60.3Low71 Ų71110.5 Ų110.559%0.58763%0.625SS**Hα-helixtrans-65.5-23.9-179.500000113.6A859 P865A859-A861 VanDerWaalsContact C-N 3.29Å; A859-A861 PolarHBondContact O-N 2.97Å; A861-P865 WeakPolarHBondContact O-CD 3.1Å; A861-P865 WeakPolarHBondContact O-CG 3.42Å
862I63.8Low62.5Low115 Ų115104 Ų10459%0.5961%0.608SS**Hα-helixtrans-99.4-39.8179.2-57.9176.3000110.8A859 L860 P865 L866A859-I862 PolarHBondContact O-N 3.15Å; L860-I862 PolarHBondContact O-N 3.18Å; I862-P865 WeakPolarHBondContact O-CD 3.47Å; I862-P865 WeakPolarHBondContact O-CG 3.24Å; I862-L866 PolarHBondContact O-N 3.09Å
863L62.2Low64.3Low110 Ų11097.1 Ų97.158%0.57659%0.587SS**Hα-helixtrans-74.6-33.7-175.7-68.2171.3000113.8A859 L866 G867A859-L863 HydrophobicContact CB-CD1 4.38Å; A859-L863 WeakPolarHBondContact O-CB 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.46Å; L863-L866 PolarHBondContact O-N 3.39Å; L863-G867 PolarHBondContact O-N 2.92Å
864L69.6Low65.8Low117 Ų11792.6 Ų92.661%0.61357%0.568SS**Hα-helixtrans-61.6-51.9177.7-77.5167.6000113.7L860 L866 G867 L868L860-L864 HydrophobicContact CB-CD1 4.4Å; L860-L864 HydrophobicContact CD2-CD1 4.41Å; L860-L864 HydrophobicContact CD2-CG 4.5Å; L860-L864 WeakPolarHBondContact O-CB 3.02Å; L860-L864 WeakPolarHBondContact O-CG 3.03Å; L860-L864 PolarHBondContact O-N 2.93Å; L860-L864 VanDerWaalsContact O-N 3.11Å; L864-L866 VanDerWaalsContact C-N 3.34Å; L864-L866 PolarHBondContact O-N 2.03Å; L864-G867 PolarHBondContact O-N 2.79Å; L864-L868 WeakPolarHBondContact O-CB 3.38Å; L864-L868 PolarHBondContact O-N 2.67Å; L864-L868 VanDerWaalsContact O-N 3.08Å
865P67.4Low67.1Low74 Ų7487.9 Ų87.948%0.48156%0.557SS.*Hα-helixtrans-65.5-36176.924.2-32.9000112.5A861 I862 L868 V869A861-P865 WeakPolarHBondContact O-CD 3.1Å; A861-P865 WeakPolarHBondContact O-CG 3.42Å; I862-P865 WeakPolarHBondContact O-CD 3.47Å; I862-P865 WeakPolarHBondContact O-CG 3.24Å; P865-L868 PolarHBondContact O-N 3.45Å; P865-V869 WeakPolarHBondContact O-CG2 3.45Å; P865-V869 PolarHBondContact O-N 2.82Å; P865-V869 VanDerWaalsContact O-N 3.09Å
866L73.7Confident68.8Low107 Ų10787.9 Ų87.956%0.5654%0.538SS*.Hα-helixtrans-64.6-45178.3-149.883.6000111.8I862 L863 L864 L868 V869 I870I862-L866 PolarHBondContact O-N 3.09Å; L863-L866 PolarHBondContact O-N 3.39Å; L864-L866 VanDerWaalsContact C-N 3.34Å; L864-L866 PolarHBondContact O-N 2.03Å; L866-L868 VanDerWaalsContact C-N 3.34Å; L866-L868 PolarHBondContact O-N 3.23Å; L866-V869 PolarHBondContact O-N 2.03Å; L866-I870 WeakPolarHBondContact O-CG1 3.18Å; L866-I870 PolarHBondContact O-N 2.88Å; L866-I870 VanDerWaalsContact O-N 3.13Å
867G74.9Confident69.6Low33 Ų3393.2 Ų93.234%0.3455%0.545SS..Hα-helixtrans-62.9-38.7175.700000112.8L863 L864 I870 V871L863-G867 PolarHBondContact O-N 2.92Å; L864-G867 PolarHBondContact O-N 2.79Å; G867-I870 PolarHBondContact O-N 3.31Å; G867-V871 WeakPolarHBondContact O-CG2 3.47Å; G867-V871 PolarHBondContact O-N 3.44Å
868L78.4Confident70.3Confident109 Ų10992.6 Ų92.657%0.57154%0.54SS*.Hα-helixtrans-66.3-38.9178.7-159.3154.3000111.7L864 P865 L866 V871 L872L864-L868 WeakPolarHBondContact O-CB 3.38Å; L864-L868 PolarHBondContact O-N 2.67Å; L864-L868 VanDerWaalsContact O-N 3.08Å; P865-L868 PolarHBondContact O-N 3.45Å; L866-L868 VanDerWaalsContact C-N 3.34Å; L866-L868 PolarHBondContact O-N 3.23Å; L868-V871 PolarHBondContact O-N 2.86Å; L868-L872 HydrophobicContact CD2-CD1 3.63Å; L868-L872 HydrophobicContact CD2-CG 4.11Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 2.93Å
869V78.9Confident71.4Confident101 Ų10193.2 Ų93.261%0.61253%0.534SS*.Hα-helixtrans-62.9-41.6172.1171.50000111.8P865 L866 L872 G873P865-V869 WeakPolarHBondContact O-CG2 3.45Å; P865-V869 PolarHBondContact O-N 2.82Å; P865-V869 VanDerWaalsContact O-N 3.09Å; L866-V869 PolarHBondContact O-N 2.03Å; V869-L872 PolarHBondContact O-N 3.33Å; V869-G873 PolarHBondContact O-N 3.38Å
870I77.3Confident72.1Confident110 Ų11097.1 Ų97.156%0.56454%0.537SS*.Hα-helixtrans-66.1-39.9177.9-67.1165000111.5L866 G867 G873 S874L866-I870 WeakPolarHBondContact O-CG1 3.18Å; L866-I870 PolarHBondContact O-N 2.88Å; L866-I870 VanDerWaalsContact O-N 3.13Å; G867-I870 PolarHBondContact O-N 3.31Å; I870-G873 PolarHBondContact O-N 3.49Å; I870-S874 WeakPolarHBondContact O-CB 3.41Å; I870-S874 PolarHBondContact O-N 3.5Å; I870-S874 PolarHBondContact O-OG 2.97Å
871V79.8Confident72.4Confident100 Ų10094 Ų9461%0.60652%0.522SS*.Hα-helixtrans-66.3-41175.7170.50000111.7G867 L868 S874 G875G867-V871 WeakPolarHBondContact O-CG2 3.47Å; G867-V871 PolarHBondContact O-N 3.44Å; L868-V871 PolarHBondContact O-N 2.86Å; V871-S874 WeakPolarHBondContact CA-OG 3.38Å; V871-S874 PolarHBondContact O-OG 2.82Å; V871-G875 PolarHBondContact O-N 2.95Å
872L82.5Confident72.5Confident110 Ų11099 Ų9958%0.57653%0.53SS*.Hα-helixtrans-66.9-44174.9-71.5176.5000112.1L868 V869 G875 V876L868-L872 HydrophobicContact CD2-CD1 3.63Å; L868-L872 HydrophobicContact CD2-CG 4.11Å; L868-L872 WeakPolarHBondContact O-CG 3.48Å; L868-L872 PolarHBondContact O-N 2.93Å; V869-L872 PolarHBondContact O-N 3.33Å; L872-G875 PolarHBondContact O-N 2.9Å; L872-V876 WeakPolarHBondContact O-CG2 3.44Å; L872-V876 PolarHBondContact O-N 3.29Å
873G79.3Confident72.5Confident43 Ų4399.3 Ų99.344%0.44353%0.533SS..Hα-helixtrans-62.2-44.6178.300000113V869 I870 V876 Y877V869-G873 PolarHBondContact O-N 3.38Å; I870-G873 PolarHBondContact O-N 3.49Å; G873-V876 PolarHBondContact O-N 2.76Å; G873-Y877 WeakPolarHBondContact O-CB 3.16Å; G873-Y877 PolarHBondContact O-N 2.72Å
874S69.3Low72.3Confident55 Ų55100.5 Ų100.539%0.38554%0.535SS..Hα-helixtrans-67.1-36.1174.952.10000112.7I870 V871 Y877 I878I870-S874 WeakPolarHBondContact O-CB 3.41Å; I870-S874 PolarHBondContact O-N 3.5Å; I870-S874 PolarHBondContact O-OG 2.97Å; V871-S874 WeakPolarHBondContact CA-OG 3.38Å; V871-S874 PolarHBondContact O-OG 2.82Å; S874-Y877 PolarHBondContact O-N 3.22Å; S874-I878 VanDerWaalsContact O-CG1 3.3Å; S874-I878 WeakPolarHBondContact O-CG1 3.13Å; S874-I878 PolarHBondContact O-N 2.81Å
875G77.3Confident71.7Confident39 Ų3998.4 Ų98.440%0.40254%0.541SS..Hα-helixtrans-60.4-45.2171.900000113.3V871 L872 I878 Y879V871-G875 PolarHBondContact O-N 2.95Å; L872-G875 PolarHBondContact O-N 2.9Å; G875-I878 PolarHBondContact O-N 2.95Å; G875-Y879 WeakPolarHBondContact O-CB 3.37Å; G875-Y879 PolarHBondContact O-N 2.94Å
876V79.9Confident71Confident91 Ų91103.3 Ų103.355%0.55256%0.555SS**Hα-helixtrans-65-39.7175.5172.40000111.6L872 G873 Y879 Y880L872-V876 WeakPolarHBondContact O-CG2 3.44Å; L872-V876 PolarHBondContact O-N 3.29Å; G873-V876 PolarHBondContact O-N 2.76Å; V876-Y879 PolarHBondContact O-N 2.81Å; V876-Y880 PolarHBondContact O-N 2.58Å
877Y70.1Confident69.7Low161 Ų161103.6 Ų103.663%0.63157%0.566SS**Hα-helixtrans-63.7-43.9175.9-175-97.7000112.4G873 S874 Y879 Y880 T881G873-Y877 WeakPolarHBondContact O-CB 3.16Å; G873-Y877 PolarHBondContact O-N 2.72Å; S874-Y877 PolarHBondContact O-N 3.22Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y879 PolarHBondContact O-N 2.91Å; Y877-Y880 PolarHBondContact O-N 3.34Å; Y877-T881 HydrophobicContact CD1-CG2 4.27Å; Y877-T881 HydrophobicContact CE1-CG2 3.9Å; Y877-T881 HydrophobicContact CE2-CG2 4.48Å; Y877-T881 WeakPolarHBondContact O-CG2 3.3Å; Y877-T881 PolarHBondContact O-N 3.25Å; Y877-T881 PolarHBondContact O-OG1 2.8Å
878I71.4Confident68.6Low103 Ų103107.9 Ų107.953%0.52858%0.581SS.*Hα-helixtrans-64.4-38.8175.5-69166.5000111.1S874 G875 T881 K882S874-I878 VanDerWaalsContact O-CG1 3.3Å; S874-I878 WeakPolarHBondContact O-CG1 3.13Å; S874-I878 PolarHBondContact O-N 2.81Å; G875-I878 PolarHBondContact O-N 2.95Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 3.33Å; I878-T881 VanDerWaalsContact O-OG1 3.08Å; I878-K882 WeakPolarHBondContact O-CB 3.5Å; I878-K882 PolarHBondContact O-N 3.38Å
879Y75.3Confident67Low154 Ų154112.3 Ų112.360%0.60460%0.595SS**Hα-helixtrans-61.4-46.1173.9-177.8-98.1000112.2G875 V876 Y877 K882 L883G875-Y879 WeakPolarHBondContact O-CB 3.37Å; G875-Y879 PolarHBondContact O-N 2.94Å; V876-Y879 PolarHBondContact O-N 2.81Å; Y877-Y879 VanDerWaalsContact C-N 3.34Å; Y877-Y879 PolarHBondContact O-N 2.91Å; Y879-K882 PolarHBondContact O-N 3.2Å; Y879-L883 HydrophobicContact CE1-CD1 4.13Å; Y879-L883 HydrophobicContact CE2-CD1 4.4Å; Y879-L883 PolarHBondContact O-N 3.43Å
880Y68Low64.9Low142 Ų142110.7 Ų110.756%0.55760%0.6SS**Hα-helixtrans-65.6-44178.9-114.3-84.7000113.1V876 Y877 K882 L883 Q884V876-Y880 PolarHBondContact O-N 2.58Å; Y877-Y880 PolarHBondContact O-N 3.34Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.29Å; Y880-L883 WeakPolarHBondContact O-CB 3.24Å; Y880-L883 PolarHBondContact O-N 2.85Å; Y880-L883 VanDerWaalsContact O-N 3.14Å; Y880-Q884 PolarHBondContact O-N 3.13Å
881T63.3Low62.7Low30 Ų30115.1 Ų115.118%0.18462%0.615CS.*Hα-helixtrans-65.2-36177.352.90000112.4Y877 I878 Q884 G885Y877-T881 HydrophobicContact CD1-CG2 4.27Å; Y877-T881 HydrophobicContact CE1-CG2 3.9Å; Y877-T881 HydrophobicContact CE2-CG2 4.48Å; Y877-T881 WeakPolarHBondContact O-CG2 3.3Å; Y877-T881 PolarHBondContact O-N 3.25Å; Y877-T881 PolarHBondContact O-OG1 2.8Å; I878-T881 WeakPolarHBondContact CA-OG1 3.48Å; I878-T881 PolarHBondContact O-OG1 3.33Å; I878-T881 VanDerWaalsContact O-OG1 3.08Å; T881-Q884 PolarHBondContact O-N 2.95Å; T881-G885 PolarHBondContact O-N 3.28Å
882K61.1Low60.6Low176 Ų176116.2 Ų116.277%0.76563%0.627SS**Hα-helixtrans-61.9-39.6169.1-94.9-92.7179173.60112.8I878 Y879 Y880 Q884 G885I878-K882 WeakPolarHBondContact O-CB 3.5Å; I878-K882 PolarHBondContact O-N 3.38Å; Y879-K882 PolarHBondContact O-N 3.2Å; Y880-K882 VanDerWaalsContact C-N 3.35Å; Y880-K882 PolarHBondContact O-N 3.29Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 3.19Å; K882-G885 PolarHBondContact O-N 3.09Å
883L63.8Low58.5Low121 Ų121114.4 Ų114.463%0.63464%0.635SS**Hα-helixtrans-67.9-28.9176.3-124.582000112.9Y879 Y880Y879-L883 HydrophobicContact CE1-CD1 4.13Å; Y879-L883 HydrophobicContact CE2-CD1 4.4Å; Y879-L883 PolarHBondContact O-N 3.43Å; Y880-L883 WeakPolarHBondContact O-CB 3.24Å; Y880-L883 PolarHBondContact O-N 2.85Å; Y880-L883 VanDerWaalsContact O-N 3.14Å
884Q56.8Low56.4Low135 Ų135117.7 Ų117.763%0.63165%0.652SS**THydrogen-bonded Turntrans-92.36.2-179.2-69.2-175.2-15.800114.4Y880 T881 K882 K886Y880-Q884 PolarHBondContact O-N 3.13Å; T881-Q884 PolarHBondContact O-N 2.95Å; K882-Q884 VanDerWaalsContact C-N 3.3Å; K882-Q884 PolarHBondContact O-N 3.19Å; Q884-K886 VanDerWaalsContact C-N 3.31Å; Q884-K886 PolarHBondContact O-N 3.36Å; Q884-K886 VanDerWaalsContact O-N 3.16Å
885G56.7Low54.6Low72 Ų72124.6 Ų124.674%0.74268%0.677SS**THydrogen-bonded Turntrans67.316.8164.300000117.1T881 K882T881-G885 PolarHBondContact O-N 3.28Å; K882-G885 PolarHBondContact O-N 3.09Å
886K54Low52.4Low178 Ų178127.6 Ų127.677%0.77469%0.692SS**  trans-100.6129.8-179.9-71.6-178.5178.2-179.50111.9Q884Q884-K886 VanDerWaalsContact C-N 3.31Å; Q884-K886 PolarHBondContact O-N 3.36Å; Q884-K886 VanDerWaalsContact O-N 3.16Å
887S46.1Very low49.9Very low112 Ų112133.9 Ų133.978%0.78371%0.708SS**  trans-74.5145178.4-165.90000111.8
888L52.4Low48.1Very low124 Ų124130.7 Ų130.765%0.64971%0.709SS**SBendtrans-105.3118.7171.8-77.3159.6000108.6
889F43.7Very low46.8Very low201 Ų201130.7 Ų130.788%0.88272%0.716SS**  trans66.8149-170.7-63.8-92.3000116
890G34Very low44.6Very low68 Ų68130.5 Ų130.570%0.70172%0.723SS**  trans-173138.1173.300000111.1
891F32.7Very low42.7Very low202 Ų202129.7 Ų129.789%0.88673%0.733SS**  trans-156.7129.7173.2-102.1-73.1000109.4
892S35.8Very low41.2Very low123 Ų123135.1 Ų135.186%0.8677%0.766SS**  trans58.3135.2165.3-53.40000118
893G36.8Very low39.8Very low73 Ų73135.2 Ų135.275%0.75377%0.769SS**  cis177.2-162.73.400000108
894S36.1Very low38.3Very low112 Ų112134.8 Ų134.878%0.78378%0.777SS**  cis174.1129.4-18.444.60000108.2
895H31.4Very low37.2Very low200 Ų200135.4 Ų135.493%0.92678%0.784SS**  trans-147.4157.4175.9-108.5-80.9000114
896S31Very low35.8Very low102 Ų102141.8 Ų141.871%0.71379%0.792SS**  trans-83.7169.9-169.2-40.30000113.8
897Y28.5Very low34.8Very low223 Ų223138.9 Ų138.988%0.87579%0.794SS**  -154171.751.8-124.4-89.9000115.1
898S30.7Very low34.2Very low94 Ų94140.8 Ų140.866%0.65780%0.795SS**  trans-104.2-176.1-174.8610000112.8
899P45.3Very low33.7Very low103 Ų103140.2 Ų140.267%0.66980%0.799SS**  cis-148.2-16814.845.7-24.9000118.4
900I28.1Very low33.1Very low149 Ų149137.1 Ų137.176%0.76479%0.791SS**  trans74128.9161.6-66.3168.5000116.4
901T29.4Very low33Very low125 Ų125145 Ų14577%0.76780%0.801SS**  cis-154.6145.4-18.623.70000107.9
902V30.8Very low33.1Very low144 Ų144143.7 Ų143.787%0.87380%0.798SS**  trans-139.7132171.7175.10000109.2
903E31.8Very low33Very low179 Ų179142.7 Ų142.784%0.83680%0.797SS**  trans-99.3178.8168.4-68176.9115.800110.3
904S31.7Very low32.7Very low112 Ų112143 Ų14378%0.78380%0.801SS**  trans70.8101.5-179.5630000116.6
905D33.5Very low32.4Very low148 Ų148145 Ų14579%0.79180%0.802SS**  trans-44.4160.2150.1-49.3-92.9000113.2
906F29.2Very low32.6Very low206 Ų206140.8 Ų140.890%0.90479%0.791SS**  -157.4138.8116.5-115.2-76000110.8
907S32.6Very low32.6Very low116 Ų116146.1 Ų146.181%0.81180%0.795SS**  trans-149118.8170.2-78.60000110
908N33.5Very low32.9Very low152 Ų152141.6 Ų141.681%0.81378%0.782SS**  trans-77.6135.5177.9-16816.4000109.3L910N908-L910 PolarHBondContact OD1-N 2.72Å
909P42.4Very low32.9Very low112 Ų112146 Ų14673%0.72779%0.786SS**  -147.8154.799.338.5-24.1000114.6
910L30.7Very low32.3Very low136 Ų136149.8 Ų149.871%0.71279%0.794SS**  trans-167.6131.8141.8-113.9162000113.1N908N908-L910 PolarHBondContact OD1-N 2.72Å
911Y31.2Very low32.7Very low234 Ų234148.5 Ų148.592%0.91879%0.793SS**  -161.6118.9121.9-111.3-71000108.7
912E34.1Very low32.9Very low174 Ų174147.8 Ų147.881%0.81379%0.793SS**  trans-109.1155.6170.5-104.8-175.6156.100110.4
913A34.2Very low33.2Very low103 Ų103152 Ų15285%0.85181%0.809SS**  trans-85.8143.5-178.400000111.6
914G31.1Very low33.3Very low80 Ų80150.7 Ų150.783%0.82581%0.807SS**  trans-98.1135.5174.100000113.1
915D29.6Very low33.4Very low154 Ų154152.7 Ų152.782%0.82481%0.808SS**  trans-143.7174.1151.7-155-18.4000108.9
916T34.4Very low33.4Very low111 Ų111153 Ų15368%0.68181%0.809SS**  trans-87.3148.9-152.247.80000116.3
917R32.4Very low33.6Very low213 Ų213149.9 Ų149.980%0.80480%0.804SS**  175117.8112.6-94.7168.1174.51692.5116.9
918E33.3Very low33.7Very low128 Ų128152 Ų15260%0.59880%0.803SS**  41.2148.8128.2-54.6177.897.300124.8
919Y31.6Very low33.7Very low188 Ų188152 Ų15274%0.73780%0.803SS**  trans78.5141.7163-45.2-62.9000117.7
920E32.3Very low33.1Very low182 Ų182154.9 Ų154.985%0.8581%0.808SS**  cis-150.6-179-3.6-135.3-174.3152.200114.2
921V37.6Very low33.3Very low122 Ų122156.3 Ų156.374%0.73982%0.816SS**  trans-80.7144.5-164.5171.90000115.8
922S32.1Very low33.4Very low109 Ų109149.8 Ų149.876%0.76281%0.807SS**  trans173.2140.1136.833.30000111.7
923I38.6Very low33.4Very low234 Ų234147.6 Ų147.6100%1.281%0.807SS**  cis-134.20-11.3-95158.5000107.3

Retrieved 923 of 923 residues in 2587 ms (Link to these results)