A0A096MQZ7_PAPAN Loading...

Protein phosphatase 1 regulatory subunit

AlphaFold DB , UniProt , Accession A0A096MQZ7, Species PAPAN (Papio anubis, Olive baboon), Gene PPP1R3D, Length 299 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
1M35.8Very low35.2Very low240 Ų240138.5 Ų138.5100%1.18283%0.833SS**  0118.50-60.5-167.2157.700105.2
2S38.6Very low34.6Very low109 Ų109135.8 Ų135.876%0.76283%0.825SS**  cis-161.8124.846.8-57.40000108
3R34.3Very low34.3Very low254 Ų254132.8 Ų132.896%0.95882%0.824SS**  55.4114.3102.3-72-170.3177.5-163.40.3115.6
4G34Very low33.9Very low72 Ų72136.3 Ų136.374%0.74283%0.833SS**  trans-82.3-166.1167.500000114.1
5P48.5Very low33.7Very low126 Ų126132.6 Ų132.682%0.81883%0.833SS**  -140.1143.312824.3-3.3000113
6S34.5Very low33.6Very low122 Ų122130.5 Ų130.585%0.85382%0.824SS**  68.9141.894.4-150.60000114.2
7S31.8Very low33.3Very low107 Ų107135.8 Ų135.875%0.74883%0.825SS**  cis179.5171.6-14.3177.60000105.8
8A30.5Very low33.1Very low84 Ų84138.4 Ų138.469%0.69482%0.823SS**  trans84145.6158.600000118.4
9V30.4Very low33Very low142 Ų142140.6 Ų140.686%0.86183%0.83SS**  cis-169.7156.9-1.5132.30000107.8
10L32.3Very low33.2Very low151 Ų151139.9 Ų139.979%0.79183%0.827SS**  trans-67.7171.9174.8-72.5156.6000114.6
11P36.8Very low33.2Very low116 Ų116139.3 Ų139.375%0.75383%0.827SS**  -138.7135.397.226.3-7.3000112.4
12S28Very low33.1Very low106 Ų106139.8 Ų139.874%0.74182%0.815SS**  66.5105.175.579.70000117
13A30.5Very low32.8Very low98 Ų98140 Ų14081%0.8182%0.816SS**  trans-154.999146.500000107.7
14L29.2Very low32.8Very low181 Ų181136.2 Ų136.295%0.94881%0.814SS**  53.293.889.7-97149.7000114.8
15G29.7Very low32.6Very low81 Ų81137.7 Ų137.784%0.83581%0.813SS**  trans-156.594.7162.800000109.3
16S32.3Very low31.7Very low99 Ų99137.1 Ų137.169%0.69281%0.811SS**  trans-84.8141.8-174.966.30000113
17R29.2Very low31.5Very low220 Ų220139.7 Ų139.783%0.8382%0.815SS**  trans75.9108.6134.2-82.1177171.4-161-2.7119.1
18K30Very low31.6Very low184 Ų184139.8 Ų139.880%0.882%0.815SS**  174.4124.786.6-98159.9-170.7-175.70111.3
19L30.6Very low31.6Very low180 Ų180143 Ų14394%0.94282%0.821SS**  trans-71.9130.4162.4-77.6148.5000108.9
20T38.1Very low31.7Very low126 Ų126144.8 Ų144.877%0.77383%0.825SS**  trans-130148.4165.545.20000109.6
21P31.6Very low31.5Very low127 Ų127145.8 Ų145.883%0.82583%0.831SS**  trans-90.9162.9-157.935.9-33.6000113.5S23P21-S23 PolarHBondContact O-N 2.91Å
22R35.3Very low31.2Very low251 Ų251143.3 Ų143.395%0.94783%0.826SS**  trans-47.8125.4171.5-64.8172.2170.7154.3-3.7112.5
23S30.6Very low31.2Very low112 Ų112142 Ų14278%0.78383%0.829SS**  trans-158.6114.8152-179.50000108.4P21P21-S23 PolarHBondContact O-N 2.91Å
24L34.5Very low31.2Very low175 Ų175144.2 Ų144.292%0.91683%0.832SS**  trans-89.7128.7174.7-81.9160.6000109.5
25S30.2Very low31.3Very low103 Ų103140.2 Ų140.272%0.7283%0.825SS**  trans146.7125.316348.10000104.9
26C29.7Very low31.4Very low115 Ų115144.7 Ų144.778%0.77783%0.829SS**  cis-171128.233.240.20000106.3
27L29.4Very low31.5Very low176 Ų176147.9 Ų147.992%0.92183%0.833SS**  trans-144.4114.4166.4-75-179.4000110
28S33.7Very low31.8Very low109 Ų109142.8 Ų142.876%0.76283%0.828SS**  trans-162.5129.8158.5-35.40000103.4
29D31.6Very low32.1Very low152 Ų152145.3 Ų145.381%0.81383%0.833SS**  cis-157148.94.6-80.8-52.7000106.5
30L31.6Very low32.4Very low179 Ų179142.7 Ų142.794%0.93783%0.826SS**  trans-135101.9163.6-78.7177.4000108.5
31D29.6Very low32Very low172 Ų172143 Ų14392%0.9283%0.832SS**  trans-177.3143.4142.2-140.710.9000106.2
32G29.8Very low32.2Very low63 Ų63148.3 Ų148.365%0.64984%0.836SS**  cis-174.9160.16.100000106
33G28.2Very low32.5Very low78 Ų78141.4 Ų141.480%0.80482%0.823SS**  trans-72.7158.2-151.400000119.1
34V31.1Very low33.2Very low146 Ų146142.6 Ų142.689%0.88583%0.828SS**  trans-145.1117.9145.7-173.20000110
35A30.1Very low33.2Very low96 Ų96137.3 Ų137.379%0.79382%0.817SS**  trans32.4114.515600000121.6
36L31.9Very low33.8Very low175 Ų175138 Ų13892%0.91682%0.821SS**  trans-86.7120.2158.8-93.8148.2000109.9
37E35.2Very low34.7Very low167 Ų167139 Ų13978%0.7883%0.826SS**  trans-108.3132159.6-97.4-70.1137.600108.7R39E37-R39 PolarHBondContact O-N 2.9Å
38P34.8Very low35.1Very low112 Ų112134 Ų13473%0.72782%0.818SS**PPolyproline II helixtrans-82.8116.2-173.725.9-20.2000111.4
39R36.1Very low35.7Very low238 Ų238140.6 Ų140.690%0.89883%0.826SS**PPolyproline II helixtrans-84.3133.7172.6-74.9-174.9166.6-175.5-3.1111.3E37E37-R39 PolarHBondContact O-N 2.9Å
40P36.5Very low36.3Very low124 Ų124137.4 Ų137.481%0.80582%0.821SS**PPolyproline II helixtrans-71.7142.9-174.625.3-31.3000113.3
41C30.8Very low37.3Very low133 Ų133134.5 Ų134.590%0.89981%0.813SS**PPolyproline II helixtrans-60.5129.7175.1-57.50000111.5
42R35.3Very low38.6Very low239 Ų239132 Ų13290%0.90281%0.806SS**PPolyproline II helixtrans-92.2135.8172.2-161.3179-150-170.66.2110.1
43P41.1Very low39.6Very low105 Ų105135 Ų13568%0.68281%0.814SS**PPolyproline II helixtrans-73.8164.6-179.830.4-34.5000112.7
44P45.6Very low40.8Very low137 Ų137135.6 Ų135.689%0.8981%0.811SS**PPolyproline II helixtrans-79.2131.1-172.732.3-31.8000111.1
45G34.4Very low41.6Very low65 Ų65134.7 Ų134.767%0.6781%0.808SS**  trans-144.5105.2-179.800000113.8
46S43.2Very low42.6Very low116 Ų116134.5 Ų134.581%0.81181%0.806SS**  trans63.7144.1152.657.50000121.8G48S46-G48 PolarHBondContact O-N 3.21Å; S46-G48 VanDerWaalsContact O-N 3.14Å
47P49Very low43.3Very low137 Ų137130.8 Ų130.889%0.8979%0.793SS**  trans-81.496.2-173.133.4-31.5000111.1
48G37.2Very low44.3Very low72 Ų72129.4 Ų129.474%0.74280%0.802SS**  trans-88.3121173.400000112S46S46-G48 PolarHBondContact O-N 3.21Å; S46-G48 VanDerWaalsContact O-N 3.14Å
49R46.4Very low44.7Very low246 Ų246126.8 Ų126.893%0.92880%0.795SS**  trans-31.2125.3170-167.9175.7-176.2-146.22.6114
50A44.7Very low45.1Very low86 Ų86122.3 Ų122.371%0.71180%0.798SS**PPolyproline II helixtrans-62.3139.4174.900000111.4
51P52.8Low45.4Very low117 Ų117123.1 Ų123.176%0.7680%0.796SS**PPolyproline II helixtrans-67.8151.2172.127.4-31.6000110.9
52P56.7Low46.1Very low119 Ų119121.5 Ų121.577%0.77378%0.784SS**PPolyproline II helixtrans-65.3150.4179.327.8-32.9000111.1
53P51.3Low46.7Very low128 Ų128120.3 Ų120.383%0.83178%0.78SS**PPolyproline II helixtrans-65.6139.9179.826.9-32.9000111.2
54A51.9Low47Very low89 Ų89123.4 Ų123.474%0.73679%0.789SS**PPolyproline II helixtrans-61.8148.3174.300000111.6
55P48.3Very low47.3Very low127 Ų127127.7 Ų127.783%0.82579%0.788SS**PPolyproline II helixtrans-61.7143.8177.325.4-32.5000111.4
56A51.2Low47.7Very low92 Ų92130.3 Ų130.376%0.7679%0.793SS**PPolyproline II helixtrans-63.6141.1-176.100000112S58A56-S58 PolarHBondContact O-N 3.11Å
57P47Very low48.1Very low98 Ų98132.2 Ų132.264%0.63679%0.792SS**PPolyproline II helixtrans-67.8131.1168.127.4-30.9000109.7G59P57-G59 PolarHBondContact O-N 3.05Å
58S55.9Low48Very low138 Ų138132.8 Ų132.897%0.96579%0.787SS**SBendtrans-71.572.8171.251.70000110.5A56A56-S58 PolarHBondContact O-N 3.11Å
59G43.4Very low48.5Very low56 Ų56137.1 Ų137.158%0.57779%0.792SS**  trans-143.4122.917500000110.2P57 D61P57-G59 PolarHBondContact O-N 3.05Å; G59-D61 PolarHBondContact O-N 3.43Å
60C44.9Very low48.6Very low144 Ų144136.4 Ų136.497%0.97379%0.789SS**  trans-75.347.2-178.1-64.90000113.2
61D41.3Very low48.8Very low141 Ų141144 Ų14475%0.75480%0.799SS**  trans-107.5108.5176.2-148.7-4.4000109.9G59 R63G59-D61 PolarHBondContact O-N 3.43Å; D61-R63 PolarHBondContact O-N 2.74Å; D61-R63 VanDerWaalsContact O-N 3.1Å
62P46.6Very low48.4Very low100 Ų100142.4 Ų142.465%0.64980%0.796SS**  trans-68.1113.8-175.725.7-30.6000109.9L64P62-L64 PolarHBondContact O-N 2.7Å
63R48.5Very low47.9Very low214 Ų214148.2 Ų148.281%0.80880%0.802SS**  trans-56.2103.3174.6-70.6-174174.5172.2-1.1110.7D61 R65D61-R63 PolarHBondContact O-N 2.74Å; D61-R63 VanDerWaalsContact O-N 3.1Å; R63-R65 PolarHBondContact O-N 2.88Å; R63-R65 VanDerWaalsContact O-N 3.15Å
64L46.4Very low47.6Very low169 Ų169147.7 Ų147.789%0.88580%0.802SS**  trans-64.9112.2172.8-64.3175.8000109.2P62P62-L64 PolarHBondContact O-N 2.7Å
65R51.6Low47.5Very low227 Ų227151.1 Ų151.186%0.85781%0.807SS**  trans-75.1142.8173.7-69.9-174.4176.7-173.1-0.2109.8R63 I67R63-R65 PolarHBondContact O-N 2.88Å; R63-R65 VanDerWaalsContact O-N 3.15Å; R65-I67 PolarHBondContact O-N 2.7Å
66P44Very low47.4Very low120 Ų120150.9 Ų150.978%0.77981%0.805SS**  trans-63.8126.1173.7-7.218.7000110.1I68P66-I68 PolarHBondContact O-N 3.05Å; P66-I68 VanDerWaalsContact O-N 3.08Å
67I51.8Low47.1Very low156 Ų156151.4 Ų151.480%0.880%0.804SS**  trans-72101.5176.6-61.6167.9000108R65 L69R65-I67 PolarHBondContact O-N 2.7Å; I67-L69 PolarHBondContact O-N 2.95Å; I67-L69 VanDerWaalsContact O-N 3.09Å
68I46.5Very low47.1Very low150 Ų150150 Ų15077%0.76980%0.796SS**  trans-69.5105168.7-60.2174.4000107.4P66 R70P66-I68 PolarHBondContact O-N 3.05Å; P66-I68 VanDerWaalsContact O-N 3.08Å; I68-R70 PolarHBondContact O-N 3.37Å
69L48.1Very low46.7Very low162 Ų162149.1 Ų149.185%0.84879%0.787SS**  trans-62.891.7175.8-84.5155.2000111I67I67-L69 PolarHBondContact O-N 2.95Å; I67-L69 VanDerWaalsContact O-N 3.09Å
70R48.1Very low47Very low231 Ų231154.8 Ų154.887%0.87280%0.798SS**  trans-78.8116.4156.3-74.2-172.8175.1178.5-0.6107.8I68 A72I68-R70 PolarHBondContact O-N 3.37Å; R70-A72 PolarHBondContact O-N 3.07Å; R70-A72 VanDerWaalsContact O-N 3.09Å
71R47.9Very low47.3Very low247 Ų247155 Ų15593%0.93278%0.779SS**  trans-59.3113.6170.4-81.1-175.2-174.4175.12.5109R73R71-R73 PolarHBondContact O-N 2.83Å
72A44.6Very low47.5Very low82 Ų82159.7 Ų159.768%0.67879%0.786SS**PPolyproline II helixtrans-67.3127.7171.700000109.4R70R70-A72 PolarHBondContact O-N 3.07Å; R70-A72 VanDerWaalsContact O-N 3.09Å
73R47.4Very low47.6Very low241 Ų241163.6 Ų163.691%0.90980%0.796SS**PPolyproline II helixtrans-74.6125.2166.6-71.8-179.5171.8-178.4-2.9107.3R71 L75R71-R73 PolarHBondContact O-N 2.83Å; R73-L75 PolarHBondContact O-N 2.79Å
74S43.7Very low47.6Very low118 Ų118163.1 Ų163.183%0.82580%0.799SS**PPolyproline II helixtrans-64.5129.6179.749.70000111.2
75L50Low47.6Very low160 Ų160158.9 Ų158.984%0.83879%0.788SS**PPolyproline II helixtrans-74.1150170.5-69.5171.8000111R73R73-L75 PolarHBondContact O-N 2.79Å
76P45.4Very low47.4Very low122 Ų122153.6 Ų153.679%0.79279%0.794SS**PPolyproline II helixtrans-68.2142.7176.426.7-31.6000111.8S78P76-S78 PolarHBondContact O-N 3.16Å
77S46.3Very low47.4Very low104 Ų104150.9 Ų150.973%0.72779%0.787SS**PPolyproline II helixtrans-72.1122.8-178.955.10000112
78S47.1Very low47.1Very low67 Ų67147.9 Ų147.947%0.46979%0.786SS.*PPolyproline II helixtrans-72.5151.3172.360.40000112.3P76 E80 R81P76-S78 PolarHBondContact O-N 3.16Å; S78-E80 VanDerWaalsContact C-N 3.29Å; S78-E80 PolarHBondContact O-N 3.36Å; S78-R81 WeakPolarHBondContact O-CB 3.36Å; S78-R81 PolarHBondContact O-N 3.26Å
79P47.6Very low47.2Very low121 Ų121147.2 Ų147.279%0.78679%0.791SS**G310 helixtrans-69.6-18.3-172.926.4-33.6000114.6R81 R82P79-R81 PolarHBondContact O-N 3.38Å; P79-R82 PolarHBondContact O-N 3.1Å
80E48.3Very low47.4Very low175 Ų175142.6 Ų142.682%0.81878%0.783SS**G310 helixtrans-65.9-15175-76.9173.1132.400113.4S78 R82S78-E80 VanDerWaalsContact C-N 3.29Å; S78-E80 PolarHBondContact O-N 3.36Å; E80-R82 PolarHBondContact O-N 3.17Å
81R52.1Low47.6Very low148 Ų148136.8 Ų136.856%0.55878%0.784SS**G310 helixtrans-75.5-4.9-180-166.4175.2-98.3-118.51.7113.9S78 P79 L109 G110S78-R81 WeakPolarHBondContact O-CB 3.36Å; S78-R81 PolarHBondContact O-N 3.26Å; P79-R81 PolarHBondContact O-N 3.38Å; R81-L109 PolarHBondContact NH2-O 2.81Å; R81-G110 PolarHBondContact NH1-O 2.86Å
82R46.3Very low47.8Very low239 Ų239129.9 Ų129.990%0.90278%0.78SS**G310 helixtrans-82.6-17.1-176.3-155.1175.5-164.2-136.43.2114.7P79 E80P79-R82 PolarHBondContact O-N 3.1Å; E80-R82 PolarHBondContact O-N 3.17Å
83Q48.9Very low48.2Very low183 Ų183131.1 Ų131.186%0.85578%0.782SS**SBendtrans-100.2-6.3-164.9-81.4-178-1.300117.2
84K47.6Very low48.6Very low203 Ų203130.1 Ų130.188%0.88378%0.779SS**  trans-134.886.9178.8-83.8-177.4175.8176.60112.7
85A45.6Very low48.9Very low80 Ų80131.2 Ų131.266%0.66178%0.783SS**  trans-165.684149.800000109.5G87A85-G87 PolarHBondContact O-N 3.34Å
86A48Very low49.2Very low117 Ų117127.6 Ų127.697%0.96778%0.784SS**  trans-7381.915700000107.6
87G44.7Very low49.5Very low62 Ų62125.1 Ų125.164%0.63977%0.769SS**  trans-86.6147.7171.100000110.8A85A85-G87 PolarHBondContact O-N 3.34Å
88A45.3Very low50.1Low94 Ų94125.9 Ų125.978%0.77778%0.775SS**  trans-47.4147.6-179.400000114G90A88-G90 PolarHBondContact O-N 2.84Å
89P48.7Very low50.3Low135 Ų135132.8 Ų132.888%0.87779%0.79SS**  trans-68.6101.6179.927.7-31.8000110
90G52.3Low50.7Low66 Ų66135.9 Ų135.968%0.6879%0.794SS**PPolyproline II helixtrans-65.5149.6165.100000110.7A88 A92A88-G90 PolarHBondContact O-N 2.84Å; G90-A92 PolarHBondContact O-N 3.26Å
91A51.5Low51Low108 Ų108135.2 Ų135.289%0.89380%0.796SS**PPolyproline II helixtrans-47.9128-17500000113.1C93A91-C93 PolarHBondContact O-N 2.96Å
92A53.1Low51.4Low103 Ų103137.1 Ų137.185%0.85180%0.803SS**PPolyproline II helixtrans-65.4128.617900000110.8G90G90-A92 PolarHBondContact O-N 3.26Å
93C51.7Low52.2Low107 Ų107131.7 Ų131.772%0.72380%0.796SS**PPolyproline II helixtrans-82.3152.4171.2-145.50000110A91A91-C93 PolarHBondContact O-N 2.96Å
94R57.3Low53.1Low221 Ų221129.9 Ų129.983%0.83478%0.781SS**PPolyproline II helixtrans-59.6155.5-173.7-75-175.5173.4-175.5-1.9113.4G96R94-G96 PolarHBondContact O-N 2.89Å
95P49.1Very low54.3Low140 Ų140128 Ų12891%0.90977%0.773SS**THydrogen-bonded Turntrans-63.2125.4-178-14.328.2000110.9
96G56.1Low55.9Low84 Ų84126.4 Ų126.487%0.86676%0.76SS**THydrogen-bonded Turntrans115.8-0.8177.700000116.3R94 S98R94-G96 PolarHBondContact O-N 2.89Å; G96-S98 PolarHBondContact O-N 2.99Å
97C51.5Low57Low71 Ų71123.8 Ų123.848%0.4873%0.73SS.*  trans-86.2109.1178.3-157.40000112R99C97-R99 PolarHBondContact O-N 2.96Å
98S58.6Low58.3Low120 Ų120125.5 Ų125.584%0.83974%0.738SS**  trans-78.832.3175.457.30000114G96 Q100G96-S98 PolarHBondContact O-N 2.99Å; S98-Q100 PolarHBondContact O-N 2.77Å
99R52.5Low59.5Low212 Ų212127.3 Ų127.380%0.873%0.734SS**  trans-96.469.2179.2-66.4-179.373.3-179.13.1111C97 L101C97-R99 PolarHBondContact O-N 2.96Å; R99-L101 PolarHBondContact O-N 3.13Å
100Q55.4Low60.4Low185 Ų185122.1 Ų122.186%0.86471%0.705SS**  trans-75.8-3.4168.2-69.7-167.2-1.700113.4S98 R102S98-Q100 PolarHBondContact O-N 2.77Å; Q100-R102 PolarHBondContact O-N 3.37Å; Q100-R102 VanDerWaalsContact O-N 3.13Å
101L55.8Low61.4Low162 Ų162123.9 Ų123.985%0.84870%0.698SS**  trans-80.795.3176.1-63.1174000110R99R99-L101 PolarHBondContact O-N 3.13Å
102R60Low62.4Low188 Ų188125.4 Ų125.471%0.70969%0.687SS**  trans-90113.5169.6-7017766.6-178.34.6109.1Q100Q100-R102 PolarHBondContact O-N 3.37Å; Q100-R102 VanDerWaalsContact O-N 3.13Å
103V63.1Low63.1Low124 Ų124126.2 Ų126.275%0.75268%0.676SS**  trans-78.8124.7168.4-1770000107.5
104R67.8Low63.6Low146 Ų146123.8 Ų123.855%0.55166%0.664SS**  trans-117.7139.8168.8-66.9-167.7-176.9-163.63.8108.4
105F71.4Confident64Low163 Ų163122.1 Ų122.172%0.71567%0.665SS**  trans-89.3124.9172.7-64.6-88000108.3L113F105-L113 HydrophobicContact CB-CD1 4.01Å
106A79.2Confident64.9Low47 Ų47121.4 Ų121.439%0.38866%0.658SS.*BIsolated β-bridgetrans-138.4155.7-176.500000110.5L111A106-L111 CarbonylContact C-O 3.36Å; A106-L111 WeakPolarHBondContact CA-O 3.27Å; A106-L111 WeakPolarHBondContact CB-O 3.33Å
107D72.4Confident65.4Low61 Ų61123 Ų12333%0.32664%0.641SS.*  trans-68.6179.8174.6735.4000111.8L109 G110 L111 L113D107-L109 PolarHBondContact O-N 2.87Å; D107-L109 VanDerWaalsContact O-N 3.09Å; D107-L109 VanDerWaalsContact OD1-C 3.3Å; D107-L109 VanDerWaalsContact OD1-CA 3.31Å; D107-L109 WeakPolarHBondContact OD1-CA 3.32Å; D107-L109 WeakPolarHBondContact OD1-CB 3.47Å; D107-L109 PolarHBondContact OD1-N 2.87Å; D107-G110 WeakPolarHBondContact O-CA 3.31Å; D107-G110 PolarHBondContact O-N 3.29Å; D107-G110 PolarHBondContact OD1-N 2.88Å; D107-L111 PolarHBondContact N-O 2.88Å; D107-L111 PolarHBondContact OD1-N 2.64Å; D107-L113 HydrophobicContact CB-CD2 3.85Å
108A71.9Confident66.3Low98 Ų98124.8 Ų124.881%0.8165%0.65SS**THydrogen-bonded Turntrans-61.9-16.6179.600000113.9
109L70.1Confident67Low132 Ų132125.5 Ų125.569%0.69164%0.638SS**THydrogen-bonded Turntrans-95.40.5175.1-56.1178.3000112R81 D107 L111R81-L109 PolarHBondContact NH2-O 2.81Å; D107-L109 PolarHBondContact O-N 2.87Å; D107-L109 VanDerWaalsContact O-N 3.09Å; D107-L109 VanDerWaalsContact OD1-C 3.3Å; D107-L109 VanDerWaalsContact OD1-CA 3.31Å; D107-L109 WeakPolarHBondContact OD1-CA 3.32Å; D107-L109 WeakPolarHBondContact OD1-CB 3.47Å; D107-L109 PolarHBondContact OD1-N 2.87Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 HydrophobicContact CB-CG 4.42Å
110G67.8Low68.2Low26 Ų26120.2 Ų120.227%0.26863%0.626SS.*SBendtrans73.921.4-179.100000113.6R81 D107R81-G110 PolarHBondContact NH1-O 2.86Å; D107-G110 WeakPolarHBondContact O-CA 3.31Å; D107-G110 PolarHBondContact O-N 3.29Å; D107-G110 PolarHBondContact OD1-N 2.88Å
111L73.3Confident69Low104 Ų104117.1 Ų117.155%0.54563%0.632SS.*  trans-88.8150.2171.7-59.3175.8000110.3A106 D107 L109 L113A106-L111 CarbonylContact C-O 3.36Å; A106-L111 WeakPolarHBondContact CA-O 3.27Å; A106-L111 WeakPolarHBondContact CB-O 3.33Å; D107-L111 PolarHBondContact N-O 2.88Å; D107-L111 PolarHBondContact OD1-N 2.64Å; L109-L111 VanDerWaalsContact C-N 3.33Å; L109-L111 HydrophobicContact CB-CG 4.42Å; L111-L113 PolarHBondContact O-N 2.87Å
112E72.5Confident69.8Low139 Ų139112.9 Ų112.965%0.6563%0.628SS**BIsolated β-bridgetrans-62132.2-177.7-167.8162.6-162.900111.3A114E112-A114 PolarHBondContact O-N 2.91Å; E112-A114 VanDerWaalsContact O-N 3.13Å
113L68.5Low70.7Confident120 Ų120107.9 Ų107.963%0.62862%0.615SS**SBendtrans-69-7.2-178.6-73.7173.4000113.9F105 D107 L111F105-L113 HydrophobicContact CB-CD1 4.01Å; D107-L113 HydrophobicContact CB-CD2 3.85Å; L111-L113 PolarHBondContact O-N 2.87Å
114A61.7Low71.2Confident57 Ų57109.4 Ų109.447%0.47162%0.619SS.*  trans-119.6114.9-178.800000109.6E112E112-A114 PolarHBondContact O-N 2.91Å; E112-A114 VanDerWaalsContact O-N 3.13Å
115Q65.2Low71.4Confident185 Ų185107.2 Ų107.286%0.86462%0.623SS**  trans-93.9101.2163.8-172.6177.116.600107.7K117Q115-K117 PolarHBondContact O-N 2.92Å
116V67.9Low71.6Confident125 Ų125103.9 Ų103.976%0.75862%0.62SS**  trans-85101.2174.5-176.40000107.9V118V116-V118 HydrophobicContact CG1-CG2 4.12Å
117K66Low71.5Confident118 Ų118105 Ų10551%0.51362%0.622SS.*  trans-94.7108.4169.1-172.3171.2176.3-1760108Q115 F119Q115-K117 PolarHBondContact O-N 2.92Å; K117-F119 HydrophobicContact CB-CE2 4.08Å; K117-F119 HydrophobicContact CB-CZ 4.37Å; K117-F119 HydrophobicContact CD-CE1 3.9Å; K117-F119 HydrophobicContact CD-CE2 4.11Å; K117-F119 HydrophobicContact CD-CZ 3.54Å; K117-F119 HydrophobicContact CG-CD2 4.39Å; K117-F119 HydrophobicContact CG-CE1 4.27Å; K117-F119 HydrophobicContact CG-CE2 3.9Å; K117-F119 HydrophobicContact CG-CZ 3.85Å; K117-F119 WeakPolarHBondContact O-CD2 3.17Å
118V70.6Confident72.1Confident109 Ų109105.2 Ų105.266%0.66163%0.627SS**PPolyproline II helixtrans-82.2123.1173.2-175.80000107.2V116V116-V118 HydrophobicContact CG1-CG2 4.12Å
119F73.1Confident72.4Confident134 Ų134107.4 Ų107.459%0.58862%0.624SS**PPolyproline II helixtrans-100.1129175-63.9-93.7000108.4K117K117-F119 HydrophobicContact CB-CE2 4.08Å; K117-F119 HydrophobicContact CB-CZ 4.37Å; K117-F119 HydrophobicContact CD-CE1 3.9Å; K117-F119 HydrophobicContact CD-CE2 4.11Å; K117-F119 HydrophobicContact CD-CZ 3.54Å; K117-F119 HydrophobicContact CG-CD2 4.39Å; K117-F119 HydrophobicContact CG-CE1 4.27Å; K117-F119 HydrophobicContact CG-CE2 3.9Å; K117-F119 HydrophobicContact CG-CZ 3.85Å; K117-F119 WeakPolarHBondContact O-CD2 3.17Å
120N79.2Confident72.8Confident101 Ų101107.1 Ų107.154%0.5462%0.619SS.*PPolyproline II helixtrans-91.9153.1170.9-55.3-75.8000109.8G122 D123N120-G122 PolarHBondContact O-N 2.81Å; N120-D123 VanDerWaalsContact CB-OD2 3.29Å; N120-D123 WeakPolarHBondContact CB-OD2 3.34Å; N120-D123 PolarHBondContact N-OD2 2.97Å; N120-D123 PolarHBondContact ND2-OD2 2.95Å; N120-D123 PolarHBondContact O-N 2.9Å
121A71.8Confident73.3Confident121 Ų121108.4 Ų108.4100%162%0.622SS**THydrogen-bonded Turntrans-62.7-13.3-178.600000114.4
122G72.8Confident73.6Confident73 Ų73107.5 Ų107.575%0.75362%0.617SS**THydrogen-bonded Turntrans-106.25174.700000114.7N120N120-G122 PolarHBondContact O-N 2.81Å
123D79.5Confident73.8Confident82 Ų82103.5 Ų103.544%0.43961%0.605SS.*SBendtrans-86121.6176.6-66.2-29.3000109.8N120N120-D123 VanDerWaalsContact CB-OD2 3.29Å; N120-D123 WeakPolarHBondContact CB-OD2 3.34Å; N120-D123 PolarHBondContact N-OD2 2.97Å; N120-D123 PolarHBondContact ND2-OD2 2.95Å; N120-D123 PolarHBondContact O-N 2.9Å
124D71.8Confident74Confident156 Ų156106.7 Ų106.783%0.83461%0.608SS**PPolyproline II helixtrans-66.6127.9174.1-76.7-26.9000110.6S126D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 VanDerWaalsContact O-N 3.15Å
125P73.5Confident74.5Confident100 Ų100109 Ų10965%0.64961%0.612SS**PPolyproline II helixtrans-67.4117.4179.926.3-32.6000110.3V127P125-V127 PolarHBondContact O-N 2.77Å
126S74.9Confident74.6Confident93 Ų93102.2 Ų102.265%0.6559%0.588SS**  trans-75.195.3173.857.50000111.1D124 P128D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 VanDerWaalsContact O-N 3.15Å; S126-P128 WeakPolarHBondContact O-CD 3.3Å
127V78Confident74.7Confident70 Ų70100.8 Ų100.842%0.42458%0.575SS.*  trans-76.1121.4175.2-175.90000109.2P125 V131 L132P125-V127 PolarHBondContact O-N 2.77Å; V127-V131 HydrophobicContact CG1-CB 3.78Å; V127-V131 HydrophobicContact CG1-CG1 3.83Å; V127-L132 HydrophobicContact CB-CD2 4.18Å; V127-L132 HydrophobicContact CB-CG 4.29Å; V127-L132 HydrophobicContact CG1-CD2 3.81Å; V127-L132 HydrophobicContact CG1-CG 3.89Å
128P83.9Confident74.5Confident67 Ų6799.7 Ų99.744%0.43558%0.575SS.*  trans-60.3142.7178.7-25.435.5000112.6S126 H130 V131 L132S126-P128 WeakPolarHBondContact O-CD 3.3Å; P128-H130 WeakPolarHBondContact CB-CE1 3.38Å; P128-H130 WeakPolarHBondContact CB-ND1 3.39Å; P128-H130 PolarHBondContact O-N 3.49Å; P128-H130 VanDerWaalsContact O-N 3.07Å; P128-V131 HydrophobicContact CB-CG2 4.32Å; P128-V131 HydrophobicContact CG-CG2 4.49Å; P128-V131 WeakPolarHBondContact O-CA 3.36Å; P128-V131 WeakPolarHBondContact O-CB 3.49Å; P128-V131 PolarHBondContact O-N 3.38Å; P128-L132 PolarHBondContact O-N 3Å
129L78.1Confident73.9Confident143 Ų14397 Ų9775%0.74956%0.56SS**Hα-helixtrans-56.5-29.6-177.2-67.1174.6000114.2V131 L132 S133L129-V131 VanDerWaalsContact C-N 3.26Å; L129-V131 PolarHBondContact O-N 2.77Å; L129-L132 HydrophobicContact CD2-CD1 4.39Å; L129-L132 PolarHBondContact O-N 3.23Å; L129-S133 WeakPolarHBondContact O-CB 3.15Å; L129-S133 PolarHBondContact O-N 3.04Å; L129-S133 PolarHBondContact O-OG 2.82Å
130H79.8Confident73.1Confident126 Ų12695.6 Ų95.658%0.58356%0.559SS**Hα-helixtrans-68.5-26.3176.569.8-94.3000112.9P128 S133 R134P128-H130 WeakPolarHBondContact CB-CE1 3.38Å; P128-H130 WeakPolarHBondContact CB-ND1 3.39Å; P128-H130 PolarHBondContact O-N 3.49Å; P128-H130 VanDerWaalsContact O-N 3.07Å; H130-S133 VanDerWaalsContact CA-OG 3.22Å; H130-S133 WeakPolarHBondContact CA-OG 3.43Å; H130-S133 PolarHBondContact O-OG 2.9Å; H130-S133 VanDerWaalsContact O-OG 3.13Å; H130-R134 WeakPolarHBondContact O-CB 3.48Å; H130-R134 PolarHBondContact O-N 2.97Å
131V77.4Confident71.9Confident54 Ų5496.1 Ų96.133%0.32756%0.562SS.*Hα-helixtrans-77-46.9174.5-178.20000109.3V127 P128 L129 S133 R134 L135V127-V131 HydrophobicContact CG1-CB 3.78Å; V127-V131 HydrophobicContact CG1-CG1 3.83Å; P128-V131 HydrophobicContact CB-CG2 4.32Å; P128-V131 HydrophobicContact CG-CG2 4.49Å; P128-V131 WeakPolarHBondContact O-CA 3.36Å; P128-V131 WeakPolarHBondContact O-CB 3.49Å; P128-V131 PolarHBondContact O-N 3.38Å; L129-V131 VanDerWaalsContact C-N 3.26Å; L129-V131 PolarHBondContact O-N 2.77Å; V131-S133 VanDerWaalsContact C-N 3.35Å; V131-S133 PolarHBondContact O-N 2.9Å; V131-R134 PolarHBondContact O-N 3.17Å; V131-L135 HydrophobicContact CG1-CD1 4.02Å; V131-L135 HydrophobicContact CG1-CG 4.49Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 2.85Å
132L78.6Confident70.7Confident84 Ų8494.2 Ų94.244%0.4454%0.54SS..Hα-helixtrans-60.7-43.1176.8-64.8176.9000111.9V127 P128 L129 L135 A136V127-L132 HydrophobicContact CB-CD2 4.18Å; V127-L132 HydrophobicContact CB-CG 4.29Å; V127-L132 HydrophobicContact CG1-CD2 3.81Å; V127-L132 HydrophobicContact CG1-CG 3.89Å; P128-L132 PolarHBondContact O-N 3Å; L129-L132 HydrophobicContact CD2-CD1 4.39Å; L129-L132 PolarHBondContact O-N 3.23Å; L132-L135 PolarHBondContact O-N 3.26Å; L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 3Å
133S76.8Confident69.4Low56 Ų5695.8 Ų95.839%0.39254%0.538SS..Hα-helixtrans-65.6-38.7175.649.70000112.8L129 H130 V131 A136 I137L129-S133 WeakPolarHBondContact O-CB 3.15Å; L129-S133 PolarHBondContact O-N 3.04Å; L129-S133 PolarHBondContact O-OG 2.82Å; H130-S133 VanDerWaalsContact CA-OG 3.22Å; H130-S133 WeakPolarHBondContact CA-OG 3.43Å; H130-S133 PolarHBondContact O-OG 2.9Å; H130-S133 VanDerWaalsContact O-OG 3.13Å; V131-S133 VanDerWaalsContact C-N 3.35Å; V131-S133 PolarHBondContact O-N 2.9Å; S133-A136 PolarHBondContact O-N 2.8Å; S133-I137 WeakPolarHBondContact O-CB 3.32Å; S133-I137 WeakPolarHBondContact O-CD1 2.99Å; S133-I137 WeakPolarHBondContact O-CG1 3.43Å; S133-I137 PolarHBondContact O-N 3.26Å
134R72.4Confident67.9Low186 Ų18696.2 Ų96.270%0.70255%0.548SS*.Hα-helixtrans-65.3-40.6172.9-88.9-164.4161-178.8-4.2112.9H130 V131 N138H130-R134 WeakPolarHBondContact O-CB 3.48Å; H130-R134 PolarHBondContact O-N 2.97Å; V131-R134 PolarHBondContact O-N 3.17Å; R134-N138 WeakPolarHBondContact O-CB 3.46Å; R134-N138 PolarHBondContact O-N 3.36Å; R134-N138 PolarHBondContact O-ND2 2.85Å
135L72.4Confident66.9Low106 Ų10691.2 Ų91.256%0.55553%0.525SS*.Hα-helixtrans-63.8-43.3175.3-71.3168.8000111V131 L132 N138 S139V131-L135 HydrophobicContact CG1-CD1 4.02Å; V131-L135 HydrophobicContact CG1-CG 4.49Å; V131-L135 WeakPolarHBondContact O-CG 3.3Å; V131-L135 PolarHBondContact O-N 2.85Å; L132-L135 PolarHBondContact O-N 3.26Å; L135-N138 PolarHBondContact O-N 2.89Å; L135-S139 WeakPolarHBondContact O-CB 3.38Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 3.4Å
136A68.8Low65.9Low43 Ų4394.5 Ų94.536%0.35553%0.531SS..Hα-helixtrans-63.4-44.3176.400000112.6L132 S133 N138 S139 D140L132-A136 WeakPolarHBondContact O-CB 3.42Å; L132-A136 PolarHBondContact O-N 3Å; S133-A136 PolarHBondContact O-N 2.8Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 3.22Å; A136-S139 VanDerWaalsContact CA-OG 3.28Å; A136-S139 WeakPolarHBondContact CA-OG 3.44Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 3.42Å; A136-D140 WeakPolarHBondContact O-CB 3.25Å; A136-D140 PolarHBondContact O-N 2.88Å
137I69.8Low64.8Low95 Ų9595.3 Ų95.349%0.48753%0.529SS..Hα-helixtrans-62.5-42175.9-69.2161.7000110.6S133 D140 L141S133-I137 WeakPolarHBondContact O-CB 3.32Å; S133-I137 WeakPolarHBondContact O-CD1 2.99Å; S133-I137 WeakPolarHBondContact O-CG1 3.43Å; S133-I137 PolarHBondContact O-N 3.26Å; I137-D140 PolarHBondContact O-N 3.28Å; I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 VanDerWaalsContact O-CD1 3.23Å; I137-L141 WeakPolarHBondContact O-CD1 3.06Å; I137-L141 PolarHBondContact O-N 2.87Å
138N60.8Low63.5Low94 Ų9496 Ų9650%0.50353%0.529SS..Hα-helixtrans-68.9-36.9177.7-70.3-10000111.7R134 L135 A136 L141 C142R134-N138 WeakPolarHBondContact O-CB 3.46Å; R134-N138 PolarHBondContact O-N 3.36Å; R134-N138 PolarHBondContact O-ND2 2.85Å; L135-N138 PolarHBondContact O-N 2.89Å; A136-N138 VanDerWaalsContact C-N 3.32Å; A136-N138 PolarHBondContact O-N 3.22Å; N138-L141 PolarHBondContact O-N 3.08Å; N138-C142 WeakPolarHBondContact O-CB 3.25Å; N138-C142 PolarHBondContact O-N 2.85Å; N138-C142 PolarHBondContact O-SG 2.61Å
139S59.4Low62.1Low52 Ų5298.7 Ų98.736%0.36454%0.536SS..Hα-helixtrans-67.1-39.7174.360.90000111.5L135 A136 C142 C143L135-S139 WeakPolarHBondContact O-CB 3.38Å; L135-S139 PolarHBondContact O-N 2.87Å; L135-S139 PolarHBondContact O-OG 3.4Å; A136-S139 VanDerWaalsContact CA-OG 3.28Å; A136-S139 WeakPolarHBondContact CA-OG 3.44Å; A136-S139 PolarHBondContact O-N 2.88Å; A136-S139 PolarHBondContact O-OG 3.42Å; S139-C142 CarbonylContact O-C 3.58Å; S139-C142 PolarHBondContact O-N 3.23Å; S139-C143 VanDerWaalsContact O-CB 3.24Å; S139-C143 WeakPolarHBondContact O-CB 3.08Å; S139-C143 PolarHBondContact O-N 3.33Å; S139-C143 PolarHBondContact O-SG 2.69Å
140D55.4Low61.4Low105 Ų10596.5 Ų96.556%0.56152%0.521SS*.Hα-helixtrans-68.9-35.1177.7-68.3-16.7000111.9A136 I137 C143 S144A136-D140 WeakPolarHBondContact O-CB 3.25Å; A136-D140 PolarHBondContact O-N 2.88Å; I137-D140 PolarHBondContact O-N 3.28Å; D140-C143 PolarHBondContact O-N 2.93Å; D140-S144 VanDerWaalsContact O-CB 3.23Å; D140-S144 WeakPolarHBondContact O-CB 3.47Å; D140-S144 PolarHBondContact O-N 2.8Å; D140-S144 PolarHBondContact O-OG 2.72Å
141L53.4Low61Low113 Ų11394 Ų9459%0.59251%0.514SS*.Hα-helixtrans-65.4-38.7169.7-98.783.5000112I137 N138 S144 S145I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 VanDerWaalsContact O-CD1 3.23Å; I137-L141 WeakPolarHBondContact O-CD1 3.06Å; I137-L141 PolarHBondContact O-N 2.87Å; N138-L141 PolarHBondContact O-N 3.08Å; L141-S144 PolarHBondContact O-OG 2.79Å; L141-S145 PolarHBondContact O-OG 2.76Å
142C48Very low61.1Low81 Ų8196 Ų9655%0.54752%0.523SS..Hα-helixtrans-72.5-31.5176.8-67.50000113N138 S139 S145N138-C142 WeakPolarHBondContact O-CB 3.25Å; N138-C142 PolarHBondContact O-N 2.85Å; N138-C142 PolarHBondContact O-SG 2.61Å; S139-C142 CarbonylContact O-C 3.58Å; S139-C142 PolarHBondContact O-N 3.23Å; C142-S145 PolarHBondContact O-OG 3.48Å
143C44.2Very low61.4Low105 Ų10597.3 Ų97.371%0.70953%0.527SS*.Hα-helixtrans-88.3-17.9-178.4-68.50000113.9S139 D140S139-C143 VanDerWaalsContact O-CB 3.24Å; S139-C143 WeakPolarHBondContact O-CB 3.08Å; S139-C143 PolarHBondContact O-N 3.33Å; S139-C143 PolarHBondContact O-SG 2.69Å; D140-C143 PolarHBondContact O-N 2.93Å
144S48.8Very low61.9Low92 Ų9296.7 Ų96.764%0.64352%0.522SS*.Hα-helixtrans-83.9-21.7175.952.80000113.3D140 L141 Q146D140-S144 VanDerWaalsContact O-CB 3.23Å; D140-S144 WeakPolarHBondContact O-CB 3.47Å; D140-S144 PolarHBondContact O-N 2.8Å; D140-S144 PolarHBondContact O-OG 2.72Å; L141-S144 PolarHBondContact O-OG 2.79Å; S144-Q146 PolarHBondContact O-N 2.94Å
145S50.7Low62.7Low50 Ų5088.6 Ų88.635%0.3549%0.492SS..SBendtrans-71.393.8162.730.60000109.5L141 C142 D147 L148L141-S145 PolarHBondContact O-OG 2.76Å; C142-S145 PolarHBondContact O-OG 3.48Å; S145-D147 PolarHBondContact O-N 2.7Å; S145-D147 VanDerWaalsContact O-N 3.09Å; S145-L148 WeakPolarHBondContact OG-CD1 3.49Å
146Q52.3Low63.7Low169 Ų16985.6 Ų85.679%0.7948%0.478SS*.THydrogen-bonded Turntrans-49.4117.9157.3-87.7166.88.300107.6S144S144-Q146 PolarHBondContact O-N 2.94Å
147D51.8Low64.9Low111 Ų11185.7 Ų85.759%0.59448%0.476SS*.THydrogen-bonded Turntrans70.870.6172.9-48.6-29.7000115.3S145 E149 R288S145-D147 PolarHBondContact O-N 2.7Å; S145-D147 VanDerWaalsContact O-N 3.09Å; D147-E149 PolarHBondContact O-N 3.4Å; D147-R288 IonicContact OD1-NH2 2.81Å; D147-R288 PolarHBondContact OD1-NH2 3.46Å; D147-R288 VanDerWaalsContact OD1-NH2 3.16Å
148L51.1Low66Low83 Ų8384 Ų8444%0.43547%0.467SS..  trans-68.668.6145.8-96.9114.9000108.9S145 F150S145-L148 WeakPolarHBondContact OG-CD1 3.49Å; L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 HydrophobicContact CB-CD2 4.33Å; L148-F150 HydrophobicContact CB-CE2 3.88Å; L148-F150 HydrophobicContact CB-CZ 4.3Å; L148-F150 HydrophobicContact CD2-CD1 4.44Å; L148-F150 HydrophobicContact CD2-CD2 4.48Å; L148-F150 HydrophobicContact CD2-CE1 3.59Å; L148-F150 HydrophobicContact CD2-CE2 3.64Å; L148-F150 HydrophobicContact CD2-CZ 3.14Å; L148-F150 HydrophobicContact CG-CE2 4.4Å; L148-F150 HydrophobicContact CG-CZ 4.31Å; L148-F150 WeakPolarHBondContact O-CD2 3.35Å; L148-F150 PolarHBondContact O-N 2.96Å
149E54.5Low67.4Low124 Ų12480.6 Ų80.658%0.57945%0.448SS*.  trans-70.693163.1-167.6179-167.100106.5D147 T151 A283D147-E149 PolarHBondContact O-N 3.4Å; E149-T151 HydrophobicContact CG-CG2 4.26Å; E149-T151 PolarHBondContact O-N 2.83Å; E149-T151 VanDerWaalsContact O-N 3.09Å; E149-A283 HydrophobicContact CG-CB 3.83Å; E149-A283 WeakPolarHBondContact OE1-CB 3.31Å
150F63Low68.9Low98 Ų9883 Ų8343%0.4346%0.463SS..EExtended strand (participates in β ladder)trans-70108.4170.8-66.2-85.1000107.1L148 L284 M286L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 HydrophobicContact CB-CD2 4.33Å; L148-F150 HydrophobicContact CB-CE2 3.88Å; L148-F150 HydrophobicContact CB-CZ 4.3Å; L148-F150 HydrophobicContact CD2-CD1 4.44Å; L148-F150 HydrophobicContact CD2-CD2 4.48Å; L148-F150 HydrophobicContact CD2-CE1 3.59Å; L148-F150 HydrophobicContact CD2-CE2 3.64Å; L148-F150 HydrophobicContact CD2-CZ 3.14Å; L148-F150 HydrophobicContact CG-CE2 4.4Å; L148-F150 HydrophobicContact CG-CZ 4.31Å; L148-F150 WeakPolarHBondContact O-CD2 3.35Å; L148-F150 PolarHBondContact O-N 2.96Å; F150-L284 HydrophobicContact CB-CB 4.34Å; F150-L284 WeakPolarHBondContact O-CB 3.34Å; F150-L284 PolarHBondContact O-N 2.88Å; F150-M286 HydrophobicContact CD2-CG 4.31Å; F150-M286 HydrophobicContact CE2-CE 4.45Å; F150-M286 HydrophobicContact CE2-CG 4.23Å
151T71.1Confident70.6Confident73 Ų7380.8 Ų80.845%0.44845%0.454SS..EExtended strand (participates in β ladder)trans-88.9116.1175.144.80000109E149 N281E149-T151 HydrophobicContact CG-CG2 4.26Å; E149-T151 PolarHBondContact O-N 2.83Å; E149-T151 VanDerWaalsContact O-N 3.09Å; T151-N281 HydrophobicContact CG2-CB 4.38Å
152L79.6Confident72.4Confident96 Ų9675.7 Ų75.750%0.50343%0.427SS..EExtended strand (participates in β ladder)trans-93.9129.9168.8-68.3-169.6000109.6H282 L284L152-H282 PolarHBondContact N-O 3.48Å; L152-H282 PolarHBondContact O-N 3.42Å; L152-L284 HydrophobicContact CD1-CD1 3.37Å; L152-L284 HydrophobicContact CD1-CG 4.06Å; L152-L284 HydrophobicContact CG-CD1 3.65Å; L152-L284 HydrophobicContact CG-CG 4.04Å
153Q84.5Confident74.4Confident112 Ų11274 Ų7452%0.52341%0.414SS..EExtended strand (participates in β ladder)trans-78.9121.3168.9-73.4173.7-5.900108.8L247 R280 N281Q153-L247 PolarHBondContact OE1-O 3.14Å; Q153-R280 WeakPolarHBondContact CA-O 3.37Å; Q153-N281 WeakPolarHBondContact CG-OD1 3.34Å
154C87.2Confident76.7Confident43 Ų4375.6 Ų75.629%0.29141%0.412SS..EExtended strand (participates in β ladder)trans-137151.4176.968.70000111.5C279 R280C154-C279 WeakPolarHBondContact O-CA 3.19Å; C154-R280 PolarHBondContact N-O 2.79Å; C154-R280 PolarHBondContact O-N 2.78Å
155L90.8Very high78.6Confident15 Ų1572.6 Ų72.68%0.07939%0.392CS..EExtended strand (participates in β ladder)trans-78.7125.4172.1-73.5174.1000109.8C184 I189 V242 L247 V253 L277 C279L155-C184 HydrophobicContact CB-CB 4.09Å; L155-C184 WeakPolarHBondContact O-CB 3.3Å; L155-C184 PolarHBondContact O-SG 3.4Å; L155-I189 HydrophobicContact CD1-CD1 3.81Å; L155-I189 HydrophobicContact CD1-CG1 3.86Å; L155-V242 HydrophobicContact CD1-CB 4.43Å; L155-V242 HydrophobicContact CD1-CG1 4.27Å; L155-V242 HydrophobicContact CD1-CG2 4.05Å; L155-L247 HydrophobicContact CD1-CD2 3.67Å; L155-L247 HydrophobicContact CD2-CD2 3.68Å; L155-L247 HydrophobicContact CG-CD2 3.56Å; L155-V253 HydrophobicContact CD1-CG2 4.11Å; L155-V253 HydrophobicContact CD2-CG2 4.1Å; L155-L277 HydrophobicContact CB-CB 4.41Å; L155-L277 HydrophobicContact CD2-CB 4.31Å; L155-C279 HydrophobicContact CD2-CB 4.11Å
156V91.9Very high80.5Confident43 Ų4375.6 Ų75.626%0.26142%0.42SS..EExtended strand (participates in β ladder)trans-117.6131.1179.1-176.30000109.2D158 L277 T278 R280V156-D158 PolarHBondContact O-N 2.88Å; V156-L277 WeakPolarHBondContact O-CA 3.29Å; V156-T278 PolarHBondContact N-O 3.09Å; V156-T278 PolarHBondContact O-N 2.88Å; V156-R280 HydrophobicContact CB-CG 4.46Å; V156-R280 HydrophobicContact CG2-CB 4.17Å; V156-R280 HydrophobicContact CG2-CG 4.36Å
157P93.8Very high82.4Confident46 Ų4670.6 Ų70.630%0.29940%0.398SS..EExtended strand (participates in β ladder)trans-60.1133173.8-22.132.1000112F159 V182 L277P157-F159 HydrophobicContact CB-CD1 4.2Å; P157-F159 HydrophobicContact CB-CE1 3.97Å; P157-F159 HydrophobicContact CB-CE2 4.29Å; P157-F159 HydrophobicContact CB-CG 4.47Å; P157-F159 HydrophobicContact CB-CZ 4.02Å; P157-F159 PolarHBondContact O-N 2.93Å; P157-V182 HydrophobicContact CB-CG1 4.28Å; P157-V182 HydrophobicContact CG-CG1 3.68Å; P157-L277 HydrophobicContact CB-CD2 4.03Å; P157-L277 HydrophobicContact CG-CD2 3.69Å
158D92.8Very high84.4Confident58 Ų5865.9 Ų65.931%0.3137%0.373SS..SBendtrans-88.316.7174.4-60.6-52.9000112.1V156 S276 T278 R280V156-D158 PolarHBondContact O-N 2.88Å; D158-S276 PolarHBondContact N-O 2.9Å; D158-T278 PolarHBondContact OD1-OG1 2.89Å; D158-T278 WeakPolarHBondContact OD2-CB 3.49Å; D158-T278 PolarHBondContact OD2-N 2.95Å; D158-T278 PolarHBondContact OD2-OG1 2.84Å; D158-R280 IonicContact OD1-CZ 3.53Å; D158-R280 IonicContact OD1-NE 3.49Å; D158-R280 IonicContact OD1-NH2 2.73Å; D158-R280 PolarHBondContact OD1-NH2 3.41Å
159F91.8Very high86.3Confident24 Ų2463.9 Ų63.911%0.10537%0.372CS..SBendtrans-138.7149.4-177.754.7-88.6000110.4P157 P162 L179 V182 F255 Y275 S276P157-F159 HydrophobicContact CB-CD1 4.2Å; P157-F159 HydrophobicContact CB-CE1 3.97Å; P157-F159 HydrophobicContact CB-CE2 4.29Å; P157-F159 HydrophobicContact CB-CG 4.47Å; P157-F159 HydrophobicContact CB-CZ 4.02Å; P157-F159 PolarHBondContact O-N 2.93Å; F159-P162 HydrophobicContact CD2-CG 4.04Å; F159-P162 HydrophobicContact CE2-CG 3.84Å; F159-L179 HydrophobicContact CE2-CD2 4.03Å; F159-L179 HydrophobicContact CZ-CD2 4.07Å; F159-V182 HydrophobicContact CE2-CG1 4.06Å; F159-V182 HydrophobicContact CZ-CG1 3.76Å; F159-F255 HydrophobicContact CZ-CZ 4.25Å; F159-Y275 AromaticContact CD1-CD1 3.94Å; F159-Y275 HydrophobicContact CD1-CD1 3.94Å; F159-Y275 AromaticContact CD2-CD1 3.83Å; F159-Y275 HydrophobicContact CD2-CD1 3.83Å; F159-Y275 HydrophobicContact CD2-CE1 4.07Å; F159-Y275 AromaticContact CE1-CD1 3.66Å; F159-Y275 HydrophobicContact CE1-CD1 3.66Å; F159-Y275 HydrophobicContact CE1-CG 4.23Å; F159-Y275 AromaticContact CE2-CD1 3.55Å; F159-Y275 HydrophobicContact CE2-CD1 3.55Å; F159-Y275 AromaticContact CE2-CE1 3.95Å; F159-Y275 HydrophobicContact CE2-CE1 3.95Å; F159-Y275 HydrophobicContact CG-CD1 4.02Å; F159-Y275 AromaticContact CZ-CD1 3.45Å; F159-Y275 HydrophobicContact CZ-CD1 3.45Å; F159-Y275 VanDerWaalsContact CZ-CD1 3.45Å; F159-Y275 HydrophobicContact CZ-CE1 4.29Å; F159-Y275 HydrophobicContact CZ-CG 4.16Å; F159-S276 WeakPolarHBondContact CD1-O 3.4Å; F159-S276 VanDerWaalsContact CE1-O 3.25Å; F159-S276 WeakPolarHBondContact CE1-O 3.39Å
160P90.9Very high88.2Confident103 Ų10365.2 Ų65.267%0.66938%0.378SS*.  trans-65155.9174.529.2-35.4000110.7P162P160-P162 VanDerWaalsContact O-CD 3.31Å; P160-P162 WeakPolarHBondContact O-CD 3.21Å; P160-P162 VanDerWaalsContact O-N 3.09Å
161P91.2Very high89.7Confident57 Ų5761.1 Ų61.137%0.3736%0.36SS..  trans-50.8118177.2-2634.9000111.2V163 E164P161-V163 VanDerWaalsContact C-N 3.29Å; P161-V163 PolarHBondContact O-N 2.86Å; P161-E164 HydrophobicContact CB-CB 4.28Å; P161-E164 HydrophobicContact CB-CG 4.08Å; P161-E164 PolarHBondContact O-N 3.3Å
162P90.9Very high90.9Very high6 Ų657.6 Ų57.64%0.03934%0.338CS..G310 helixtrans-59.2-37-171.3-30.537000114.4F159 P160 E164 A165 F168 L179 Y275F159-P162 HydrophobicContact CD2-CG 4.04Å; F159-P162 HydrophobicContact CE2-CG 3.84Å; P160-P162 VanDerWaalsContact O-CD 3.31Å; P160-P162 WeakPolarHBondContact O-CD 3.21Å; P160-P162 VanDerWaalsContact O-N 3.09Å; P162-E164 PolarHBondContact O-N 3.17Å; P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.43Å; P162-A165 PolarHBondContact O-N 3.33Å; P162-A165 VanDerWaalsContact O-N 3.17Å; P162-F168 VanDerWaalsContact O-CD2 3.25Å; P162-F168 WeakPolarHBondContact O-CD2 3.38Å; P162-L179 WeakPolarHBondContact CB-O 3.29Å; P162-L179 HydrophobicContact CG-CB 4.42Å; P162-L179 HydrophobicContact CG-CD2 4.04Å; P162-L179 HydrophobicContact CG-CG 4.22Å; P162-Y275 HydrophobicContact CG-CE1 4Å
163V90.2Very high91.6Very high45 Ų4558.6 Ų58.627%0.27334%0.34SS..G310 helixtrans-65.6-22.1178.467.80000113.6P161 E180P161-V163 VanDerWaalsContact C-N 3.29Å; P161-V163 PolarHBondContact O-N 2.86Å; V163-E180 HydrophobicContact CB-CG 4.03Å; V163-E180 WeakPolarHBondContact CB-O 3.28Å; V163-E180 HydrophobicContact CG2-CG 4.09Å; V163-E180 PolarHBondContact N-O 2.95Å
164E91.1Very high92.1Very high140 Ų14061.4 Ų61.465%0.65435%0.346SS*.G310 helixtrans-89-7.6178.4-65.1173.8-162.600112.2P161 P162P161-E164 HydrophobicContact CB-CB 4.28Å; P161-E164 HydrophobicContact CB-CG 4.08Å; P161-E164 PolarHBondContact O-N 3.3Å; P162-E164 PolarHBondContact O-N 3.17Å
165A90.1Very high92.4Very high28 Ų2860.5 Ų60.523%0.23134%0.338CS..SBendtrans-69133.1175.400000110.5P162 D167 F168P162-A165 VanDerWaalsContact O-CB 3.28Å; P162-A165 WeakPolarHBondContact O-CB 3.43Å; P162-A165 PolarHBondContact O-N 3.33Å; P162-A165 VanDerWaalsContact O-N 3.17Å; A165-D167 WeakPolarHBondContact CB-OD1 3.3Å; A165-D167 PolarHBondContact O-N 3.07Å; A165-F168 VanDerWaalsContact O-CB 3.25Å; A165-F168 WeakPolarHBondContact O-CB 3.4Å; A165-F168 PolarHBondContact O-N 3.35Å; A165-F168 VanDerWaalsContact O-N 3.09Å
166A90.1Very high92.7Very high113 Ų11361.2 Ų61.293%0.93434%0.342SS*.THydrogen-bonded Turntrans-61.4-28.1-176.800000113.2
167D91.8Very high93Very high64 Ų6459.2 Ų59.234%0.34233%0.329SS..THydrogen-bonded Turntrans-91.14.2-179.268.2-39.6000113.5A165 G169 E170 R171A165-D167 WeakPolarHBondContact CB-OD1 3.3Å; A165-D167 PolarHBondContact O-N 3.07Å; D167-G169 VanDerWaalsContact C-N 3.32Å; D167-G169 PolarHBondContact O-N 3.09Å; D167-E170 PolarHBondContact O-N 3.18Å; D167-R171 WeakPolarHBondContact O-CB 3.05Å; D167-R171 PolarHBondContact O-N 2.68Å; D167-R171 WeakPolarHBondContact OD2-CD 3.34Å
168F93.3Very high93.1Very high13 Ų1357 Ų576%0.05732%0.315CS..Hα-helixtrans-55.2-45.4-175.4177.2-96.2000112.8P162 A165 L172 C178 L179 E180 R194P162-F168 VanDerWaalsContact O-CD2 3.25Å; P162-F168 WeakPolarHBondContact O-CD2 3.38Å; A165-F168 VanDerWaalsContact O-CB 3.25Å; A165-F168 WeakPolarHBondContact O-CB 3.4Å; A165-F168 PolarHBondContact O-N 3.35Å; A165-F168 VanDerWaalsContact O-N 3.09Å; F168-L172 HydrophobicContact CE1-CD2 4.33Å; F168-L172 WeakPolarHBondContact O-CB 3.36Å; F168-L172 PolarHBondContact O-N 3.07Å; F168-C178 HydrophobicContact CD2-CB 4.17Å; F168-C178 HydrophobicContact CE2-CB 3.51Å; F168-C178 HydrophobicContact CZ-CB 3.98Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; F168-E180 HydrophobicContact CZ-CB 4.39Å; F168-R194 HydrophobicContact CZ-CB 4.13Å
169G92.8Very high93.4Very high40 Ų4054.2 Ų54.241%0.41230%0.3SS..Hα-helixtrans-65.5-45.3179.400000112.6D167 L172 Q173D167-G169 VanDerWaalsContact C-N 3.32Å; D167-G169 PolarHBondContact O-N 3.09Å; G169-L172 PolarHBondContact O-N 2.89Å; G169-Q173 WeakPolarHBondContact O-CG 3.1Å; G169-Q173 PolarHBondContact O-N 2.99Å
170E93.8Very high93.5Very high153 Ų15354.4 Ų54.472%0.71530%0.301SS*.Hα-helixtrans-63.4-43.3178-64.7-173.1172.700111.6D167 Q173 R174D167-E170 PolarHBondContact O-N 3.18Å; E170-Q173 PolarHBondContact O-N 2.77Å; E170-R174 VanDerWaalsContact O-CB 3.31Å; E170-R174 WeakPolarHBondContact O-CB 3.25Å; E170-R174 PolarHBondContact O-N 2.94Å
171R94.4Very high93.8Very high11 Ų1155.5 Ų55.54%0.04229%0.292CS..Hα-helixtrans-59.3-50172.6-83177.152.2-160.5-2.2110.7D167 Q173 R174 Q175 D268 Y275D167-R171 WeakPolarHBondContact O-CB 3.05Å; D167-R171 PolarHBondContact O-N 2.68Å; D167-R171 WeakPolarHBondContact OD2-CD 3.34Å; R171-Q173 VanDerWaalsContact C-N 3.26Å; R171-Q173 PolarHBondContact O-N 3.25Å; R171-R174 PolarHBondContact O-N 2.88Å; R171-Q175 WeakPolarHBondContact O-CG 3.37Å; R171-Q175 PolarHBondContact O-N 3.01Å; R171-D268 IonicContact NH2-OD1 3.33Å; R171-D268 PolarHBondContact NH2-OD1 2.76Å; R171-D268 IonicContact NH2-OD2 3.98Å; R171-Y275 PolarHBondContact NH2-OH 3.04Å
172L95.4Very high94Very high0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-56.8-42.9-178.9178.460.5000111.6F168 G169 L176 C178 R194 C196 E233F168-L172 HydrophobicContact CE1-CD2 4.33Å; F168-L172 WeakPolarHBondContact O-CB 3.36Å; F168-L172 PolarHBondContact O-N 3.07Å; G169-L172 PolarHBondContact O-N 2.89Å; L172-L176 WeakPolarHBondContact O-CA 3.39Å; L172-L176 PolarHBondContact O-N 2.77Å; L172-C178 WeakPolarHBondContact CA-SG 3.28Å; L172-C178 HydrophobicContact CB-CB 4.4Å; L172-C178 HydrophobicContact CD1-CB 4.19Å; L172-C178 PolarHBondContact N-SG 2.92Å; L172-C178 VanDerWaalsContact N-SG 3.36Å; L172-R194 HydrophobicContact CD1-CB 4.41Å; L172-R194 HydrophobicContact CD1-CG 4.47Å; L172-R194 WeakPolarHBondContact CD1-O 3.46Å; L172-R194 HydrophobicContact CD2-CB 4.3Å; L172-R194 VanDerWaalsContact CD2-CD 3.45Å; L172-R194 HydrophobicContact CD2-CG 3.75Å; L172-C196 PolarHBondContact O-SG 3.21Å; L172-C196 VanDerWaalsContact O-SG 3.42Å; L172-E233 HydrophobicContact CD2-CG 4.17Å; L172-E233 WeakPolarHBondContact CD2-OE1 3.44Å
173Q94.8Very high94.1Very high116 Ų11656.7 Ų56.754%0.54230%0.298SS..Hα-helixtrans-69.1-33.5176.7-63.9-58.8-44.500112.8G169 E170 R171G169-Q173 WeakPolarHBondContact O-CG 3.1Å; G169-Q173 PolarHBondContact O-N 2.99Å; E170-Q173 PolarHBondContact O-N 2.77Å; R171-Q173 VanDerWaalsContact C-N 3.26Å; R171-Q173 PolarHBondContact O-N 3.25Å
174R94.4Very high94.1Very high172 Ų17256.9 Ų56.965%0.64930%0.301SS*.Hα-helixtrans-74.1-45.1-179.4-176174.670.6-166.82.9113.6E170 R171 D271E170-R174 VanDerWaalsContact O-CB 3.31Å; E170-R174 WeakPolarHBondContact O-CB 3.25Å; E170-R174 PolarHBondContact O-N 2.94Å; R171-R174 PolarHBondContact O-N 2.88Å; R174-D271 IonicContact NH2-OD1 3.74Å; R174-D271 PolarHBondContact NH2-OD1 3.09Å
175Q95Very high93.8Very high24 Ų2453.2 Ų53.211%0.11229%0.291CS..Hα-helixtrans-105.8-2.8-17647.3176.343.400113.6R171 V177 C178 Y266 D268R171-Q175 WeakPolarHBondContact O-CG 3.37Å; R171-Q175 PolarHBondContact O-N 3.01Å; Q175-V177 VanDerWaalsContact CG-O 3.32Å; Q175-V177 WeakPolarHBondContact CG-O 3.44Å; Q175-V177 PolarHBondContact NE2-O 3.39Å; Q175-V177 PolarHBondContact O-N 2.77Å; Q175-C178 PolarHBondContact NE2-SG 3.37Å; Q175-Y266 VanDerWaalsContact O-CB 3.32Å; Q175-Y266 WeakPolarHBondContact O-CB 3.22Å; Q175-D268 PolarHBondContact NE2-OD1 3.42Å
176L96.9Very high93.2Very high30 Ų3058.8 Ų58.816%0.15732%0.317CS..SBendtrans63.3-3.7179-51179.3000116.1L172 V195 C196 V198 Y259 Y266L172-L176 WeakPolarHBondContact O-CA 3.39Å; L172-L176 PolarHBondContact O-N 2.77Å; L176-V195 CarbonylContact O-C 3.57Å; L176-V195 VanDerWaalsContact O-CA 3.25Å; L176-V195 WeakPolarHBondContact O-CA 3Å; L176-C196 HydrophobicContact CB-CB 4.23Å; L176-C196 HydrophobicContact CD2-CB 3.85Å; L176-C196 PolarHBondContact O-N 2.87Å; L176-V198 HydrophobicContact CD1-CG2 4.18Å; L176-Y259 HydrophobicContact CB-CD1 4.18Å; L176-Y259 HydrophobicContact CB-CE1 4.13Å; L176-Y259 WeakPolarHBondContact O-CD1 3.15Å; L176-Y266 HydrophobicContact CB-CG 4.37Å; L176-Y266 HydrophobicContact CD1-CD1 3.97Å; L176-Y266 HydrophobicContact CD1-CD2 4.09Å; L176-Y266 HydrophobicContact CD1-CE1 3.55Å; L176-Y266 HydrophobicContact CD1-CE2 3.69Å; L176-Y266 HydrophobicContact CD1-CG 4.22Å; L176-Y266 HydrophobicContact CG-CD1 4.37Å; L176-Y266 HydrophobicContact CG-CE1 4.33Å
177V97.4Very high92.7Very high0 Ų060 Ų600%031%0.307CS..EExtended strand (participates in β ladder)trans-143.4135.4177.653.90000109.3Q175 V193 R194 V195 V257 Y259 D268Q175-V177 VanDerWaalsContact CG-O 3.32Å; Q175-V177 WeakPolarHBondContact CG-O 3.44Å; Q175-V177 PolarHBondContact NE2-O 3.39Å; Q175-V177 PolarHBondContact O-N 2.77Å; V177-V193 HydrophobicContact CG2-CG1 3.59Å; V177-R194 WeakPolarHBondContact CA-O 3.37Å; V177-V195 HydrophobicContact CB-CG1 4.07Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; V177-V257 HydrophobicContact CG2-CB 4.23Å; V177-V257 HydrophobicContact CG2-CG1 3.71Å; V177-Y259 HydrophobicContact CB-CD1 4.1Å; V177-Y259 HydrophobicContact CB-CG 4.28Å; V177-D268 HydrophobicContact CG1-CB 4.17Å; V177-D268 HydrophobicContact CG2-CB 4.46Å
178C97Very high92.7Very high0 Ų057.2 Ų57.20%029%0.294CS..EExtended strand (participates in β ladder)trans-140.7138.6170.1-780000110.3F168 L172 Q175 E180 R194 D268F168-C178 HydrophobicContact CD2-CB 4.17Å; F168-C178 HydrophobicContact CE2-CB 3.51Å; F168-C178 HydrophobicContact CZ-CB 3.98Å; L172-C178 WeakPolarHBondContact CA-SG 3.28Å; L172-C178 HydrophobicContact CB-CB 4.4Å; L172-C178 HydrophobicContact CD1-CB 4.19Å; L172-C178 PolarHBondContact N-SG 2.92Å; L172-C178 VanDerWaalsContact N-SG 3.36Å; Q175-C178 PolarHBondContact NE2-SG 3.37Å; C178-E180 PolarHBondContact O-N 3.38Å; C178-R194 PolarHBondContact N-O 3.3Å; C178-R194 PolarHBondContact O-N 3.22Å; C178-D268 VanDerWaalsContact CA-OD2 3.25Å; C178-D268 WeakPolarHBondContact CA-OD2 3.5Å
179L97.3Very high92.7Very high0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-61.4129.1162.3-176.669.6000108.5F159 P162 F168 V193 F238 F255 V257 D268 Y275F159-L179 HydrophobicContact CE2-CD2 4.03Å; F159-L179 HydrophobicContact CZ-CD2 4.07Å; P162-L179 WeakPolarHBondContact CB-O 3.29Å; P162-L179 HydrophobicContact CG-CB 4.42Å; P162-L179 HydrophobicContact CG-CD2 4.04Å; P162-L179 HydrophobicContact CG-CG 4.22Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; L179-V193 HydrophobicContact CD1-CG2 4.23Å; L179-F238 HydrophobicContact CD1-CE1 3.6Å; L179-F238 HydrophobicContact CD1-CZ 3.82Å; L179-F255 HydrophobicContact CD1-CE2 4.15Å; L179-F255 HydrophobicContact CD2-CE2 3.76Å; L179-F255 HydrophobicContact CD2-CZ 3.76Å; L179-V257 HydrophobicContact CB-CG2 4.33Å; L179-V257 HydrophobicContact CD1-CG2 4.41Å; L179-D268 PolarHBondContact N-OD2 3.3Å; L179-Y275 HydrophobicContact CB-CD2 4.48Å; L179-Y275 HydrophobicContact CB-CE1 4.15Å; L179-Y275 HydrophobicContact CB-CE2 3.77Å; L179-Y275 HydrophobicContact CD2-CD1 3.56Å; L179-Y275 HydrophobicContact CD2-CD2 4.03Å; L179-Y275 HydrophobicContact CD2-CE1 3.55Å; L179-Y275 HydrophobicContact CD2-CE2 4.04Å; L179-Y275 HydrophobicContact CD2-CG 3.78Å; L179-Y275 HydrophobicContact CG-CE1 4.46Å
180E95.6Very high92.9Very high27 Ų2756.8 Ų56.813%0.12629%0.285CS..EExtended strand (participates in β ladder)trans-97.3-50.9179.7176.3-174.9-14000110.8V163 F168 C178 T192 R194V163-E180 HydrophobicContact CB-CG 4.03Å; V163-E180 WeakPolarHBondContact CB-O 3.28Å; V163-E180 HydrophobicContact CG2-CG 4.09Å; V163-E180 PolarHBondContact N-O 2.95Å; F168-E180 HydrophobicContact CZ-CB 4.39Å; C178-E180 PolarHBondContact O-N 3.38Å; E180-T192 WeakPolarHBondContact CB-O 3.4Å; E180-T192 PolarHBondContact N-O 2.8Å; E180-T192 VanDerWaalsContact OE2-CB 3.23Å; E180-T192 WeakPolarHBondContact OE2-CB 3.46Å; E180-T192 PolarHBondContact OE2-OG1 3.01Å; E180-R194 IonicContact OE1-CZ 3.95Å; E180-R194 IonicContact OE1-NE 3.41Å; E180-R194 PolarHBondContact OE1-NE 2.73Å; E180-R194 IonicContact OE1-NH2 3.26Å; E180-R194 PolarHBondContact OE1-NH2 3.49Å
181R95.3Very high93.1Very high126 Ų12649.9 Ų49.948%0.47526%0.255SS..EExtended strand (participates in β ladder)trans-146.5148.3-179.5-170.5177.5-62.6-84.3-3.2110.9G191 T192R181-G191 CarbonylContact O-C 3.58Å; R181-G191 WeakPolarHBondContact O-CA 3.36Å; R181-T192 PolarHBondContact N-O 2.87Å; R181-T192 PolarHBondContact O-N 2.85Å
182V95.9Very high93.2Very high20 Ų2049.8 Ų49.812%0.12126%0.256CS..EExtended strand (participates in β ladder)trans-125.5141.7167.970.80000109.5P157 F159 I189 S190 F255P157-V182 HydrophobicContact CB-CG1 4.28Å; P157-V182 HydrophobicContact CG-CG1 3.68Å; F159-V182 HydrophobicContact CE2-CG1 4.06Å; F159-V182 HydrophobicContact CZ-CG1 3.76Å; V182-I189 HydrophobicContact CG2-CG2 3.61Å; V182-S190 CarbonylContact C-O 3.58Å; V182-S190 WeakPolarHBondContact CA-O 3.25Å; V182-S190 WeakPolarHBondContact CG2-O 3.31Å; V182-F255 HydrophobicContact CG2-CZ 4.21Å
183T93.3Very high93.3Very high69 Ų6949.8 Ų49.842%0.42326%0.256SS..EExtended strand (participates in β ladder)trans-132.9133.5176.743.10000109S190T183-S190 PolarHBondContact N-O 2.83Å; T183-S190 PolarHBondContact O-N 3.46Å; T183-S190 VanDerWaalsContact O-O 3.07Å; T183-S190 PolarHBondContact O-OG 2.7Å; T183-S190 PolarHBondContact OG1-O 3.03Å; T183-S190 PolarHBondContact OG1-OG 3.26Å
184C90.6Very high93.5Very high48 Ų4846.6 Ų46.632%0.32424%0.239SC..EExtended strand (participates in β ladder)trans-110.8131.8178.5-58.60000109.1L155 L277L155-C184 HydrophobicContact CB-CB 4.09Å; L155-C184 WeakPolarHBondContact O-CB 3.3Å; L155-C184 PolarHBondContact O-SG 3.4Å; C184-L277 VanDerWaalsContact SG-CD2 3.58Å
185S85.1Confident93.6Very high64 Ų6438.4 Ų38.445%0.44821%0.208SC..EExtended strand (participates in β ladder)trans-132.7176.2172.471.20000110.4L187 G188S185-L187 PolarHBondContact O-N 2.88Å; S185-L187 PolarHBondContact OG-N 2.81Å; S185-G188 PolarHBondContact N-O 3.34Å; S185-G188 PolarHBondContact O-N 2.81Å; S185-G188 VanDerWaalsContact O-N 3.09Å
186D77.9Confident93.7Very high144 Ų14437.7 Ų37.777%0.7721%0.206SC*.THydrogen-bonded Turntrans-55.1-3017060.5-28.6000113.4G188D186-G188 VanDerWaalsContact C-N 3.35Å
187L79.1Confident93.7Very high139 Ų13939.7 Ų39.773%0.72822%0.217SC*.THydrogen-bonded Turntrans-80.9-10.5177.8-58.3178000114S185S185-L187 PolarHBondContact O-N 2.88Å; S185-L187 PolarHBondContact OG-N 2.81Å
188G90.3Very high93.5Very high6 Ų643.7 Ų43.76%0.06224%0.241CC..EExtended strand (participates in β ladder)trans129.1-153.4178.200000114.2S185 D186S185-G188 PolarHBondContact N-O 3.34Å; S185-G188 PolarHBondContact O-N 2.81Å; S185-G188 VanDerWaalsContact O-N 3.09Å; D186-G188 VanDerWaalsContact C-N 3.35Å
189I95.1Very high93.4Very high2 Ų245.2 Ų45.21%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-104133.7-177.5-62.2157000108.8L155 V182 F238 G239 F240 V242 V253 L277L155-I189 HydrophobicContact CD1-CD1 3.81Å; L155-I189 HydrophobicContact CD1-CG1 3.86Å; V182-I189 HydrophobicContact CG2-CG2 3.61Å; I189-F238 HydrophobicContact CG2-CE2 4.33Å; I189-G239 CarbonylContact O-C 3.52Å; I189-G239 WeakPolarHBondContact O-CA 3.44Å; I189-F240 HydrophobicContact CB-CD2 4.44Å; I189-F240 HydrophobicContact CB-CE1 4.2Å; I189-F240 HydrophobicContact CB-CE2 3.96Å; I189-F240 HydrophobicContact CB-CZ 3.82Å; I189-F240 HydrophobicContact CD1-CD2 4.46Å; I189-F240 HydrophobicContact CD1-CE2 3.47Å; I189-F240 VanDerWaalsContact CD1-CE2 3.47Å; I189-F240 HydrophobicContact CD1-CZ 3.65Å; I189-F240 HydrophobicContact CG1-CE2 4.27Å; I189-F240 HydrophobicContact CG1-CZ 4.37Å; I189-F240 HydrophobicContact CG2-CE1 4.14Å; I189-F240 HydrophobicContact CG2-CZ 3.95Å; I189-F240 PolarHBondContact N-O 3.43Å; I189-F240 PolarHBondContact O-N 3.5Å; I189-V242 HydrophobicContact CB-CG2 4.5Å; I189-V242 HydrophobicContact CD1-CG2 3.54Å; I189-V242 HydrophobicContact CG1-CG2 3.73Å; I189-V253 HydrophobicContact CD1-CB 4.2Å; I189-V253 HydrophobicContact CD1-CG1 3.86Å; I189-V253 HydrophobicContact CD1-CG2 4.28Å; I189-L277 HydrophobicContact CD1-CD1 3.35Å; I189-L277 HydrophobicContact CG1-CD1 3.82Å; I189-L277 HydrophobicContact CG2-CD1 4.03Å
190S96.5Very high93.3Very high41 Ų4154.5 Ų54.529%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-133.7161.7173.552.30000110.4V182 T183 F238V182-S190 CarbonylContact C-O 3.58Å; V182-S190 WeakPolarHBondContact CA-O 3.25Å; V182-S190 WeakPolarHBondContact CG2-O 3.31Å; T183-S190 PolarHBondContact N-O 2.83Å; T183-S190 PolarHBondContact O-N 3.46Å; T183-S190 VanDerWaalsContact O-O 3.07Å; T183-S190 PolarHBondContact O-OG 2.7Å; T183-S190 PolarHBondContact OG1-O 3.03Å; T183-S190 PolarHBondContact OG1-OG 3.26Å; S190-F238 VanDerWaalsContact CA-O 3.3Å; S190-F238 WeakPolarHBondContact CA-O 3.41Å
191G96.8Very high93.4Very high8 Ų861 Ų618%0.08232%0.324CS..EExtended strand (participates in β ladder)trans-174.6175.5179.500000113.8R181 T237 F238R181-G191 CarbonylContact O-C 3.58Å; R181-G191 WeakPolarHBondContact O-CA 3.36Å; G191-T237 WeakPolarHBondContact O-CA 3.14Å; G191-F238 PolarHBondContact N-O 2.97Å; G191-F238 WeakPolarHBondContact O-CD1 3.41Å; G191-F238 PolarHBondContact O-N 3.43Å
192T97.7Very high93.4Very high9 Ų956.6 Ų56.66%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-116.9143.817357.10000110.8E180 R181 R224 V235 F236 T237E180-T192 WeakPolarHBondContact CB-O 3.4Å; E180-T192 PolarHBondContact N-O 2.8Å; E180-T192 VanDerWaalsContact OE2-CB 3.23Å; E180-T192 WeakPolarHBondContact OE2-CB 3.46Å; E180-T192 PolarHBondContact OE2-OG1 3.01Å; R181-T192 PolarHBondContact N-O 2.87Å; R181-T192 PolarHBondContact O-N 2.85Å; T192-R224 VanDerWaalsContact CG2-CZ 3.45Å; T192-R224 VanDerWaalsContact CG2-NH2 3.25Å; T192-V235 HydrophobicContact CG2-CG1 4.2Å; T192-F236 CarbonylContact C-O 3.56Å; T192-F236 VanDerWaalsContact CA-O 3.26Å; T192-F236 WeakPolarHBondContact CA-O 3.49Å; T192-T237 HydrophobicContact CG2-CG2 3.94Å
193V98Very high93.5Very high0 Ų061.5 Ų61.50%033%0.33CS..EExtended strand (participates in β ladder)trans-123.3135.5177.5175.10000107.1V177 L179 V195 V204 V235 F236 F238 V257V177-V193 HydrophobicContact CG2-CG1 3.59Å; L179-V193 HydrophobicContact CD1-CG2 4.23Å; V193-V195 HydrophobicContact CG1-CG1 3.99Å; V193-V204 HydrophobicContact CB-CG1 4.36Å; V193-V204 HydrophobicContact CG1-CG1 4.04Å; V193-V235 CarbonylContact O-C 3.57Å; V193-V235 WeakPolarHBondContact O-CA 3.08Å; V193-F236 HydrophobicContact CB-CB 4.44Å; V193-F236 PolarHBondContact N-O 3.1Å; V193-F236 PolarHBondContact O-N 3.49Å; V193-F238 HydrophobicContact CG2-CD1 3.74Å; V193-F238 HydrophobicContact CG2-CE1 3.75Å; V193-V257 HydrophobicContact CB-CG1 4.35Å; V193-V257 HydrophobicContact CG1-CG1 3.68Å; V193-V257 HydrophobicContact CG2-CG1 3.74Å; V193-V257 HydrophobicContact CG2-CG2 4.07Å
194R97.4Very high93.8Very high49 Ų4958.3 Ų58.319%0.18531%0.311CS..EExtended strand (participates in β ladder)trans-103.3135.1172.4-162.3175.9-76-162.95.6109.6F168 L172 V177 C178 E180 A227 E233 D234F168-R194 HydrophobicContact CZ-CB 4.13Å; L172-R194 HydrophobicContact CD1-CB 4.41Å; L172-R194 HydrophobicContact CD1-CG 4.47Å; L172-R194 WeakPolarHBondContact CD1-O 3.46Å; L172-R194 HydrophobicContact CD2-CB 4.3Å; L172-R194 VanDerWaalsContact CD2-CD 3.45Å; L172-R194 HydrophobicContact CD2-CG 3.75Å; V177-R194 WeakPolarHBondContact CA-O 3.37Å; C178-R194 PolarHBondContact N-O 3.3Å; C178-R194 PolarHBondContact O-N 3.22Å; E180-R194 IonicContact OE1-CZ 3.95Å; E180-R194 IonicContact OE1-NE 3.41Å; E180-R194 PolarHBondContact OE1-NE 2.73Å; E180-R194 IonicContact OE1-NH2 3.26Å; E180-R194 PolarHBondContact OE1-NH2 3.49Å; R194-A227 HydrophobicContact CG-CB 4.42Å; R194-E233 VanDerWaalsContact CD-OE2 3.31Å; R194-E233 WeakPolarHBondContact CD-OE2 3.42Å; R194-E233 HydrophobicContact CG-CB 4.26Å; R194-E233 IonicContact NH1-OE2 3.16Å; R194-E233 PolarHBondContact NH1-OE2 3.18Å; R194-D234 WeakPolarHBondContact CA-O 3.21Å
195V97.8Very high94.1Very high0 Ų056.2 Ų56.20%030%0.297CS..EExtended strand (participates in β ladder)trans-131.9147.2178.2-58.80000111.3L176 V177 V193 K202 V204 E233 D234 F236 Y259L176-V195 CarbonylContact O-C 3.57Å; L176-V195 VanDerWaalsContact O-CA 3.25Å; L176-V195 WeakPolarHBondContact O-CA 3Å; V177-V195 HydrophobicContact CB-CG1 4.07Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; V193-V195 HydrophobicContact CG1-CG1 3.99Å; V195-K202 HydrophobicContact CG2-CD 4.04Å; V195-V204 HydrophobicContact CG1-CG2 3.85Å; V195-E233 CarbonylContact O-C 3.55Å; V195-E233 VanDerWaalsContact O-CA 3.28Å; V195-E233 WeakPolarHBondContact O-CA 3.17Å; V195-D234 HydrophobicContact CG2-CB 3.86Å; V195-D234 PolarHBondContact N-O 3.21Å; V195-D234 PolarHBondContact O-N 2.75Å; V195-F236 HydrophobicContact CG2-CD2 3.75Å; V195-F236 HydrophobicContact CG2-CE2 3.53Å; V195-Y259 HydrophobicContact CB-CD1 4.13Å; V195-Y259 HydrophobicContact CB-CD2 4.49Å; V195-Y259 HydrophobicContact CB-CE1 3.89Å; V195-Y259 HydrophobicContact CB-CE2 4.3Å; V195-Y259 HydrophobicContact CB-CG 4.4Å; V195-Y259 HydrophobicContact CG1-CD1 4.12Å; V195-Y259 HydrophobicContact CG1-CD2 4.17Å; V195-Y259 HydrophobicContact CG1-CE1 4.37Å; V195-Y259 HydrophobicContact CG1-CE2 4.45Å; V195-Y259 HydrophobicContact CG1-CG 3.99Å; V195-Y259 HydrophobicContact CG2-CE2 4.34Å
196C97.1Very high94.7Very high10 Ų1053.2 Ų53.27%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-71.6133.4171.8-64.60000110.4L172 L176 V198 Y259L172-C196 PolarHBondContact O-SG 3.21Å; L172-C196 VanDerWaalsContact O-SG 3.42Å; L176-C196 HydrophobicContact CB-CB 4.23Å; L176-C196 HydrophobicContact CD2-CB 3.85Å; L176-C196 PolarHBondContact O-N 2.87Å; C196-V198 VanDerWaalsContact C-N 3.34Å; C196-V198 HydrophobicContact CB-CG2 4.28Å; C196-V198 PolarHBondContact O-N 3.23Å; C196-Y259 PolarHBondContact O-OH 2.99Å
197N95.4Very high95.7Very high72 Ų7250.4 Ų50.439%0.38526%0.255SS..  trans-80.178.4-179.1-173.68.7000111.4K202 G231 K232N197-K202 WeakPolarHBondContact OD1-CE 3.44Å; N197-K202 PolarHBondContact OD1-NZ 3.2Å; N197-G231 PolarHBondContact ND2-O 3.21Å; N197-K232 VanDerWaalsContact CB-O 3.29Å; N197-K232 WeakPolarHBondContact CB-O 3.22Å; N197-K232 PolarHBondContact N-O 3.46Å
198V94.8Very high96.5Very high83 Ų8345 Ų4550%0.50323%0.225SC..SBendtrans-85.1-39.2-179.3-177.50000112.4L176 C196 V261L176-V198 HydrophobicContact CD1-CG2 4.18Å; C196-V198 VanDerWaalsContact C-N 3.34Å; C196-V198 HydrophobicContact CB-CG2 4.28Å; C196-V198 PolarHBondContact O-N 3.23Å; V198-V261 HydrophobicContact CB-CG1 4.38Å; V198-V261 HydrophobicContact CB-CG2 4.15Å
199A95.1Very high96.7Very high32 Ų3244.8 Ų44.826%0.26422%0.222SC..  trans-147.8163.2176.400000110.7K202 V261 A262A199-K202 WeakPolarHBondContact O-CE 3.47Å; A199-K202 WeakPolarHBondContact O-CG 3.42Å; A199-K202 PolarHBondContact O-NZ 3.42Å; A199-V261 HydrophobicContact CB-CG2 3.63Å; A199-A262 HydrophobicContact CB-CB 4.37Å
200F94.4Very high96.6Very high195 Ų19547 Ų4786%0.85523%0.232SC*.SBendtrans-64-48.1-178.8-179.2-102.3000112.5K202F200-K202 PolarHBondContact O-N 3.16Å
201E96.9Very high96.3Very high163 Ų16346.1 Ų46.176%0.76223%0.225SC*.  trans-76.9108.7179.4-66.9-175.4-176.600111
202K96.8Very high95.9Very high34 Ų3447.9 Ų47.915%0.14824%0.244CC..EExtended strand (participates in β ladder)trans-124.9132.9-178.4-62.7-173.1-171.480.50109.6V195 N197 A199 F200 D234 F236 Y259 V261V195-K202 HydrophobicContact CG2-CD 4.04Å; N197-K202 WeakPolarHBondContact OD1-CE 3.44Å; N197-K202 PolarHBondContact OD1-NZ 3.2Å; A199-K202 WeakPolarHBondContact O-CE 3.47Å; A199-K202 WeakPolarHBondContact O-CG 3.42Å; A199-K202 PolarHBondContact O-NZ 3.42Å; F200-K202 PolarHBondContact O-N 3.16Å; K202-D234 WeakPolarHBondContact CE-OD2 3.36Å; K202-D234 IonicContact NZ-OD2 2.68Å; K202-D234 PolarHBondContact NZ-OD2 2.95Å; K202-F236 HydrophobicContact CB-CZ 3.83Å; K202-F236 HydrophobicContact CD-CE2 4.06Å; K202-F236 HydrophobicContact CD-CZ 4.08Å; K202-Y259 HydrophobicContact CB-CE2 3.86Å; K202-Y259 HydrophobicContact CD-CE2 4Å; K202-Y259 WeakPolarHBondContact CD-OH 3.43Å; K202-Y259 WeakPolarHBondContact CE-OH 3.4Å; K202-Y259 HydrophobicContact CG-CE2 3.86Å; K202-V261 HydrophobicContact CG-CG2 4.36Å
203Q97.8Very high95.7Very high123 Ų12351.7 Ų51.758%0.57526%0.257SS*.EExtended strand (participates in β ladder)trans-119.5112.8169.7-59.7176.7600108.8R260Q203-R260 HydrophobicContact CB-CB 4.23Å; Q203-R260 PolarHBondContact N-O 3.2Å; Q203-R260 PolarHBondContact O-N 3.23Å
204V98.3Very high95.4Very high3 Ų361.8 Ų61.82%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-110.8130.6176-177.90000108.2V193 V195 A221 F236 V257 R258 Y259V193-V204 HydrophobicContact CB-CG1 4.36Å; V193-V204 HydrophobicContact CG1-CG1 4.04Å; V195-V204 HydrophobicContact CG1-CG2 3.85Å; V204-A221 HydrophobicContact CB-CB 3.94Å; V204-A221 HydrophobicContact CG1-CB 3.74Å; V204-A221 PolarHBondContact O-N 3.09Å; V204-F236 HydrophobicContact CB-CB 4.32Å; V204-F236 HydrophobicContact CB-CD1 3.89Å; V204-F236 HydrophobicContact CB-CE1 4.38Å; V204-F236 HydrophobicContact CB-CG 4.02Å; V204-F236 HydrophobicContact CG1-CB 4.28Å; V204-F236 HydrophobicContact CG1-CG 4.46Å; V204-F236 HydrophobicContact CG2-CB 4.45Å; V204-F236 HydrophobicContact CG2-CD1 3.86Å; V204-F236 HydrophobicContact CG2-CD2 3.87Å; V204-F236 HydrophobicContact CG2-CE1 4.02Å; V204-F236 HydrophobicContact CG2-CE2 4.04Å; V204-F236 HydrophobicContact CG2-CG 3.79Å; V204-F236 HydrophobicContact CG2-CZ 4.13Å; V204-V257 HydrophobicContact CG1-CG1 4.07Å; V204-R258 WeakPolarHBondContact CA-O 3.46Å; V204-Y259 HydrophobicContact CG2-CD2 3.77Å; V204-Y259 HydrophobicContact CG2-CE2 4.35Å
205A98.2Very high95.2Very high4 Ų461.8 Ų61.83%0.03330%0.303CS..EExtended strand (participates in β ladder)trans-141.4148.1177.400000110.3A219 R258A205-A219 CarbonylContact C-O 3.5Å; A205-A219 VanDerWaalsContact CA-O 3.3Å; A205-A219 WeakPolarHBondContact CA-O 3.49Å; A205-R258 PolarHBondContact N-O 3.15Å; A205-R258 PolarHBondContact O-N 3.28Å
206V98.1Very high95.1Very high0 Ų064.4 Ų64.40%032%0.319CS..EExtended strand (participates in β ladder)trans-103.4121.9172.4178.50000108.2E218 A219 F238 F240 F255 V257V206-E218 CarbonylContact O-C 3.45Å; V206-E218 WeakPolarHBondContact O-CA 3.4Å; V206-A219 PolarHBondContact N-O 3.46Å; V206-A219 PolarHBondContact O-N 3.05Å; V206-F238 HydrophobicContact CB-CD2 4.21Å; V206-F238 HydrophobicContact CB-CG 4.36Å; V206-F238 HydrophobicContact CG1-CD2 4.47Å; V206-F238 HydrophobicContact CG1-CE2 4.38Å; V206-F238 HydrophobicContact CG2-CB 3.93Å; V206-F238 HydrophobicContact CG2-CD1 3.61Å; V206-F238 HydrophobicContact CG2-CD2 3.68Å; V206-F238 HydrophobicContact CG2-CE1 3.96Å; V206-F238 HydrophobicContact CG2-CE2 4.03Å; V206-F238 HydrophobicContact CG2-CG 3.44Å; V206-F238 VanDerWaalsContact CG2-CG 3.44Å; V206-F238 HydrophobicContact CG2-CZ 4.15Å; V206-F240 HydrophobicContact CG1-CE1 3.97Å; V206-F255 HydrophobicContact CG1-CB 3.85Å; V206-F255 HydrophobicContact CG1-CD2 3.66Å; V206-F255 HydrophobicContact CG1-CG 4.1Å; V206-V257 HydrophobicContact CG2-CG1 4.5Å; V206-V257 HydrophobicContact CG2-CG2 4.35Å
207R97.4Very high95.1Very high86 Ų8667.7 Ų67.733%0.32533%0.333SS..EExtended strand (participates in β ladder)trans-95.7125.6172.8-167.9179.6-179.4178.80.5108.4W213 T216 H217 E218 F255 A256 W267R207-W213 HydrophobicContact CG-CZ3 4.1Å; R207-T216 PolarHBondContact NE-OG1 3.35Å; R207-T216 PolarHBondContact NH2-OG1 2.89Å; R207-H217 CarbonylContact C-O 3.59Å; R207-H217 WeakPolarHBondContact CA-O 3.04Å; R207-E218 HydrophobicContact CB-CG 4.24Å; R207-E218 HydrophobicContact CG-CG 4.06Å; R207-F255 CarbonylContact O-C 3.6Å; R207-F255 WeakPolarHBondContact O-CA 3.24Å; R207-F255 WeakPolarHBondContact O-CB 3.48Å; R207-A256 PolarHBondContact N-O 3.32Å; R207-A256 PolarHBondContact O-N 2.95Å; R207-W267 HydrophobicContact CB-CH2 4.16Å; R207-W267 HydrophobicContact CB-CZ3 4Å
208Y96.1Very high95.2Very high26 Ų2668.7 Ų68.710%0.10234%0.336CS..EExtended strand (participates in β ladder)trans-136.5161.4-174.164.7-83.8000112.5F210 H217 A219 F240 H254Y208-F210 AromaticContact CD2-CE2 3.94Å; Y208-F210 HydrophobicContact CD2-CE2 3.94Å; Y208-F210 AromaticContact CD2-CZ 3.83Å; Y208-F210 HydrophobicContact CD2-CZ 3.83Å; Y208-F210 AromaticContact CE2-CE2 3.63Å; Y208-F210 HydrophobicContact CE2-CE2 3.63Å; Y208-F210 AromaticContact CE2-CZ 3.66Å; Y208-F210 HydrophobicContact CE2-CZ 3.66Å; Y208-H217 HydrophobicContact CD1-CB 4.19Å; Y208-H217 HydrophobicContact CD2-CB 4.03Å; Y208-H217 HydrophobicContact CE1-CB 3.68Å; Y208-H217 HydrophobicContact CE2-CB 3.51Å; Y208-H217 HydrophobicContact CG-CB 4.34Å; Y208-H217 PolarHBondContact N-O 2.74Å; Y208-H217 PolarHBondContact O-N 3.31Å; Y208-A219 HydrophobicContact CD1-CB 4.49Å; Y208-A219 HydrophobicContact CE1-CB 3.9Å; Y208-F240 AromaticContact CD1-CD1 4Å; Y208-F240 HydrophobicContact CD1-CD1 4Å; Y208-F240 HydrophobicContact CD1-CD2 4.1Å; Y208-F240 HydrophobicContact CD1-CE1 4.14Å; Y208-F240 HydrophobicContact CD1-CE2 4.21Å; Y208-F240 AromaticContact CD1-CG 3.98Å; Y208-F240 HydrophobicContact CD1-CG 3.98Å; Y208-F240 HydrophobicContact CD1-CZ 4.25Å; Y208-F240 AromaticContact CD2-CD2 3.67Å; Y208-F240 HydrophobicContact CD2-CD2 3.67Å; Y208-F240 AromaticContact CD2-CE2 3.59Å; Y208-F240 HydrophobicContact CD2-CE2 3.59Å; Y208-F240 HydrophobicContact CD2-CG 4.36Å; Y208-F240 HydrophobicContact CD2-CZ 4.25Å; Y208-F240 HydrophobicContact CE1-CB 3.87Å; Y208-F240 HydrophobicContact CE1-CD1 4.13Å; Y208-F240 HydrophobicContact CE1-CD2 4.05Å; Y208-F240 AromaticContact CE1-CG 3.77Å; Y208-F240 HydrophobicContact CE1-CG 3.77Å; Y208-F240 HydrophobicContact CE2-CB 4.44Å; Y208-F240 AromaticContact CE2-CD2 3.59Å; Y208-F240 HydrophobicContact CE2-CD2 3.59Å; Y208-F240 HydrophobicContact CE2-CE2 4.02Å; Y208-F240 HydrophobicContact CE2-CG 4.15Å; Y208-F240 HydrophobicContact CG-CD1 4.42Å; Y208-F240 AromaticContact CG-CD2 3.93Å; Y208-F240 HydrophobicContact CG-CD2 3.93Å; Y208-F240 HydrophobicContact CG-CE1 4.24Å; Y208-F240 AromaticContact CG-CE2 3.7Å; Y208-F240 HydrophobicContact CG-CE2 3.7Å; Y208-F240 HydrophobicContact CG-CG 4.28Å; Y208-F240 AromaticContact CG-CZ 3.88Å; Y208-F240 HydrophobicContact CG-CZ 3.88Å; Y208-F240 AromaticContact CZ-CD2 3.79Å; Y208-F240 AromaticContact CZ-CG 3.86Å; Y208-H254 CarbonylContact C-O 3.53Å; Y208-H254 WeakPolarHBondContact CA-O 3.44Å
209T95.1Very high95.3Very high0 Ų065.3 Ų65.30%032%0.316CS..EExtended strand (participates in β ladder)trans-148.9146.3-178.5-177.60000111.3S211 W213 S215 H254T209-S211 PolarHBondContact OG1-N 3.02Å; T209-S211 VanDerWaalsContact OG1-N 3.13Å; T209-S211 PolarHBondContact OG1-OG 2.96Å; T209-W213 HydrophobicContact CG2-CD2 3.62Å; T209-W213 HydrophobicContact CG2-CE3 3.83Å; T209-W213 HydrophobicContact CG2-CG 3.97Å; T209-W213 HydrophobicContact CG2-CH2 4.49Å; T209-W213 HydrophobicContact CG2-CZ2 4.34Å; T209-W213 HydrophobicContact CG2-CZ3 4.26Å; T209-W213 PolarHBondContact OG1-N 3.5Å; T209-W213 VanDerWaalsContact OG1-N 3.11Å; T209-S215 WeakPolarHBondContact CB-O 3.38Å; T209-S215 PolarHBondContact OG1-O 3.47Å; T209-H254 HydrophobicContact CG2-CB 3.75Å; T209-H254 PolarHBondContact N-O 2.89Å; T209-H254 PolarHBondContact O-N 3.31Å; T209-H254 VanDerWaalsContact O-N 3.08Å
210F92.4Very high95.4Very high49 Ų4969.1 Ų69.122%0.21534%0.336CS..SBendtrans-105.7-1.5171.8-53.6-70.3000112.3Y208 V242 L246 V253Y208-F210 AromaticContact CD2-CE2 3.94Å; Y208-F210 HydrophobicContact CD2-CE2 3.94Å; Y208-F210 AromaticContact CD2-CZ 3.83Å; Y208-F210 HydrophobicContact CD2-CZ 3.83Å; Y208-F210 AromaticContact CE2-CE2 3.63Å; Y208-F210 HydrophobicContact CE2-CE2 3.63Å; Y208-F210 AromaticContact CE2-CZ 3.66Å; Y208-F210 HydrophobicContact CE2-CZ 3.66Å; F210-V242 HydrophobicContact CE1-CB 4.42Å; F210-V242 HydrophobicContact CE1-CG1 3.78Å; F210-V242 HydrophobicContact CE1-CG2 4.13Å; F210-V242 HydrophobicContact CZ-CG1 4.43Å; F210-V242 HydrophobicContact CZ-CG2 4.46Å; F210-L246 HydrophobicContact CB-CD1 4.23Å; F210-L246 HydrophobicContact CD1-CD1 4.4Å; F210-L246 HydrophobicContact CD2-CD1 3.85Å; F210-L246 HydrophobicContact CE2-CD1 4.31Å; F210-L246 HydrophobicContact CG-CD1 3.9Å; F210-V253 HydrophobicContact CD1-CB 4.49Å; F210-V253 HydrophobicContact CD1-CG1 4.1Å; F210-V253 HydrophobicContact CD1-CG2 3.83Å; F210-V253 HydrophobicContact CE1-CG1 3.91Å; F210-V253 HydrophobicContact CE1-CG2 3.91Å
211S90.6Very high95.6Very high22 Ų2260.1 Ų60.115%0.15430%0.298CS..SBendtrans-128.622.6-165.664.60000113.1T209 R214 S215T209-S211 PolarHBondContact OG1-N 3.02Å; T209-S211 VanDerWaalsContact OG1-N 3.13Å; T209-S211 PolarHBondContact OG1-OG 2.96Å; S211-R214 PolarHBondContact O-NH1 3.36Å; S211-S215 PolarHBondContact OG-N 2.78Å; S211-S215 PolarHBondContact OG-OG 3.44Å
212G88.6Confident95.7Very high46 Ų4661.4 Ų61.447%0.47430%0.296SS..THydrogen-bonded Turntrans60.448.7-17700000112.2R214G212-R214 VanDerWaalsContact C-N 3.26Å; G212-R214 PolarHBondContact O-N 3.29Å
213W92.6Very high95.7Very high88 Ų8867.1 Ų67.133%0.33332%0.316SS..THydrogen-bonded Turntrans69.65.3176.6-58.9111.1000116.7R207 T209 T216 H254 A256 D274R207-W213 HydrophobicContact CG-CZ3 4.1Å; T209-W213 HydrophobicContact CG2-CD2 3.62Å; T209-W213 HydrophobicContact CG2-CE3 3.83Å; T209-W213 HydrophobicContact CG2-CG 3.97Å; T209-W213 HydrophobicContact CG2-CH2 4.49Å; T209-W213 HydrophobicContact CG2-CZ2 4.34Å; T209-W213 HydrophobicContact CG2-CZ3 4.26Å; T209-W213 PolarHBondContact OG1-N 3.5Å; T209-W213 VanDerWaalsContact OG1-N 3.11Å; W213-T216 HydrophobicContact CE3-CG2 3.68Å; W213-T216 HydrophobicContact CZ3-CG2 4.18Å; W213-H254 HydrophobicContact CZ2-CB 4.2Å; W213-A256 HydrophobicContact CH2-CB 4.45Å; W213-D274 HydrophobicContact CZ2-CB 4.46Å; W213-D274 WeakPolarHBondContact CZ2-OD2 3.26Å; W213-D274 PolarHBondContact NE1-OD2 2.84Å
214R92.1Very high95.7Very high212 Ų21268.7 Ų68.780%0.832%0.317SS*.SBendtrans-67.7-41.2171.3-63.7-170.7-56.1-86.41.4112.5S211 G212S211-R214 PolarHBondContact O-NH1 3.36Å; G212-R214 VanDerWaalsContact C-N 3.26Å; G212-R214 PolarHBondContact O-N 3.29Å
215S93.9Very high95.5Very high50 Ų5069 Ų6935%0.3532%0.321SS..SBendtrans-116.8139.1169.765.30000109.2T209 S211T209-S215 WeakPolarHBondContact CB-O 3.38Å; T209-S215 PolarHBondContact OG1-O 3.47Å; S211-S215 PolarHBondContact OG-N 2.78Å; S211-S215 PolarHBondContact OG-OG 3.44Å
216T95.8Very high95.4Very high54 Ų5472.5 Ų72.533%0.33134%0.343SS..  trans-128.8142.3179.266.50000111R207 W213R207-T216 PolarHBondContact NE-OG1 3.35Å; R207-T216 PolarHBondContact NH2-OG1 2.89Å; W213-T216 HydrophobicContact CE3-CG2 3.68Å; W213-T216 HydrophobicContact CZ3-CG2 4.18Å
217H95.9Very high95.1Very high79 Ų7974.1 Ų74.137%0.36636%0.357SS..EExtended strand (participates in β ladder)trans-125.5156.5177.8-54.6-83.7000108.7R207 Y208R207-H217 CarbonylContact C-O 3.59Å; R207-H217 WeakPolarHBondContact CA-O 3.04Å; Y208-H217 HydrophobicContact CD1-CB 4.19Å; Y208-H217 HydrophobicContact CD2-CB 4.03Å; Y208-H217 HydrophobicContact CE1-CB 3.68Å; Y208-H217 HydrophobicContact CE2-CB 3.51Å; Y208-H217 HydrophobicContact CG-CB 4.34Å; Y208-H217 PolarHBondContact N-O 2.74Å; Y208-H217 PolarHBondContact O-N 3.31Å
218E97.3Very high94.7Very high94 Ų9471.6 Ų71.644%0.43936%0.357SS..EExtended strand (participates in β ladder)trans-126.3139.8176.2-72-168.4174.900110.3V206 R207 R258V206-E218 CarbonylContact O-C 3.45Å; V206-E218 WeakPolarHBondContact O-CA 3.4Å; R207-E218 HydrophobicContact CB-CG 4.24Å; R207-E218 HydrophobicContact CG-CG 4.06Å; E218-R258 IonicContact OE1-CZ 2.69Å; E218-R258 IonicContact OE1-NH1 2.7Å; E218-R258 PolarHBondContact OE1-NH1 2.84Å; E218-R258 IonicContact OE1-NH2 3.67Å; E218-R258 IonicContact OE2-CZ 2.88Å; E218-R258 IonicContact OE2-NH1 3Å; E218-R258 PolarHBondContact OE2-NH1 3.09Å; E218-R258 IonicContact OE2-NH2 3.66Å; E218-R258 PolarHBondContact OE2-NH2 2.83Å
219A97.7Very high94Very high12 Ų1277.3 Ų77.310%0.09940%0.397CS..EExtended strand (participates in β ladder)trans-122123.8171.700000109.4A205 V206 Y208 F240A205-A219 CarbonylContact C-O 3.5Å; A205-A219 VanDerWaalsContact CA-O 3.3Å; A205-A219 WeakPolarHBondContact CA-O 3.49Å; V206-A219 PolarHBondContact N-O 3.46Å; V206-A219 PolarHBondContact O-N 3.05Å; Y208-A219 HydrophobicContact CD1-CB 4.49Å; Y208-A219 HydrophobicContact CE1-CB 3.9Å; A219-F240 HydrophobicContact CB-CB 3.93Å; A219-F240 HydrophobicContact CB-CD1 4.13Å; A219-F240 HydrophobicContact CB-CG 4.44Å
220V98.1Very high93.5Very high111 Ų11184 Ų8467%0.67343%0.429SS*.EExtended strand (participates in β ladder)trans-74.1132.6178.11790000109.6
221A98.2Very high93.2Very high7 Ų782.8 Ų82.86%0.05843%0.431CS..PPolyproline II helixtrans-88.9144.4172.800000110.4V204 F236 T237 F238V204-A221 HydrophobicContact CB-CB 3.94Å; V204-A221 HydrophobicContact CG1-CB 3.74Å; V204-A221 PolarHBondContact O-N 3.09Å; A221-F236 HydrophobicContact CB-CB 3.95Å; A221-F236 HydrophobicContact CB-CD1 4.43Å; A221-T237 CarbonylContact C-O 3.51Å; A221-T237 WeakPolarHBondContact CA-O 3.3Å; A221-T237 WeakPolarHBondContact CB-O 3.29Å; A221-F238 HydrophobicContact CB-CB 3.91Å
222R98.1Very high93.4Very high190 Ų19088.3 Ų88.372%0.71745%0.452SS*.EExtended strand (participates in β ladder)trans-103.9140.4179.7-66.6-173.7170.187.6-0.3110.1R224 F236 T237R222-R224 PolarHBondContact O-N 3.14Å; R222-F236 CarbonylContact O-C 3.55Å; R222-F236 WeakPolarHBondContact O-CA 3.41Å; R222-T237 PolarHBondContact N-O 2.92Å; R222-T237 PolarHBondContact O-N 3.06Å; R222-T237 PolarHBondContact O-OG1 2.95Å
223W97.7Very high93.8Very high153 Ų15388.1 Ų88.158%0.5844%0.438SS*.EExtended strand (participates in β ladder)trans-64.7130.1175.1179.378.7000110.1G225 D234 F236W223-G225 VanDerWaalsContact CZ2-CA 3.49Å; W223-D234 PolarHBondContact NE1-OD1 3.09Å; W223-F236 HydrophobicContact CB-CD1 4.12Å; W223-F236 HydrophobicContact CB-CE1 3.69Å; W223-F236 HydrophobicContact CB-CZ 3.94Å; W223-F236 AromaticContact CD1-CE2 3.85Å; W223-F236 AromaticContact CD1-CZ 3.82Å; W223-F236 HydrophobicContact CG-CE1 4.49Å; W223-F236 HydrophobicContact CG-CZ 4.28Å
224R96.8Very high94Very high157 Ų15784.4 Ų84.459%0.59243%0.425SS*.EExtended strand (participates in β ladder)trans-97.8-42.5176.3178.7-169.3-77.1-169.7-4.3111T192 R222 V235 T237T192-R224 VanDerWaalsContact CG2-CZ 3.45Å; T192-R224 VanDerWaalsContact CG2-NH2 3.25Å; R222-R224 PolarHBondContact O-N 3.14Å; R224-V235 HydrophobicContact CB-CB 4.48Å; R224-V235 HydrophobicContact CB-CG1 4.41Å; R224-V235 WeakPolarHBondContact CB-O 3.46Å; R224-V235 PolarHBondContact N-O 3.48Å; R224-T237 HydrophobicContact CB-CG2 4.21Å; R224-T237 VanDerWaalsContact CZ-CG2 3.46Å
225G95.8Very high94.2Very high10 Ų1074.9 Ų74.910%0.10339%0.391CS..EExtended strand (participates in β ladder)trans159174.5-171.500000112.4W223 V235W223-G225 VanDerWaalsContact CZ2-CA 3.49Å; G225-V235 PolarHBondContact N-O 3.19Å; G225-V235 PolarHBondContact O-N 2.8Å
226P96.1Very high94.5Very high76 Ų7673 Ų7349%0.49438%0.376SS..EExtended strand (participates in β ladder)trans-67.5146.3171.630.3-34.4000110.9G228 E233P226-G228 VanDerWaalsContact C-N 3.29Å; P226-G228 PolarHBondContact O-N 3.16Å; P226-E233 WeakPolarHBondContact CA-O 3.31Å
227A91.4Very high94.6Very high35 Ų3572.4 Ų72.429%0.28937%0.373SS..SBendtrans-73.6-20.717900000113.3R194 E233 V235R194-A227 HydrophobicContact CG-CB 4.42Å; A227-E233 HydrophobicContact CB-CB 3.84Å; A227-E233 PolarHBondContact N-O 2.95Å; A227-V235 HydrophobicContact CB-CG2 3.64Å
228G87.6Confident94.7Very high32 Ų3269.1 Ų69.133%0.3336%0.357SS..SBendtrans-161.2175.4-179.400000112.1P226 E230 G231P226-G228 VanDerWaalsContact C-N 3.29Å; P226-G228 PolarHBondContact O-N 3.16Å; G228-E230 PolarHBondContact O-N 3.47Å; G228-G231 PolarHBondContact O-N 2.89Å
229P82.1Confident94.6Very high146 Ų14666.9 Ų66.995%0.94836%0.359SS*.THydrogen-bonded Turntrans-65.9-23.9-173.126.8-34.8000113.6G231P229-G231 VanDerWaalsContact C-N 3.3Å; P229-G231 PolarHBondContact O-N 2.9Å
230E84.8Confident94.6Very high140 Ų14066.6 Ų66.665%0.65436%0.356SS*.THydrogen-bonded Turntrans-76.5-13.5179.8-59.9-165.3155.900113.8G228 K232G228-E230 PolarHBondContact O-N 3.47Å; E230-K232 HydrophobicContact CB-CD 4.37Å; E230-K232 HydrophobicContact CB-CG 4.2Å; E230-K232 PolarHBondContact O-N 3.09Å; E230-K232 WeakPolarHBondContact OE2-CD 3.23Å; E230-K232 WeakPolarHBondContact OE2-CE 3.45Å; E230-K232 IonicContact OE2-NZ 2.7Å; E230-K232 PolarHBondContact OE2-NZ 3Å
231G87.1Confident94.3Very high25 Ų2565.6 Ų65.626%0.25835%0.351SS..  trans63.713.4177.200000115.7N197 G228 P229 E233N197-G231 PolarHBondContact ND2-O 3.21Å; G228-G231 PolarHBondContact O-N 2.89Å; P229-G231 VanDerWaalsContact C-N 3.3Å; P229-G231 PolarHBondContact O-N 2.9Å; G231-E233 PolarHBondContact O-N 3.22Å
232K93.4Very high93.9Very high137 Ų13765.6 Ų65.660%0.59635%0.351SS*.SBendtrans-68.8-22.3177-69.1177.5179.2160.60113.3N197 E230N197-K232 VanDerWaalsContact CB-O 3.29Å; N197-K232 WeakPolarHBondContact CB-O 3.22Å; N197-K232 PolarHBondContact N-O 3.46Å; E230-K232 HydrophobicContact CB-CD 4.37Å; E230-K232 HydrophobicContact CB-CG 4.2Å; E230-K232 PolarHBondContact O-N 3.09Å; E230-K232 WeakPolarHBondContact OE2-CD 3.23Å; E230-K232 WeakPolarHBondContact OE2-CE 3.45Å; E230-K232 IonicContact OE2-NZ 2.7Å; E230-K232 PolarHBondContact OE2-NZ 3Å
233E96.4Very high93.2Very high42 Ų4258.4 Ų58.420%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-134.5141.1-174-65.2169.9178.900109.4L172 R194 V195 P226 A227 G231L172-E233 HydrophobicContact CD2-CG 4.17Å; L172-E233 WeakPolarHBondContact CD2-OE1 3.44Å; R194-E233 VanDerWaalsContact CD-OE2 3.31Å; R194-E233 WeakPolarHBondContact CD-OE2 3.42Å; R194-E233 HydrophobicContact CG-CB 4.26Å; R194-E233 IonicContact NH1-OE2 3.16Å; R194-E233 PolarHBondContact NH1-OE2 3.18Å; V195-E233 CarbonylContact O-C 3.55Å; V195-E233 VanDerWaalsContact O-CA 3.28Å; V195-E233 WeakPolarHBondContact O-CA 3.17Å; P226-E233 WeakPolarHBondContact CA-O 3.31Å; A227-E233 HydrophobicContact CB-CB 3.84Å; A227-E233 PolarHBondContact N-O 2.95Å; G231-E233 PolarHBondContact O-N 3.22Å
234D97Very high92.3Very high11 Ų1156.1 Ų56.16%0.05933%0.333CS..EExtended strand (participates in β ladder)trans-112147.2175.4-77-47.8000110.6R194 V195 K202 W223 F236R194-D234 WeakPolarHBondContact CA-O 3.21Å; V195-D234 HydrophobicContact CG2-CB 3.86Å; V195-D234 PolarHBondContact N-O 3.21Å; V195-D234 PolarHBondContact O-N 2.75Å; K202-D234 WeakPolarHBondContact CE-OD2 3.36Å; K202-D234 IonicContact NZ-OD2 2.68Å; K202-D234 PolarHBondContact NZ-OD2 2.95Å; W223-D234 PolarHBondContact NE1-OD1 3.09Å; D234-F236 HydrophobicContact CB-CD2 4.29Å; D234-F236 HydrophobicContact CB-CE2 3.77Å
235V97.9Very high91.3Very high12 Ų1255.9 Ų55.97%0.07334%0.337CS..EExtended strand (participates in β ladder)trans-105.9129.5173.6-175.90000109.4T192 V193 R224 G225 A227T192-V235 HydrophobicContact CG2-CG1 4.2Å; V193-V235 CarbonylContact O-C 3.57Å; V193-V235 WeakPolarHBondContact O-CA 3.08Å; R224-V235 HydrophobicContact CB-CB 4.48Å; R224-V235 HydrophobicContact CB-CG1 4.41Å; R224-V235 WeakPolarHBondContact CB-O 3.46Å; R224-V235 PolarHBondContact N-O 3.48Å; G225-V235 PolarHBondContact N-O 3.19Å; G225-V235 PolarHBondContact O-N 2.8Å; A227-V235 HydrophobicContact CB-CG2 3.64Å
236F98.4Very high90.2Very high11 Ų1158.3 Ų58.35%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-115.4145.4173.9-75.1-104.9000110.1T192 V193 V195 K202 V204 A221 R222 W223 D234T192-F236 CarbonylContact C-O 3.56Å; T192-F236 VanDerWaalsContact CA-O 3.26Å; T192-F236 WeakPolarHBondContact CA-O 3.49Å; V193-F236 HydrophobicContact CB-CB 4.44Å; V193-F236 PolarHBondContact N-O 3.1Å; V193-F236 PolarHBondContact O-N 3.49Å; V195-F236 HydrophobicContact CG2-CD2 3.75Å; V195-F236 HydrophobicContact CG2-CE2 3.53Å; K202-F236 HydrophobicContact CB-CZ 3.83Å; K202-F236 HydrophobicContact CD-CE2 4.06Å; K202-F236 HydrophobicContact CD-CZ 4.08Å; V204-F236 HydrophobicContact CB-CB 4.32Å; V204-F236 HydrophobicContact CB-CD1 3.89Å; V204-F236 HydrophobicContact CB-CE1 4.38Å; V204-F236 HydrophobicContact CB-CG 4.02Å; V204-F236 HydrophobicContact CG1-CB 4.28Å; V204-F236 HydrophobicContact CG1-CG 4.46Å; V204-F236 HydrophobicContact CG2-CB 4.45Å; V204-F236 HydrophobicContact CG2-CD1 3.86Å; V204-F236 HydrophobicContact CG2-CD2 3.87Å; V204-F236 HydrophobicContact CG2-CE1 4.02Å; V204-F236 HydrophobicContact CG2-CE2 4.04Å; V204-F236 HydrophobicContact CG2-CG 3.79Å; V204-F236 HydrophobicContact CG2-CZ 4.13Å; A221-F236 HydrophobicContact CB-CB 3.95Å; A221-F236 HydrophobicContact CB-CD1 4.43Å; R222-F236 CarbonylContact O-C 3.55Å; R222-F236 WeakPolarHBondContact O-CA 3.41Å; W223-F236 HydrophobicContact CB-CD1 4.12Å; W223-F236 HydrophobicContact CB-CE1 3.69Å; W223-F236 HydrophobicContact CB-CZ 3.94Å; W223-F236 AromaticContact CD1-CE2 3.85Å; W223-F236 AromaticContact CD1-CZ 3.82Å; W223-F236 HydrophobicContact CG-CE1 4.49Å; W223-F236 HydrophobicContact CG-CZ 4.28Å; D234-F236 HydrophobicContact CB-CD2 4.29Å; D234-F236 HydrophobicContact CB-CE2 3.77Å
237T98.2Very high89.1Confident41 Ų4156.4 Ų56.425%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-110.9136.7174.547.40000111G191 T192 A221 R222 R224G191-T237 WeakPolarHBondContact O-CA 3.14Å; T192-T237 HydrophobicContact CG2-CG2 3.94Å; A221-T237 CarbonylContact C-O 3.51Å; A221-T237 WeakPolarHBondContact CA-O 3.3Å; A221-T237 WeakPolarHBondContact CB-O 3.29Å; R222-T237 PolarHBondContact N-O 2.92Å; R222-T237 PolarHBondContact O-N 3.06Å; R222-T237 PolarHBondContact O-OG1 2.95Å; R224-T237 HydrophobicContact CB-CG2 4.21Å; R224-T237 VanDerWaalsContact CZ-CG2 3.46Å
238F97.8Very high88.7Confident10 Ų1061.4 Ų61.44%0.04435%0.35CS..EExtended strand (participates in β ladder)trans-125.6160.6171.669.2-88000110.6L179 I189 S190 G191 V193 V206 A221 F240 F255L179-F238 HydrophobicContact CD1-CE1 3.6Å; L179-F238 HydrophobicContact CD1-CZ 3.82Å; I189-F238 HydrophobicContact CG2-CE2 4.33Å; S190-F238 VanDerWaalsContact CA-O 3.3Å; S190-F238 WeakPolarHBondContact CA-O 3.41Å; G191-F238 PolarHBondContact N-O 2.97Å; G191-F238 WeakPolarHBondContact O-CD1 3.41Å; G191-F238 PolarHBondContact O-N 3.43Å; V193-F238 HydrophobicContact CG2-CD1 3.74Å; V193-F238 HydrophobicContact CG2-CE1 3.75Å; V206-F238 HydrophobicContact CB-CD2 4.21Å; V206-F238 HydrophobicContact CB-CG 4.36Å; V206-F238 HydrophobicContact CG1-CD2 4.47Å; V206-F238 HydrophobicContact CG1-CE2 4.38Å; V206-F238 HydrophobicContact CG2-CB 3.93Å; V206-F238 HydrophobicContact CG2-CD1 3.61Å; V206-F238 HydrophobicContact CG2-CD2 3.68Å; V206-F238 HydrophobicContact CG2-CE1 3.96Å; V206-F238 HydrophobicContact CG2-CE2 4.03Å; V206-F238 HydrophobicContact CG2-CG 3.44Å; V206-F238 VanDerWaalsContact CG2-CG 3.44Å; V206-F238 HydrophobicContact CG2-CZ 4.15Å; A221-F238 HydrophobicContact CB-CB 3.91Å; F238-F240 HydrophobicContact CD2-CD1 4.03Å; F238-F240 AromaticContact CD2-CE1 4Å; F238-F240 HydrophobicContact CD2-CE1 4Å; F238-F240 HydrophobicContact CE2-CD1 4.3Å; F238-F240 AromaticContact CE2-CE1 3.81Å; F238-F240 HydrophobicContact CE2-CE1 3.81Å; F238-F255 HydrophobicContact CZ-CE2 4.27Å
239G96.9Very high88.6Confident46 Ų4664.6 Ų64.647%0.47436%0.359SS..EExtended strand (participates in β ladder)trans-158.1142.7168.600000110I189I189-G239 CarbonylContact O-C 3.52Å; I189-G239 WeakPolarHBondContact O-CA 3.44Å
240F95.8Very high88.7Confident7 Ų759.7 Ų59.73%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-142.8141.317255.5-90.7000110.7I189 V206 Y208 A219 F238 V242 V253I189-F240 HydrophobicContact CB-CD2 4.44Å; I189-F240 HydrophobicContact CB-CE1 4.2Å; I189-F240 HydrophobicContact CB-CE2 3.96Å; I189-F240 HydrophobicContact CB-CZ 3.82Å; I189-F240 HydrophobicContact CD1-CD2 4.46Å; I189-F240 HydrophobicContact CD1-CE2 3.47Å; I189-F240 VanDerWaalsContact CD1-CE2 3.47Å; I189-F240 HydrophobicContact CD1-CZ 3.65Å; I189-F240 HydrophobicContact CG1-CE2 4.27Å; I189-F240 HydrophobicContact CG1-CZ 4.37Å; I189-F240 HydrophobicContact CG2-CE1 4.14Å; I189-F240 HydrophobicContact CG2-CZ 3.95Å; I189-F240 PolarHBondContact N-O 3.43Å; I189-F240 PolarHBondContact O-N 3.5Å; V206-F240 HydrophobicContact CG1-CE1 3.97Å; Y208-F240 AromaticContact CD1-CD1 4Å; Y208-F240 HydrophobicContact CD1-CD1 4Å; Y208-F240 HydrophobicContact CD1-CD2 4.1Å; Y208-F240 HydrophobicContact CD1-CE1 4.14Å; Y208-F240 HydrophobicContact CD1-CE2 4.21Å; Y208-F240 AromaticContact CD1-CG 3.98Å; Y208-F240 HydrophobicContact CD1-CG 3.98Å; Y208-F240 HydrophobicContact CD1-CZ 4.25Å; Y208-F240 AromaticContact CD2-CD2 3.67Å; Y208-F240 HydrophobicContact CD2-CD2 3.67Å; Y208-F240 AromaticContact CD2-CE2 3.59Å; Y208-F240 HydrophobicContact CD2-CE2 3.59Å; Y208-F240 HydrophobicContact CD2-CG 4.36Å; Y208-F240 HydrophobicContact CD2-CZ 4.25Å; Y208-F240 HydrophobicContact CE1-CB 3.87Å; Y208-F240 HydrophobicContact CE1-CD1 4.13Å; Y208-F240 HydrophobicContact CE1-CD2 4.05Å; Y208-F240 AromaticContact CE1-CG 3.77Å; Y208-F240 HydrophobicContact CE1-CG 3.77Å; Y208-F240 HydrophobicContact CE2-CB 4.44Å; Y208-F240 AromaticContact CE2-CD2 3.59Å; Y208-F240 HydrophobicContact CE2-CD2 3.59Å; Y208-F240 HydrophobicContact CE2-CE2 4.02Å; Y208-F240 HydrophobicContact CE2-CG 4.15Å; Y208-F240 HydrophobicContact CG-CD1 4.42Å; Y208-F240 AromaticContact CG-CD2 3.93Å; Y208-F240 HydrophobicContact CG-CD2 3.93Å; Y208-F240 HydrophobicContact CG-CE1 4.24Å; Y208-F240 AromaticContact CG-CE2 3.7Å; Y208-F240 HydrophobicContact CG-CE2 3.7Å; Y208-F240 HydrophobicContact CG-CG 4.28Å; Y208-F240 AromaticContact CG-CZ 3.88Å; Y208-F240 HydrophobicContact CG-CZ 3.88Å; Y208-F240 AromaticContact CZ-CD2 3.79Å; Y208-F240 AromaticContact CZ-CG 3.86Å; A219-F240 HydrophobicContact CB-CB 3.93Å; A219-F240 HydrophobicContact CB-CD1 4.13Å; A219-F240 HydrophobicContact CB-CG 4.44Å; F238-F240 HydrophobicContact CD2-CD1 4.03Å; F238-F240 AromaticContact CD2-CE1 4Å; F238-F240 HydrophobicContact CD2-CE1 4Å; F238-F240 HydrophobicContact CE2-CD1 4.3Å; F238-F240 AromaticContact CE2-CE1 3.81Å; F238-F240 HydrophobicContact CE2-CE1 3.81Å; F240-V242 HydrophobicContact CD2-CG2 4.46Å; F240-V242 HydrophobicContact CE2-CG2 4.39Å; F240-V253 HydrophobicContact CE2-CG1 4.3Å
241P92.8Very high88.9Confident90 Ų9054.6 Ų54.658%0.58432%0.315SS*.  trans-69.5145.4-179.830.1-34.6000110.2
242V88.8Confident89.1Confident7 Ų760.5 Ų60.54%0.04233%0.33CS..  trans-114.4111.6168.4-174.10000107.7L155 I189 F210 F240 L247L155-V242 HydrophobicContact CD1-CB 4.43Å; L155-V242 HydrophobicContact CD1-CG1 4.27Å; L155-V242 HydrophobicContact CD1-CG2 4.05Å; I189-V242 HydrophobicContact CB-CG2 4.5Å; I189-V242 HydrophobicContact CD1-CG2 3.54Å; I189-V242 HydrophobicContact CG1-CG2 3.73Å; F210-V242 HydrophobicContact CE1-CB 4.42Å; F210-V242 HydrophobicContact CE1-CG1 3.78Å; F210-V242 HydrophobicContact CE1-CG2 4.13Å; F210-V242 HydrophobicContact CZ-CG1 4.43Å; F210-V242 HydrophobicContact CZ-CG2 4.46Å; F240-V242 HydrophobicContact CD2-CG2 4.46Å; F240-V242 HydrophobicContact CE2-CG2 4.39Å; V242-L247 HydrophobicContact CB-CD2 4.43Å; V242-L247 HydrophobicContact CG1-CD1 4.23Å; V242-L247 HydrophobicContact CG1-CD2 3.44Å; V242-L247 VanDerWaalsContact CG1-CD2 3.44Å; V242-L247 HydrophobicContact CG1-CG 3.79Å
243P84.3Confident89.1Confident39 Ų3954.1 Ų54.125%0.25330%0.302SS..  trans-59.1133.4179.4-22.831.2000111.4F245 L246P243-F245 HydrophobicContact CB-CD1 3.7Å; P243-F245 HydrophobicContact CB-CE1 3.27Å; P243-F245 HydrophobicContact CB-CE2 4.26Å; P243-F245 HydrophobicContact CB-CG 4.35Å; P243-F245 HydrophobicContact CB-CZ 3.58Å; P243-F245 HydrophobicContact CG-CE1 4.19Å; P243-F245 HydrophobicContact CG-CZ 4.12Å; P243-F245 PolarHBondContact O-N 3.27Å; P243-F245 VanDerWaalsContact O-N 3.16Å; P243-L246 HydrophobicContact CB-CD1 4.22Å; P243-L246 HydrophobicContact CB-CG 4.23Å; P243-L246 HydrophobicContact CG-CD1 3.9Å; P243-L246 HydrophobicContact CG-CG 4.45Å; P243-L246 WeakPolarHBondContact O-CB 3.03Å; P243-L246 PolarHBondContact O-N 2.81Å
244P79.4Confident89Confident105 Ų10554 Ų5468%0.68230%0.301SS*.G310 helixtrans-58.2-32.8-177.2-27.734.7000114L246 L247P244-L246 PolarHBondContact O-N 3.43Å; P244-L247 WeakPolarHBondContact O-CB 3.17Å; P244-L247 PolarHBondContact O-N 3.32Å
245F76.3Confident89Confident152 Ų15253.4 Ų53.467%0.66730%0.298SS*.G310 helixtrans-69-11.917766.2-97.5000113.7P243P243-F245 HydrophobicContact CB-CD1 3.7Å; P243-F245 HydrophobicContact CB-CE1 3.27Å; P243-F245 HydrophobicContact CB-CE2 4.26Å; P243-F245 HydrophobicContact CB-CG 4.35Å; P243-F245 HydrophobicContact CB-CZ 3.58Å; P243-F245 HydrophobicContact CG-CE1 4.19Å; P243-F245 HydrophobicContact CG-CZ 4.12Å; P243-F245 PolarHBondContact O-N 3.27Å; P243-F245 VanDerWaalsContact O-N 3.16Å
246L71.5Confident89Confident60 Ų6053 Ų5331%0.31430%0.296SS..G310 helixtrans-97.35.5173.5-61.7-179.7000112.5F210 P243 P244 S251F210-L246 HydrophobicContact CB-CD1 4.23Å; F210-L246 HydrophobicContact CD1-CD1 4.4Å; F210-L246 HydrophobicContact CD2-CD1 3.85Å; F210-L246 HydrophobicContact CE2-CD1 4.31Å; F210-L246 HydrophobicContact CG-CD1 3.9Å; P243-L246 HydrophobicContact CB-CD1 4.22Å; P243-L246 HydrophobicContact CB-CG 4.23Å; P243-L246 HydrophobicContact CG-CD1 3.9Å; P243-L246 HydrophobicContact CG-CG 4.45Å; P243-L246 WeakPolarHBondContact O-CB 3.03Å; P243-L246 PolarHBondContact O-N 2.81Å; P244-L246 PolarHBondContact O-N 3.43Å; L246-S251 WeakPolarHBondContact O-CB 3.47Å
247L73.4Confident88.9Confident36 Ų3652.5 Ų52.519%0.18829%0.294CS..  trans-10537.3-179.3-65.1177.8000112.3Q153 L155 V242 P244 C279Q153-L247 PolarHBondContact OE1-O 3.14Å; L155-L247 HydrophobicContact CD1-CD2 3.67Å; L155-L247 HydrophobicContact CD2-CD2 3.68Å; L155-L247 HydrophobicContact CG-CD2 3.56Å; V242-L247 HydrophobicContact CB-CD2 4.43Å; V242-L247 HydrophobicContact CG1-CD1 4.23Å; V242-L247 HydrophobicContact CG1-CD2 3.44Å; V242-L247 VanDerWaalsContact CG1-CD2 3.44Å; V242-L247 HydrophobicContact CG1-CG 3.79Å; P244-L247 WeakPolarHBondContact O-CB 3.17Å; P244-L247 PolarHBondContact O-N 3.32Å; L247-C279 PolarHBondContact O-SG 3.42Å
248E82.4Confident88.9Confident141 Ų14151.9 Ų51.966%0.65929%0.287SS*.  trans-61.3148.3170.4-64.7-179.3176.300110.2G250 S251 C279E248-G250 PolarHBondContact O-N 2.89Å; E248-S251 PolarHBondContact N-OG 3.25Å; E248-S251 WeakPolarHBondContact O-CB 3.38Å; E248-S251 PolarHBondContact O-N 3.44Å; E248-S251 PolarHBondContact O-OG 3.38Å; E248-C279 WeakPolarHBondContact O-CB 3.02Å
249L85.3Confident88.9Confident98 Ų9851.4 Ų51.451%0.51329%0.285SS..THydrogen-bonded Turntrans-55127.9-179-168.966.8000110.8S251 N281L249-S251 VanDerWaalsContact C-N 3.31Å; L249-N281 HydrophobicContact CD1-CB 4.27Å; L249-N281 VanDerWaalsContact CD1-OD1 3.29Å; L249-N281 WeakPolarHBondContact CD1-OD1 3.41Å
250G84.5Confident89Confident44 Ų4454 Ų5445%0.45428%0.28SS..THydrogen-bonded Turntrans84.1-5.1-176.100000115.4E248 C279E248-G250 PolarHBondContact O-N 2.89Å; G250-C279 PolarHBondContact N-O 3.2Å
251S88.8Confident89.1Confident33 Ų3353.9 Ų53.923%0.23128%0.28CS..  trans-59145.3170.9-62.90000111L246 E248 L249 T278 C279L246-S251 WeakPolarHBondContact O-CB 3.47Å; E248-S251 PolarHBondContact N-OG 3.25Å; E248-S251 WeakPolarHBondContact O-CB 3.38Å; E248-S251 PolarHBondContact O-N 3.44Å; E248-S251 PolarHBondContact O-OG 3.38Å; L249-S251 VanDerWaalsContact C-N 3.31Å; S251-T278 WeakPolarHBondContact O-CA 3.43Å; S251-C279 PolarHBondContact O-N 3.11Å
252R91.4Very high89.2Confident149 Ų14953.5 Ų53.556%0.56229%0.285SS*.EExtended strand (participates in β ladder)trans-122.8135.2-177.2-59.9-172.1-178-169.1-2111.6L277R252-L277 CarbonylContact C-O 3.46Å; R252-L277 VanDerWaalsContact CA-O 3.3Å; R252-L277 WeakPolarHBondContact CA-O 3.23Å
253V93.6Very high89.5Confident2 Ų257.6 Ų57.61%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-107126.8168.7-170.80000107.7L155 I189 F210 F240 S276 L277L155-V253 HydrophobicContact CD1-CG2 4.11Å; L155-V253 HydrophobicContact CD2-CG2 4.1Å; I189-V253 HydrophobicContact CD1-CB 4.2Å; I189-V253 HydrophobicContact CD1-CG1 3.86Å; I189-V253 HydrophobicContact CD1-CG2 4.28Å; F210-V253 HydrophobicContact CD1-CB 4.49Å; F210-V253 HydrophobicContact CD1-CG1 4.1Å; F210-V253 HydrophobicContact CD1-CG2 3.83Å; F210-V253 HydrophobicContact CE1-CG1 3.91Å; F210-V253 HydrophobicContact CE1-CG2 3.91Å; F240-V253 HydrophobicContact CE2-CG1 4.3Å; V253-S276 WeakPolarHBondContact O-CA 3.38Å; V253-L277 HydrophobicContact CB-CB 4.31Å; V253-L277 PolarHBondContact N-O 3.45Å; V253-L277 PolarHBondContact O-N 3.47Å
254H95.1Very high90.1Very high39 Ų3957.4 Ų57.418%0.18133%0.33CS..EExtended strand (participates in β ladder)trans-110.1141.3173.1-61.9-85.4000109.7Y208 T209 W213 Y275Y208-H254 CarbonylContact C-O 3.53Å; Y208-H254 WeakPolarHBondContact CA-O 3.44Å; T209-H254 HydrophobicContact CG2-CB 3.75Å; T209-H254 PolarHBondContact N-O 2.89Å; T209-H254 PolarHBondContact O-N 3.31Å; T209-H254 VanDerWaalsContact O-N 3.08Å; W213-H254 HydrophobicContact CZ2-CB 4.2Å; H254-Y275 CarbonylContact C-O 3.43Å; H254-Y275 VanDerWaalsContact CA-O 3.3Å; H254-Y275 WeakPolarHBondContact CA-O 3.23Å
255F96.7Very high90.9Very high0 Ų056.3 Ų56.30%032%0.316CS..EExtended strand (participates in β ladder)trans-149.1158.2173.569.8-84.4000112.8F159 L179 V182 V206 R207 F238 Y275 L277F159-F255 HydrophobicContact CZ-CZ 4.25Å; L179-F255 HydrophobicContact CD1-CE2 4.15Å; L179-F255 HydrophobicContact CD2-CE2 3.76Å; L179-F255 HydrophobicContact CD2-CZ 3.76Å; V182-F255 HydrophobicContact CG2-CZ 4.21Å; V206-F255 HydrophobicContact CG1-CB 3.85Å; V206-F255 HydrophobicContact CG1-CD2 3.66Å; V206-F255 HydrophobicContact CG1-CG 4.1Å; R207-F255 CarbonylContact O-C 3.6Å; R207-F255 WeakPolarHBondContact O-CA 3.24Å; R207-F255 WeakPolarHBondContact O-CB 3.48Å; F238-F255 HydrophobicContact CZ-CE2 4.27Å; F255-Y275 HydrophobicContact CD2-CD2 4.39Å; F255-Y275 HydrophobicContact CD2-CG 4.49Å; F255-Y275 VanDerWaalsContact CE1-CB 3.42Å; F255-Y275 HydrophobicContact CE1-CG 4.49Å; F255-Y275 HydrophobicContact CE2-CD2 4.05Å; F255-Y275 AromaticContact CE2-CG 3.94Å; F255-Y275 HydrophobicContact CE2-CG 3.94Å; F255-Y275 AromaticContact CZ-CG 3.95Å; F255-Y275 HydrophobicContact CZ-CG 3.95Å; F255-Y275 PolarHBondContact N-O 3.14Å; F255-Y275 WeakPolarHBondContact O-CB 3.34Å; F255-Y275 PolarHBondContact O-N 3Å; F255-L277 HydrophobicContact CD1-CD1 4.13Å; F255-L277 HydrophobicContact CE1-CD1 3.62Å; F255-L277 HydrophobicContact CE1-CG 4.18Å
256A97.1Very high91.9Very high4 Ų452.7 Ų52.73%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-139152.5173.300000109.3R207 W213 W267 N269R207-A256 PolarHBondContact N-O 3.32Å; R207-A256 PolarHBondContact O-N 2.95Å; W213-A256 HydrophobicContact CH2-CB 4.45Å; A256-W267 HydrophobicContact CB-CE3 4.12Å; A256-W267 HydrophobicContact CB-CZ3 4.27Å; A256-N269 HydrophobicContact CB-CB 4.13Å
257V97.8Very high93.1Very high0 Ų053.8 Ų53.80%030%0.298CS..EExtended strand (participates in β ladder)trans-100.9131.6-178.4-169.40000109.6V177 L179 V193 V204 V206 W267 D268V177-V257 HydrophobicContact CG2-CB 4.23Å; V177-V257 HydrophobicContact CG2-CG1 3.71Å; L179-V257 HydrophobicContact CB-CG2 4.33Å; L179-V257 HydrophobicContact CD1-CG2 4.41Å; V193-V257 HydrophobicContact CB-CG1 4.35Å; V193-V257 HydrophobicContact CG1-CG1 3.68Å; V193-V257 HydrophobicContact CG2-CG1 3.74Å; V193-V257 HydrophobicContact CG2-CG2 4.07Å; V204-V257 HydrophobicContact CG1-CG1 4.07Å; V206-V257 HydrophobicContact CG2-CG1 4.5Å; V206-V257 HydrophobicContact CG2-CG2 4.35Å; V257-W267 CarbonylContact O-C 3.51Å; V257-W267 WeakPolarHBondContact O-CA 3.33Å; V257-D268 HydrophobicContact CB-CB 4.25Å; V257-D268 PolarHBondContact N-O 3.13Å; V257-D268 PolarHBondContact O-N 3.09Å
258R97.8Very high94.2Very high27 Ų2752 Ų5210%0.10229%0.289CS..EExtended strand (participates in β ladder)trans-108.6133174.9-173.3-17771.3-162.2-10.6109.9V204 A205 E218 R260 E265 Y266 W267V204-R258 WeakPolarHBondContact CA-O 3.46Å; A205-R258 PolarHBondContact N-O 3.15Å; A205-R258 PolarHBondContact O-N 3.28Å; E218-R258 IonicContact OE1-CZ 2.69Å; E218-R258 IonicContact OE1-NH1 2.7Å; E218-R258 PolarHBondContact OE1-NH1 2.84Å; E218-R258 IonicContact OE1-NH2 3.67Å; E218-R258 IonicContact OE2-CZ 2.88Å; E218-R258 IonicContact OE2-NH1 3Å; E218-R258 PolarHBondContact OE2-NH1 3.09Å; E218-R258 IonicContact OE2-NH2 3.66Å; E218-R258 PolarHBondContact OE2-NH2 2.83Å; R258-R260 HydrophobicContact CG-CG 4.44Å; R258-E265 WeakPolarHBondContact CD-OE2 3.49Å; R258-E265 HydrophobicContact CG-CG 3.82Å; R258-Y266 WeakPolarHBondContact CA-O 3.36Å; R258-W267 HydrophobicContact CB-CD2 4.2Å; R258-W267 HydrophobicContact CB-CE3 3.97Å; R258-W267 HydrophobicContact CB-CH2 3.72Å; R258-W267 HydrophobicContact CB-CZ2 3.94Å; R258-W267 HydrophobicContact CB-CZ3 3.73Å; R258-W267 HydrophobicContact CG-CD2 4.28Å; R258-W267 HydrophobicContact CG-CH2 3.98Å; R258-W267 HydrophobicContact CG-CZ2 3.68Å; R258-W267 HydrophobicContact CG-CZ3 4.39Å
259Y98.3Very high94.8Very high0 Ų048 Ų480%027%0.272CS..EExtended strand (participates in β ladder)trans-125119.4172.5174.3-144.5000110.2L176 V177 V195 C196 K202 V204 V261 E265 Y266L176-Y259 HydrophobicContact CB-CD1 4.18Å; L176-Y259 HydrophobicContact CB-CE1 4.13Å; L176-Y259 WeakPolarHBondContact O-CD1 3.15Å; V177-Y259 HydrophobicContact CB-CD1 4.1Å; V177-Y259 HydrophobicContact CB-CG 4.28Å; V195-Y259 HydrophobicContact CB-CD1 4.13Å; V195-Y259 HydrophobicContact CB-CD2 4.49Å; V195-Y259 HydrophobicContact CB-CE1 3.89Å; V195-Y259 HydrophobicContact CB-CE2 4.3Å; V195-Y259 HydrophobicContact CB-CG 4.4Å; V195-Y259 HydrophobicContact CG1-CD1 4.12Å; V195-Y259 HydrophobicContact CG1-CD2 4.17Å; V195-Y259 HydrophobicContact CG1-CE1 4.37Å; V195-Y259 HydrophobicContact CG1-CE2 4.45Å; V195-Y259 HydrophobicContact CG1-CG 3.99Å; V195-Y259 HydrophobicContact CG2-CE2 4.34Å; C196-Y259 PolarHBondContact O-OH 2.99Å; K202-Y259 HydrophobicContact CB-CE2 3.86Å; K202-Y259 HydrophobicContact CD-CE2 4Å; K202-Y259 WeakPolarHBondContact CD-OH 3.43Å; K202-Y259 WeakPolarHBondContact CE-OH 3.4Å; K202-Y259 HydrophobicContact CG-CE2 3.86Å; V204-Y259 HydrophobicContact CG2-CD2 3.77Å; V204-Y259 HydrophobicContact CG2-CE2 4.35Å; Y259-V261 HydrophobicContact CD1-CG1 4.25Å; Y259-V261 HydrophobicContact CD2-CB 4.44Å; Y259-V261 HydrophobicContact CE1-CB 4.22Å; Y259-V261 HydrophobicContact CE1-CG1 3.61Å; Y259-V261 HydrophobicContact CE2-CB 3.64Å; Y259-V261 HydrophobicContact CE2-CG1 3.95Å; Y259-V261 HydrophobicContact CE2-CG2 4.41Å; Y259-V261 VanDerWaalsContact CZ-CG1 3.44Å; Y259-E265 CarbonylContact O-C 3.56Å; Y259-E265 WeakPolarHBondContact O-CA 3.28Å; Y259-Y266 HydrophobicContact CD1-CD2 4.18Å; Y259-Y266 PolarHBondContact N-O 2.93Å; Y259-Y266 PolarHBondContact O-N 3.34Å
260R98.1Very high95Very high101 Ų10144 Ų4438%0.38125%0.251SS..EExtended strand (participates in β ladder)trans-109.5128.4172.2-63.8175.4174.6177.1-4.5110Q203 R258 A264 E265Q203-R260 HydrophobicContact CB-CB 4.23Å; Q203-R260 PolarHBondContact N-O 3.2Å; Q203-R260 PolarHBondContact O-N 3.23Å; R258-R260 HydrophobicContact CG-CG 4.44Å; R260-A264 VanDerWaalsContact CA-O 3.27Å; R260-A264 WeakPolarHBondContact CA-O 3.33Å; R260-E265 HydrophobicContact CG-CB 4.15Å; R260-E265 HydrophobicContact CG-CG 3.98Å; R260-E265 IonicContact CZ-OE2 3.15Å; R260-E265 IonicContact NE-OE2 3.29Å; R260-E265 PolarHBondContact NE-OE2 3.28Å; R260-E265 IonicContact NH2-OE2 2.74Å; R260-E265 PolarHBondContact NH2-OE2 2.9Å
261V97.5Very high95.1Very high4 Ų444.8 Ų44.82%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-153.3139.117962.40000109.6V198 A199 K202 Y259 G263 A264 Y266V198-V261 HydrophobicContact CB-CG1 4.38Å; V198-V261 HydrophobicContact CB-CG2 4.15Å; A199-V261 HydrophobicContact CB-CG2 3.63Å; K202-V261 HydrophobicContact CG-CG2 4.36Å; Y259-V261 HydrophobicContact CD1-CG1 4.25Å; Y259-V261 HydrophobicContact CD2-CB 4.44Å; Y259-V261 HydrophobicContact CE1-CB 4.22Å; Y259-V261 HydrophobicContact CE1-CG1 3.61Å; Y259-V261 HydrophobicContact CE2-CB 3.64Å; Y259-V261 HydrophobicContact CE2-CG1 3.95Å; Y259-V261 HydrophobicContact CE2-CG2 4.41Å; Y259-V261 VanDerWaalsContact CZ-CG1 3.44Å; V261-G263 PolarHBondContact O-N 3.43Å; V261-G263 VanDerWaalsContact O-N 3.07Å; V261-A264 PolarHBondContact N-O 2.86Å; V261-A264 PolarHBondContact O-N 2.79Å; V261-Y266 HydrophobicContact CG1-CD2 4.17Å; V261-Y266 HydrophobicContact CG1-CE2 3.78Å
262A95.4Very high94.9Very high83 Ų8353.7 Ų53.769%0.68627%0.273SS*.THydrogen-bonded Turntrans50.235.4177.300000114.6A199 A264A199-A262 HydrophobicContact CB-CB 4.37Å; A262-A264 VanDerWaalsContact C-N 3.28Å; A262-A264 PolarHBondContact O-N 2.85Å
263G94.6Very high94.6Very high92 Ų9254.2 Ų54.295%0.94828%0.275SS*.THydrogen-bonded Turntrans79.5-1.8-179.800000115.7V261V261-G263 PolarHBondContact O-N 3.43Å; V261-G263 VanDerWaalsContact O-N 3.07Å
264A96.4Very high94.4Very high35 Ų3555.6 Ų55.629%0.28928%0.283SS..EExtended strand (participates in β ladder)trans-102.4156.2174.500000111.8R260 V261 A262 Y266R260-A264 VanDerWaalsContact CA-O 3.27Å; R260-A264 WeakPolarHBondContact CA-O 3.33Å; V261-A264 PolarHBondContact N-O 2.86Å; V261-A264 PolarHBondContact O-N 2.79Å; A262-A264 VanDerWaalsContact C-N 3.28Å; A262-A264 PolarHBondContact O-N 2.85Å; A264-Y266 HydrophobicContact CB-CE2 3.63Å
265E97.4Very high94.4Very high82 Ų8253.8 Ų53.838%0.38327%0.274SS..EExtended strand (participates in β ladder)trans-123.5130.6178.4-175.3176.6101.500110.2R258 Y259 R260 W267R258-E265 WeakPolarHBondContact CD-OE2 3.49Å; R258-E265 HydrophobicContact CG-CG 3.82Å; Y259-E265 CarbonylContact O-C 3.56Å; Y259-E265 WeakPolarHBondContact O-CA 3.28Å; R260-E265 HydrophobicContact CG-CB 4.15Å; R260-E265 HydrophobicContact CG-CG 3.98Å; R260-E265 IonicContact CZ-OE2 3.15Å; R260-E265 IonicContact NE-OE2 3.29Å; R260-E265 PolarHBondContact NE-OE2 3.28Å; R260-E265 IonicContact NH2-OE2 2.74Å; R260-E265 PolarHBondContact NH2-OE2 2.9Å; E265-W267 PolarHBondContact OE1-NE1 3.08Å
266Y97.4Very high94.3Very high76 Ų7654.8 Ų54.830%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-124.2146.8-179.5-54.5-85.5000109.5Q175 L176 R258 Y259 V261 A264Q175-Y266 VanDerWaalsContact O-CB 3.32Å; Q175-Y266 WeakPolarHBondContact O-CB 3.22Å; L176-Y266 HydrophobicContact CB-CG 4.37Å; L176-Y266 HydrophobicContact CD1-CD1 3.97Å; L176-Y266 HydrophobicContact CD1-CD2 4.09Å; L176-Y266 HydrophobicContact CD1-CE1 3.55Å; L176-Y266 HydrophobicContact CD1-CE2 3.69Å; L176-Y266 HydrophobicContact CD1-CG 4.22Å; L176-Y266 HydrophobicContact CG-CD1 4.37Å; L176-Y266 HydrophobicContact CG-CE1 4.33Å; R258-Y266 WeakPolarHBondContact CA-O 3.36Å; Y259-Y266 HydrophobicContact CD1-CD2 4.18Å; Y259-Y266 PolarHBondContact N-O 2.93Å; Y259-Y266 PolarHBondContact O-N 3.34Å; V261-Y266 HydrophobicContact CG1-CD2 4.17Å; V261-Y266 HydrophobicContact CG1-CE2 3.78Å; A264-Y266 HydrophobicContact CB-CE2 3.63Å
267W96.7Very high94.2Very high83 Ų8354.6 Ų54.631%0.31428%0.28SS..EExtended strand (participates in β ladder)trans-129136.9-176.8-72.888.3000111.1R207 A256 V257 R258 E265R207-W267 HydrophobicContact CB-CH2 4.16Å; R207-W267 HydrophobicContact CB-CZ3 4Å; A256-W267 HydrophobicContact CB-CE3 4.12Å; A256-W267 HydrophobicContact CB-CZ3 4.27Å; V257-W267 CarbonylContact O-C 3.51Å; V257-W267 WeakPolarHBondContact O-CA 3.33Å; R258-W267 HydrophobicContact CB-CD2 4.2Å; R258-W267 HydrophobicContact CB-CE3 3.97Å; R258-W267 HydrophobicContact CB-CH2 3.72Å; R258-W267 HydrophobicContact CB-CZ2 3.94Å; R258-W267 HydrophobicContact CB-CZ3 3.73Å; R258-W267 HydrophobicContact CG-CD2 4.28Å; R258-W267 HydrophobicContact CG-CH2 3.98Å; R258-W267 HydrophobicContact CG-CZ2 3.68Å; R258-W267 HydrophobicContact CG-CZ3 4.39Å; E265-W267 PolarHBondContact OE1-NE1 3.08Å
268D96.5Very high94Very high0 Ų055.3 Ų55.30%028%0.284CS..EExtended strand (participates in β ladder)trans-110.3102.8163.4-176.925000108.9R171 Q175 V177 C178 L179 V257 N270 Y275R171-D268 IonicContact NH2-OD1 3.33Å; R171-D268 PolarHBondContact NH2-OD1 2.76Å; R171-D268 IonicContact NH2-OD2 3.98Å; Q175-D268 PolarHBondContact NE2-OD1 3.42Å; V177-D268 HydrophobicContact CG1-CB 4.17Å; V177-D268 HydrophobicContact CG2-CB 4.46Å; C178-D268 VanDerWaalsContact CA-OD2 3.25Å; C178-D268 WeakPolarHBondContact CA-OD2 3.5Å; L179-D268 PolarHBondContact N-OD2 3.3Å; V257-D268 HydrophobicContact CB-CB 4.25Å; V257-D268 PolarHBondContact N-O 3.13Å; V257-D268 PolarHBondContact O-N 3.09Å; D268-N270 PolarHBondContact OD1-N 3.42Å; D268-Y275 WeakPolarHBondContact OD2-CE2 3.38Å; D268-Y275 PolarHBondContact OD2-OH 3.45Å
269N93.8Very high93.6Very high55 Ų5554.1 Ų54.129%0.29428%0.28SS..  trans-11527.9177.868.4-5.8000111.4A256 D271 R272 R273 D274A256-N269 HydrophobicContact CB-CB 4.13Å; N269-D271 PolarHBondContact O-N 2.87Å; N269-R272 PolarHBondContact O-N 3.07Å; N269-R272 PolarHBondContact OD1-N 3.02Å; N269-R272 VanDerWaalsContact OD1-N 3.1Å; N269-R273 PolarHBondContact O-N 3.45Å; N269-D274 VanDerWaalsContact O-CA 3.3Å; N269-D274 WeakPolarHBondContact O-CA 3.29Å; N269-D274 PolarHBondContact O-N 2.9Å
270N90.1Very high93.3Very high16 Ų1659.6 Ų59.69%0.08630%0.301CS..THydrogen-bonded Turntrans53.349.3178.3-173.524.2000112.6D268 R272 R273 D274 Y275D268-N270 PolarHBondContact OD1-N 3.42Å; N270-R272 PolarHBondContact O-N 3.15Å; N270-R273 WeakPolarHBondContact O-CB 3.35Å; N270-R273 PolarHBondContact O-N 3.13Å; N270-R273 VanDerWaalsContact O-N 3.16Å; N270-R273 PolarHBondContact O-NH2 2.87Å; N270-R273 PolarHBondContact OD1-NH2 2.85Å; N270-D274 PolarHBondContact ND2-O 2.91Å; N270-Y275 HydrophobicContact CB-CD1 4.16Å; N270-Y275 HydrophobicContact CB-CD2 4.23Å; N270-Y275 HydrophobicContact CB-CE1 3.96Å; N270-Y275 HydrophobicContact CB-CE2 4Å; N270-Y275 HydrophobicContact CB-CG 4.32Å
271D86.1Confident92.7Very high60 Ų6058.4 Ų58.432%0.32130%0.302SS..THydrogen-bonded Turntrans51.650.1-176.1-59-58.1000113.3R174 N269 R273R174-D271 IonicContact NH2-OD1 3.74Å; R174-D271 PolarHBondContact NH2-OD1 3.09Å; N269-D271 PolarHBondContact O-N 2.87Å; D271-R273 VanDerWaalsContact C-N 3.27Å; D271-R273 PolarHBondContact O-N 3.32Å; D271-R273 IonicContact OD2-NH2 3.54Å
272R85.4Confident91.9Very high219 Ų21963.2 Ų63.283%0.82632%0.324SS*.THydrogen-bonded Turntrans70.87.5-179.6-46-179.4179.6-157.5-0.9116.2N269 N270N269-R272 PolarHBondContact O-N 3.07Å; N269-R272 PolarHBondContact OD1-N 3.02Å; N269-R272 VanDerWaalsContact OD1-N 3.1Å; N270-R272 PolarHBondContact O-N 3.15Å
273R85.2Confident91.1Very high160 Ų16061.3 Ų61.360%0.60431%0.308SS*.THydrogen-bonded Turntrans-91.1-12.7174.8-64.4-177.5-65-103.8-7.8113.5N269 N270 D271N269-R273 PolarHBondContact O-N 3.45Å; N270-R273 WeakPolarHBondContact O-CB 3.35Å; N270-R273 PolarHBondContact O-N 3.13Å; N270-R273 VanDerWaalsContact O-N 3.16Å; N270-R273 PolarHBondContact O-NH2 2.87Å; N270-R273 PolarHBondContact OD1-NH2 2.85Å; D271-R273 VanDerWaalsContact C-N 3.27Å; D271-R273 PolarHBondContact O-N 3.32Å; D271-R273 IonicContact OD2-NH2 3.54Å
274D90.2Very high90Very high31 Ų3160.4 Ų60.417%0.16628%0.281CS..  trans56.2166-164.8-60.3-36.1000112.7W213 N269 N270W213-D274 HydrophobicContact CZ2-CB 4.46Å; W213-D274 WeakPolarHBondContact CZ2-OD2 3.26Å; W213-D274 PolarHBondContact NE1-OD2 2.84Å; N269-D274 VanDerWaalsContact O-CA 3.3Å; N269-D274 WeakPolarHBondContact O-CA 3.29Å; N269-D274 PolarHBondContact O-N 2.9Å; N270-D274 PolarHBondContact ND2-O 2.91Å
275Y95.1Very high88.3Confident1 Ų165.5 Ų65.50%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-86.5122.5167.5-68.4-75000108.7F159 P162 R171 L179 H254 F255 D268 N270F159-Y275 AromaticContact CD1-CD1 3.94Å; F159-Y275 HydrophobicContact CD1-CD1 3.94Å; F159-Y275 AromaticContact CD2-CD1 3.83Å; F159-Y275 HydrophobicContact CD2-CD1 3.83Å; F159-Y275 HydrophobicContact CD2-CE1 4.07Å; F159-Y275 AromaticContact CE1-CD1 3.66Å; F159-Y275 HydrophobicContact CE1-CD1 3.66Å; F159-Y275 HydrophobicContact CE1-CG 4.23Å; F159-Y275 AromaticContact CE2-CD1 3.55Å; F159-Y275 HydrophobicContact CE2-CD1 3.55Å; F159-Y275 AromaticContact CE2-CE1 3.95Å; F159-Y275 HydrophobicContact CE2-CE1 3.95Å; F159-Y275 HydrophobicContact CG-CD1 4.02Å; F159-Y275 AromaticContact CZ-CD1 3.45Å; F159-Y275 HydrophobicContact CZ-CD1 3.45Å; F159-Y275 VanDerWaalsContact CZ-CD1 3.45Å; F159-Y275 HydrophobicContact CZ-CE1 4.29Å; F159-Y275 HydrophobicContact CZ-CG 4.16Å; P162-Y275 HydrophobicContact CG-CE1 4Å; R171-Y275 PolarHBondContact NH2-OH 3.04Å; L179-Y275 HydrophobicContact CB-CD2 4.48Å; L179-Y275 HydrophobicContact CB-CE1 4.15Å; L179-Y275 HydrophobicContact CB-CE2 3.77Å; L179-Y275 HydrophobicContact CD2-CD1 3.56Å; L179-Y275 HydrophobicContact CD2-CD2 4.03Å; L179-Y275 HydrophobicContact CD2-CE1 3.55Å; L179-Y275 HydrophobicContact CD2-CE2 4.04Å; L179-Y275 HydrophobicContact CD2-CG 3.78Å; L179-Y275 HydrophobicContact CG-CE1 4.46Å; H254-Y275 CarbonylContact C-O 3.43Å; H254-Y275 VanDerWaalsContact CA-O 3.3Å; H254-Y275 WeakPolarHBondContact CA-O 3.23Å; F255-Y275 HydrophobicContact CD2-CD2 4.39Å; F255-Y275 HydrophobicContact CD2-CG 4.49Å; F255-Y275 VanDerWaalsContact CE1-CB 3.42Å; F255-Y275 HydrophobicContact CE1-CG 4.49Å; F255-Y275 HydrophobicContact CE2-CD2 4.05Å; F255-Y275 AromaticContact CE2-CG 3.94Å; F255-Y275 HydrophobicContact CE2-CG 3.94Å; F255-Y275 AromaticContact CZ-CG 3.95Å; F255-Y275 HydrophobicContact CZ-CG 3.95Å; F255-Y275 PolarHBondContact N-O 3.14Å; F255-Y275 WeakPolarHBondContact O-CB 3.34Å; F255-Y275 PolarHBondContact O-N 3Å; D268-Y275 WeakPolarHBondContact OD2-CE2 3.38Å; D268-Y275 PolarHBondContact OD2-OH 3.45Å; N270-Y275 HydrophobicContact CB-CD1 4.16Å; N270-Y275 HydrophobicContact CB-CD2 4.23Å; N270-Y275 HydrophobicContact CB-CE1 3.96Å; N270-Y275 HydrophobicContact CB-CE2 4Å; N270-Y275 HydrophobicContact CB-CG 4.32Å
276S94.6Very high86.5Confident22 Ų2267.8 Ų67.815%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-118138.1-178.441.10000111.7D158 F159 V253D158-S276 PolarHBondContact N-O 2.9Å; F159-S276 WeakPolarHBondContact CD1-O 3.4Å; F159-S276 VanDerWaalsContact CE1-O 3.25Å; F159-S276 WeakPolarHBondContact CE1-O 3.39Å; V253-S276 WeakPolarHBondContact O-CA 3.38Å
277L93.9Very high84.6Confident0 Ų068.1 Ų68.10%032%0.322CS..EExtended strand (participates in β ladder)trans-124.7126.4174.9-67.3153.8000107.5L155 V156 P157 C184 I189 R252 V253 F255L155-L277 HydrophobicContact CB-CB 4.41Å; L155-L277 HydrophobicContact CD2-CB 4.31Å; V156-L277 WeakPolarHBondContact O-CA 3.29Å; P157-L277 HydrophobicContact CB-CD2 4.03Å; P157-L277 HydrophobicContact CG-CD2 3.69Å; C184-L277 VanDerWaalsContact SG-CD2 3.58Å; I189-L277 HydrophobicContact CD1-CD1 3.35Å; I189-L277 HydrophobicContact CG1-CD1 3.82Å; I189-L277 HydrophobicContact CG2-CD1 4.03Å; R252-L277 CarbonylContact C-O 3.46Å; R252-L277 VanDerWaalsContact CA-O 3.3Å; R252-L277 WeakPolarHBondContact CA-O 3.23Å; V253-L277 HydrophobicContact CB-CB 4.31Å; V253-L277 PolarHBondContact N-O 3.45Å; V253-L277 PolarHBondContact O-N 3.47Å; F255-L277 HydrophobicContact CD1-CD1 4.13Å; F255-L277 HydrophobicContact CE1-CD1 3.62Å; F255-L277 HydrophobicContact CE1-CG 4.18Å
278T93Very high82.6Confident15 Ų1572.4 Ų72.49%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-109.9134.8178.4-65.20000110.1V156 D158 S251 R280V156-T278 PolarHBondContact N-O 3.09Å; V156-T278 PolarHBondContact O-N 2.88Å; D158-T278 PolarHBondContact OD1-OG1 2.89Å; D158-T278 WeakPolarHBondContact OD2-CB 3.49Å; D158-T278 PolarHBondContact OD2-N 2.95Å; D158-T278 PolarHBondContact OD2-OG1 2.84Å; S251-T278 WeakPolarHBondContact O-CA 3.43Å; T278-R280 HydrophobicContact CG2-CG 4.23Å; T278-R280 PolarHBondContact O-N 2.97Å
279C91.1Very high80.6Confident2 Ų276 Ų761%0.01438%0.375CS..EExtended strand (participates in β ladder)trans-70.7120.4171.8-173.50000109.7C154 L155 L247 E248 G250 S251C154-C279 WeakPolarHBondContact O-CA 3.19Å; L155-C279 HydrophobicContact CD2-CB 4.11Å; L247-C279 PolarHBondContact O-SG 3.42Å; E248-C279 WeakPolarHBondContact O-CB 3.02Å; G250-C279 PolarHBondContact N-O 3.2Å; S251-C279 PolarHBondContact O-N 3.11Å
280R90.1Very high78.4Confident114 Ų11479.3 Ų79.343%0.4339%0.389SS..EExtended strand (participates in β ladder)trans-127.8152.6-178.7-59.8-176.7-174.1-177.41.5110Q153 C154 V156 D158 T278Q153-R280 WeakPolarHBondContact CA-O 3.37Å; C154-R280 PolarHBondContact N-O 2.79Å; C154-R280 PolarHBondContact O-N 2.78Å; V156-R280 HydrophobicContact CB-CG 4.46Å; V156-R280 HydrophobicContact CG2-CB 4.17Å; V156-R280 HydrophobicContact CG2-CG 4.36Å; D158-R280 IonicContact OD1-CZ 3.53Å; D158-R280 IonicContact OD1-NE 3.49Å; D158-R280 IonicContact OD1-NH2 2.73Å; D158-R280 PolarHBondContact OD1-NH2 3.41Å; T278-R280 HydrophobicContact CG2-CG 4.23Å; T278-R280 PolarHBondContact O-N 2.97Å
281N86.7Confident76.4Confident77 Ų7784 Ų8441%0.41242%0.422SS..EExtended strand (participates in β ladder)trans-76.4128.1167.9-75-17.6000108.7T151 Q153 L249T151-N281 HydrophobicContact CG2-CB 4.38Å; Q153-N281 WeakPolarHBondContact CG-OD1 3.34Å; L249-N281 HydrophobicContact CD1-CB 4.27Å; L249-N281 VanDerWaalsContact CD1-OD1 3.29Å; L249-N281 WeakPolarHBondContact CD1-OD1 3.41Å
282H80.4Confident74.7Confident104 Ų10489.4 Ų89.448%0.48145%0.445SS..EExtended strand (participates in β ladder)trans-109.4113.5170-162.1-57.3000108L152 L284L152-H282 PolarHBondContact N-O 3.48Å; L152-H282 PolarHBondContact O-N 3.42Å; H282-L284 PolarHBondContact O-N 3.42Å
283A77.9Confident72.9Confident43 Ų4387.3 Ų87.336%0.35545%0.445SS..EExtended strand (participates in β ladder)trans-65.9121.6172.400000109E149E149-A283 HydrophobicContact CG-CB 3.83Å; E149-A283 WeakPolarHBondContact OE1-CB 3.31Å
284L71.9Confident71.1Confident74 Ų7483.8 Ų83.839%0.38745%0.445SS..EExtended strand (participates in β ladder)trans-95110.7164.9-65-172000107.8F150 L152 H282 M286F150-L284 HydrophobicContact CB-CB 4.34Å; F150-L284 WeakPolarHBondContact O-CB 3.34Å; F150-L284 PolarHBondContact O-N 2.88Å; L152-L284 HydrophobicContact CD1-CD1 3.37Å; L152-L284 HydrophobicContact CD1-CG 4.06Å; L152-L284 HydrophobicContact CG-CD1 3.65Å; L152-L284 HydrophobicContact CG-CG 4.04Å; H282-L284 PolarHBondContact O-N 3.42Å; L284-M286 PolarHBondContact O-N 3.13Å
285H61.4Low69.2Low142 Ų14292 Ų9266%0.65747%0.473SS*.  trans-85.1110171.3-165.5-72000108.2P287H285-P287 WeakPolarHBondContact O-CD 3.39Å
286M58.7Low67.2Low130 Ų13098.1 Ų98.164%0.6451%0.505SS*.  trans-62.3123166.8-81.2-78-177.700108F150 L284 R288F150-M286 HydrophobicContact CD2-CG 4.31Å; F150-M286 HydrophobicContact CE2-CE 4.45Å; F150-M286 HydrophobicContact CE2-CG 4.23Å; L284-M286 PolarHBondContact O-N 3.13Å; M286-R288 PolarHBondContact O-N 3.31Å
287P58.3Low64.5Low82 Ų82104.6 Ų104.653%0.53253%0.532SS..  trans-57.8112.8174.920-27.7000108.5H285 G289H285-P287 WeakPolarHBondContact O-CD 3.39Å; P287-G289 PolarHBondContact O-N 3.06Å
288R54.4Low62.1Low174 Ų174113.5 Ų113.566%0.65757%0.571SS**THydrogen-bonded Turntrans-70.2112.3177.8-73.7-176174.2-163.97.3107.4D147 M286D147-R288 IonicContact OD1-NH2 2.81Å; D147-R288 PolarHBondContact OD1-NH2 3.46Å; D147-R288 VanDerWaalsContact OD1-NH2 3.16Å; M286-R288 PolarHBondContact O-N 3.31Å
289G54.6Low59.5Low74 Ų74123.9 Ų123.976%0.76362%0.624SS**THydrogen-bonded Turntrans108.5-3.9167.900000117.5P287P287-G289 PolarHBondContact O-N 3.06Å
290E48Very low58Low126 Ų126130 Ų13059%0.58965%0.654SS**  trans-105.79.7177.2-66.1-177.2177.500113.5E292 E293 S294E290-E292 PolarHBondContact O-N 2.96Å; E290-E293 PolarHBondContact O-N 3.34Å; E290-S294 PolarHBondContact O-N 3.01Å
291C47.1Very low56.3Low114 Ų114130.8 Ų130.877%0.7767%0.666SS**THydrogen-bonded Turntrans-72.4-16.9178.2-162.50000112.9
292E51.8Low54.6Low174 Ų174133.8 Ų133.881%0.81368%0.68SS**THydrogen-bonded Turntrans-79.4-24.5177-67.6-167.2155.500112.9E290E290-E292 PolarHBondContact O-N 2.96Å
293E46.2Very low53.1Low175 Ų175135.5 Ų135.582%0.81869%0.692SS**THydrogen-bonded Turntrans-104.7-18.6-176.2-67.6-177.916600114E290 W295E290-E293 PolarHBondContact O-N 3.34Å; E293-W295 PolarHBondContact O-N 3.29Å; E293-W295 VanDerWaalsContact O-N 3.14Å
294S47.8Very low51.5Low86 Ų86141.3 Ų141.360%0.60171%0.713SS**  trans-88.668.8177.5-79.90000112.8E290 I296E290-S294 PolarHBondContact O-N 3.01Å; S294-I296 PolarHBondContact O-N 3.32Å
295W49.5Very low50.1Low203 Ų203145.8 Ų145.877%0.76974%0.735SS**  trans-76.8101.2157.7-67.490.9000108.2E293 H297E293-W295 PolarHBondContact O-N 3.29Å; E293-W295 VanDerWaalsContact O-N 3.14Å; W295-H297 VanDerWaalsContact C-N 3.29Å; W295-H297 PolarHBondContact O-CD2 3.29Å; W295-H297 PolarHBondContact O-N 3.29Å
296I54.6Low49.3Very low130 Ų130146.1 Ų146.167%0.66774%0.74SS**  trans-66.196.1165.9-57.7174.2000106.9S294 F298S294-I296 PolarHBondContact O-N 3.32Å; I296-F298 HydrophobicContact CB-CE2 4.37Å; I296-F298 HydrophobicContact CG2-CD1 4.5Å; I296-F298 HydrophobicContact CG2-CD2 4.17Å; I296-F298 HydrophobicContact CG2-CE1 4.14Å; I296-F298 HydrophobicContact CG2-CE2 3.79Å; I296-F298 HydrophobicContact CG2-CZ 3.77Å; I296-F298 PolarHBondContact O-N 3.19Å
297H38.1Very low48.6Very low157 Ų157147.3 Ų147.373%0.72775%0.748SS**  trans-72.6104.1166.4-74.9-86.1000108W295 I299W295-H297 VanDerWaalsContact C-N 3.29Å; W295-H297 PolarHBondContact O-CD2 3.29Å; W295-H297 PolarHBondContact O-N 3.29Å; H297-I299 PolarHBondContact O-N 3.42Å; H297-I299 VanDerWaalsContact O-N 3.11Å
298F41.8Very low47.8Very low188 Ų188152.8 Ų152.883%0.82577%0.766SS**  trans-70.9101.6159.9-63.5-82.2000106.9I296I296-F298 HydrophobicContact CB-CE2 4.37Å; I296-F298 HydrophobicContact CG2-CD1 4.5Å; I296-F298 HydrophobicContact CG2-CD2 4.17Å; I296-F298 HydrophobicContact CG2-CE1 4.14Å; I296-F298 HydrophobicContact CG2-CE2 3.79Å; I296-F298 HydrophobicContact CG2-CZ 3.77Å; I296-F298 PolarHBondContact O-N 3.19Å
299I39.9Very low47.2Very low232 Ų232150.8 Ų150.8100%1.1978%0.776SS**  trans-73.20173.5-27175.8000109.5H297H297-I299 PolarHBondContact O-N 3.42Å; H297-I299 VanDerWaalsContact O-N 3.11Å

Retrieved 299 of 299 residues in 679.5 ms (Link to these results)