A0A096NM14_PAPAN Loading...

SHC adaptor protein 4

AlphaFold DB , UniProt , Accession A0A096NM14, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 630 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
1M37.2Very low32.3Very low238 Ų238155.7 Ų155.7100%1.17282%0.821SS**  0141.60-67.2-175.9-136.900107.9
2R38.4Very low32Very low244 Ų244157.2 Ų157.292%0.92183%0.828SS**  trans62.392.7-161.5-52-173.2-169.1-169.74.4110.1
3E33.3Very low31.8Very low167 Ų167155.5 Ų155.578%0.7883%0.828SS**  cis69.410226.1-159.6-142.1130.500113.7
4R33.3Very low31.5Very low231 Ų231155.7 Ų155.787%0.87283%0.828SS**  -158.2140.6110.5-103.1177.7-178.3-176.6-0.9110.9
5S30.1Very low31.2Very low107 Ų107159.6 Ų159.675%0.74883%0.829SS**  trans-136.7-174.3178.8-57.50000108.3
6Q33.7Very low30.8Very low170 Ų170157.1 Ų157.179%0.79482%0.822SS**  trans72.7140.9177.1-62.6-171.8-92.100113.8
7D29.4Very low30.5Very low130 Ų130151.6 Ų151.670%0.69581%0.812SS**  cis-157.5175.61.6-96-22.9000108
8S28.4Very low30.4Very low85 Ų85151.9 Ų151.959%0.59481%0.813SS**  cis-169.5165.1-32.764.60000110.3
9L32.2Very low30.3Very low168 Ų168154.7 Ų154.788%0.8882%0.817SS**  trans69.2156.7149.1-86161000123.8
10A30.2Very low30.2Very low102 Ų102150.8 Ų150.884%0.84382%0.815SS**  trans68.6123.1170.200000119
11G28.8Very low30.6Very low71 Ų71153 Ų15373%0.73282%0.82SS**  cis170.8163.9-9.300000113.8
12L28.8Very low30.8Very low173 Ų173147.9 Ų147.991%0.90681%0.805SS**  trans37.3135.4153.9-62.8162.8000119.5
13V29.8Very low30.4Very low136 Ų136139.3 Ų139.382%0.82479%0.793SS**  -158.6160.455.9166.70000111.3
14L27.9Very low30.2Very low158 Ų158139.1 Ų139.183%0.82779%0.794SS**  trans-105.5135.9173.8-69.8159.9000113.4
15Y25.9Very low30.4Very low214 Ų214136.5 Ų136.584%0.83980%0.796SS**  trans175.8137.5140.3-116.9-122.6000108.1
16V25.9Very low30.6Very low120 Ų120139.7 Ų139.773%0.72780%0.799SS**  cis72.9118.445.41800000113.8
17G25Very low30.5Very low63 Ų63142.1 Ų142.165%0.64980%0.801SS**  trans128.984.2149.100000121.2
18L29.2Very low30.7Very low157 Ų157140.1 Ų140.182%0.82280%0.802SS**  63148.5126.9-67.8164.7000125
19F28Very low30.9Very low205 Ų205142.9 Ų142.990%0.89980%0.804SS**  trans68.9127.9156.5-78.1-67.1000122.7
20G28.7Very low30.9Very low76 Ų76144.9 Ų144.978%0.78480%0.801SS**  trans136.2111.6148.700000117.5
21H37.3Very low31.1Very low197 Ų197144.4 Ų144.491%0.91279%0.791SS**  trans-79.6147156.1-67.7-63.1000109.5
22P42.9Very low31.5Very low131 Ų131151 Ų15185%0.85179%0.794SS**  -156.5-173.797.241.4-23.5000115.2
23G29.1Very low31.6Very low65 Ų65151.2 Ų151.267%0.6779%0.788SS**  118.675.6129.800000120.2
24M30.4Very low31.5Very low162 Ų162155.7 Ų155.780%0.79879%0.79SS**  trans3117.3131.6-178.1179.968.800117.2
25L36.8Very low31.7Very low176 Ų176154.3 Ų154.392%0.92178%0.783SS**PPolyproline II helixtrans-74.6150.8177.1-83.2171.7000114.2
26H35Very low31.9Very low175 Ų175151.3 Ų151.381%0.8178%0.777SS**PPolyproline II helixtrans-99.7161-167-90.1-118000115.6
27R31.3Very low32.2Very low220 Ų220149.1 Ų149.183%0.8377%0.767SS**PPolyproline II helixtrans-97.5140.3-177.4167-173.3177.4175.82.2113.8
28A32.5Very low32.5Very low88 Ų88153.2 Ų153.273%0.72777%0.773SS**  trans-119.7140.1148.700000107.8
29K33.3Very low32.5Very low143 Ų143151.5 Ų151.562%0.62277%0.769SS**  cis68.1116.641.2-59.6-175.1178.6-178.20110.8
30Y32.3Very low32.6Very low211 Ų211146.6 Ų146.683%0.82776%0.76SS**  cis-144.3-171.815.1-66.1-87.3000111.8
31S33.8Very low32.8Very low91 Ų91150.1 Ų150.164%0.63676%0.76SS**  170.393-63.5172.40000112.1
32R37.6Very low32.4Very low211 Ų211147.3 Ų147.380%0.79675%0.752SS**  trans68.9163.4177.8-54.1-179.5168.6175.2-5.7114.5
33F31Very low31.7Very low176 Ų176149 Ų14977%0.77275%0.748SS**  cis-122.9176.16.5-86-92.2000109.8
34R28.2Very low31.6Very low231 Ų231148.9 Ų148.987%0.87275%0.747SS**  cis-153.5150.828.1-155.6-175.2-165.3171.52.9111.6
35N31.4Very low31.5Very low128 Ų128146 Ų14668%0.68474%0.743SS**  trans-87.5-177.2167.9-81.82000111.7
36E31.2Very low31.2Very low151 Ų151143 Ų14371%0.70674%0.737SS**  trans117.1135.3137.7-56.2-51.2139.200114.1
37S31Very low30.9Very low74 Ų74138.6 Ų138.652%0.51774%0.739SS.*  cis176.9167.1-22.8-108.50000109.3
38I31.6Very low30.7Very low150 Ų150132 Ų13277%0.76974%0.739SS**  trans46.7158.614672.4-166.8000120.6
39T29.5Very low30.5Very low121 Ų121133.3 Ų133.374%0.74274%0.743SS**  cis-159.5174.4-11.3170000105.6
40S28.8Very low30.3Very low101 Ų101133.4 Ų133.471%0.70676%0.755SS**  -178.6147.459.847.10000108.9
41L34.4Very low30Very low150 Ų150126.7 Ų126.779%0.78575%0.75SS**  64.3132.775.2-138.997.8000113
42D27.7Very low29.7Very low138 Ų138129.4 Ų129.474%0.73876%0.758SS**  cis-153-174.2-17-119.2156.1000107.3
43E29.1Very low29.3Very low166 Ų166128.8 Ų128.878%0.77676%0.761SS**  cis-136.8-146.67-146.2-143116.900107.7S45E43-S45 PolarHBondContact OE1-N 3.27Å
44G26Very low29Very low64 Ų64123.9 Ų123.966%0.6676%0.76SS**  cis-172.81760.900000114.7
45S29.7Very low29.5Very low102 Ų102118.8 Ų118.871%0.71376%0.759SS**  trans-131158.3-145-162.80000119.4E43E43-S45 PolarHBondContact OE1-N 3.27Å
46S30.6Very low30.3Very low111 Ų111117.5 Ų117.578%0.77676%0.758SS**  trans81.9141.2146.580.40000122.4
47G27.9Very low30.5Very low84 Ų84119.3 Ų119.387%0.86677%0.767SS**  trans80.6154.4134.100000119.6
48G26.2Very low31.3Very low80 Ų80120.7 Ų120.783%0.82577%0.774SS**  trans-178.9154.616800000113.8
49S28.6Very low32Very low116 Ų116118.6 Ų118.681%0.81177%0.77SS**  trans175.8162.9155.2-1670000111.4
50V29.6Very low31.8Very low146 Ų146121.2 Ų121.289%0.88577%0.773SS**  trans70.3131.5166.9-166.60000117.9
51G26.6Very low32.7Very low70 Ų70122.1 Ų122.172%0.72278%0.777SS**  trans152.938.8155.600000124.5
52N28Very low32.3Very low147 Ų147118.9 Ų118.979%0.78677%0.772SS**  trans40.7125.8151.6-107.7-17000123.7
53K27.9Very low32.3Very low199 Ų199120.6 Ų120.687%0.86578%0.78SS**  trans54.8132.7146.3-61.5-179.3178.6-1770120.9
54G26Very low32.2Very low73 Ų73116.9 Ų116.975%0.75378%0.778SS**  cis153174.6-8.800000114.9
55S37.7Very low33.1Very low123 Ų123118.4 Ų118.486%0.8678%0.776SS**  trans79.7153.3167.8-1240000118.5
56P48.6Very low33Very low101 Ų101121.9 Ų121.966%0.65678%0.781SS**  -143.1165.2-53.939.9-23.9000117.8
57Q35.7Very low33Very low190 Ų190124.6 Ų124.689%0.88879%0.786SS**  trans80.4160.8145-81.8-161.5-80.800123.5
58P46.7Very low33.7Very low103 Ų103126.4 Ų126.467%0.66978%0.782SS**  trans-122.7-149.5-159.346.6-29000111.7
59P46.4Very low33.9Very low106 Ų106126.3 Ų126.369%0.68877%0.773SS**  cis-139.9-177.4-2.638.7-16000118.9
60H25.5Very low34.1Very low175 Ų175129.8 Ų129.881%0.8178%0.777SS**  trans-9.4168.7145-55.9-62.5000121.1
61P48Very low34Very low120 Ų120130.6 Ų130.678%0.77978%0.776SS**  cis-141.3-171.3-2531.2-8.5000115
62A25.9Very low34.2Very low82 Ų82131.5 Ų131.568%0.67878%0.777SS**  116.9143.6125.600000121.3
63L27Very low34.1Very low174 Ų174129.1 Ų129.191%0.91178%0.778SS**  trans71.8135152.2-71.1159.4000121.4
64A27.8Very low34.2Very low88 Ų88127.8 Ų127.873%0.72778%0.779SS**  trans-92.7-155.2159.500000108.2
65P44.9Very low34.7Very low97 Ų97129.8 Ų129.863%0.6378%0.779SS**  cis-145.4-167.120.824.45.8000116.7
66H27.4Very low34.2Very low175 Ų175129.6 Ų129.681%0.8178%0.777SS**  trans109.2145153.3-57.5-60.8000120.6
67L31.3Very low33.2Very low168 Ų168133.6 Ų133.688%0.8879%0.787SS**  trans-115.9176.1175.7-53.3166.4000108
68P43Very low32.8Very low122 Ų122133.9 Ų133.979%0.79279%0.789SS**  -159.1-173.376.942.7-21.4000117.6
69A29.6Very low31.9Very low77 Ų77134.1 Ų134.164%0.63679%0.793SS**  trans65.2121.2157.400000118.8
70E32.8Very low31.9Very low189 Ų189134.4 Ų134.488%0.88379%0.794SS**  73.9136.568.3-67.5175.2116.800112.5
71D26.5Very low32.5Very low163 Ų163132 Ų13287%0.87279%0.792SS**  cis-147.7-166.941.1-161.2-7.9000113.1
72A30.9Very low32.7Very low89 Ų89131.5 Ų131.574%0.73679%0.789SS**  trans-106.8161.6-159.900000117.8
73A27.5Very low32.9Very low98 Ų98135.3 Ų135.381%0.8180%0.797SS**  trans-172.7144.4139.300000114
74L28.9Very low33Very low171 Ų171132 Ų13290%0.89579%0.787SS**  trans-110.8173.4158.8-73.8172.5000107.2
75P37Very low33.1Very low114 Ų114134.4 Ų134.474%0.7479%0.793SS**  cis-149-154.221.845.5-23.8000116.1
76S27.2Very low32.5Very low119 Ų119137.5 Ų137.583%0.83280%0.804SS**  trans102159.3155.376.60000118.9
77Q28.3Very low33Very low185 Ų185136.2 Ų136.286%0.86480%0.801SS**  trans-115.5160-159.8-59.1177.5-31.600112.2
78E26.3Very low33.7Very low197 Ų197133.4 Ų133.492%0.92179%0.793SS**  -175.7171.3117.9-103.1-178.4159.500113.5
79S28.9Very low33Very low107 Ų107139.7 Ų139.775%0.74880%0.801SS**  trans-160.8169.2176.871.30000108.6
80P45.8Very low33Very low112 Ų112145 Ų14573%0.72782%0.815SS**  cis-144.1-158.717.343.1-20.9000116.5
81T38.7Very low32.9Very low124 Ų124141 Ų14176%0.76181%0.813SS**  trans-32.5159.8167.441.60000119.2
82P50.6Low33.1Very low110 Ų110137.9 Ų137.971%0.71481%0.805SS**  -159.5171.453.844.6-22.6000122.9
83L31.8Very low33Very low162 Ų162141.5 Ų141.585%0.84881%0.808SS**  trans44.8134.1143.2-73.3164.8000123.8
84C28Very low33.1Very low104 Ų104144.7 Ų144.770%0.70380%0.804SS**  158.4145.296.7-117.70000118.6
85T30.9Very low33.2Very low139 Ų139144.2 Ų144.285%0.85380%0.802SS**  trans71166.8149.243.10000124.3
86L30.9Very low32.6Very low162 Ų162143.4 Ų143.485%0.84880%0.804SS**  trans-152.7-159.7-162.3-161.6118.8000111.5
87I37.8Very low32.6Very low149 Ų149145.1 Ų145.176%0.76480%0.804SS**  trans78.3163.2168.15.6-177000117.7
88P46.6Very low34.2Very low108 Ų108141.3 Ų141.370%0.70180%0.796SS**  -134.7-172.1-105.146.9-30.5000116.5
89R28.7Very low34.3Very low254 Ų254135.9 Ų135.996%0.95879%0.785SS**  trans-141161.4153.7-80.3-158168.9178.3-1.7113.7
90M29.3Very low34.3Very low190 Ų190137.1 Ų137.194%0.93679%0.788SS**  trans-110.3154.1-170.5-65-175.4-76.800114.1
91A31.4Very low33.8Very low103 Ų103138.6 Ų138.685%0.85179%0.789SS**  trans-130.5169159.600000109.2
92S30.8Very low33.7Very low99 Ų99140.1 Ų140.169%0.69279%0.791SS**  trans-163.2-171.1-172.666.60000114.3
93M27.9Very low32.7Very low164 Ų164139.1 Ų139.181%0.80879%0.787SS**  trans92.7154.1171.3-50.5-63.2176.700117.9
94K28.4Very low32.9Very low166 Ų166138.2 Ų138.272%0.72278%0.782SS**  cis-174.4124.2-40.3-172168.3-177.2-1800111.1
95L31.2Very low33.3Very low161 Ų161141.4 Ų141.484%0.84378%0.784SS**  trans56.9161.8167.5-90.769.1000116.1
96A26.1Very low33.2Very low96 Ų96141 Ų14179%0.79378%0.777SS**  cis-143.9-166.518.500000112.6
97N27.3Very low33Very low155 Ų155142 Ų14283%0.82978%0.775SS**  trans-124.2-166.9-174.2-149.814.5000111.2
98P60.7Low32.6Very low106 Ų106139.6 Ų139.669%0.68877%0.77SS**  -126.3-176.7-117.242.8-24.8000114.9
99A28.4Very low31.8Very low83 Ų83142.7 Ų142.769%0.68678%0.78SS**  trans-178.5173.4143.300000113.1
100T29.9Very low31.7Very low133 Ų133134 Ų13482%0.81677%0.769SS**  trans71.7155.1162.1690000120.3
101L35.3Very low31.6Very low143 Ų143132 Ų13275%0.74977%0.767SS**  -172.3156.3-52.6-115.6175.7000110.9
102L35.3Very low31.8Very low156 Ų156137.5 Ų137.582%0.81777%0.772SS**  trans67.3160.2161.5-62.2171.3000118
103S29.9Very low31.7Very low89 Ų89141.2 Ų141.262%0.62278%0.779SS**  cis-171.2165.7-26.1-174.50000113
104L36.6Very low31.8Very low143 Ų143139 Ų13975%0.74977%0.774SS**  trans100.4115.3157.7-56.7178.7000117
105K36.3Very low32.5Very low170 Ų170136.2 Ų136.274%0.73977%0.773SS**  cis99.3108.649.5-91.8-161.2-174.2178.30113.8
106N28.8Very low32.3Very low130 Ų130138.8 Ų138.870%0.69577%0.771SS**  171.1130.7109.5-87.1-19.1000115.6
107F26.6Very low32.4Very low184 Ų184140.2 Ų140.281%0.80777%0.765SS**  trans32.5142.8138.8-68.3-93.3000123.1
108C29.9Very low32.2Very low99 Ų99141.5 Ų141.567%0.66976%0.763SS**  cis-174.2176.7-15.4-146.80000112.9
109L29.7Very low30.6Very low173 Ų173143.6 Ų143.691%0.90677%0.768SS**  trans69.2137.2164.5-61.1165.9000117.8
110G26.6Very low30.4Very low70 Ų70147 Ų14772%0.72277%0.769SS**  cis173116.6-10.400000114.9
111T26.8Very low30.2Very low149 Ų149148.4 Ų148.491%0.91477%0.767SS**  trans-126.9146.4162.751.30000108.6
112K34.8Very low29.7Very low219 Ų219147.3 Ų147.395%0.95277%0.771SS**  trans-132.5156-177.8-129.8-175.6-177.9-173.70112.4
113E29Very low29.3Very low177 Ų177151.2 Ų151.283%0.82778%0.775SS**  trans-141.4132.4-148-124.1-148.5136.400113.1
114V29.7Very low29.1Very low116 Ų116154.1 Ų154.170%0.70378%0.783SS**  trans60.2-174.6148.7-118.50000120
115P43.6Very low29.3Very low109 Ų109153.2 Ų153.271%0.70879%0.786SS**  -137.6-145-128.949.3-27.3000115.4
116R26.2Very low28.7Very low214 Ų214148.4 Ų148.481%0.80879%0.785SS**  trans122.3150.4163.5-68.9172.582.3103.2-0.9111.8
117L29.2Very low28.5Very low126 Ų126148.1 Ų148.166%0.6679%0.793SS**  cis-162.8173.1-16.1-109177.6000110.3
118K23.8Very low28.5Very low183 Ų183144.6 Ų144.680%0.79679%0.791SS**  trans-6.6148.1162.5-71-174.1172.3-166.60118.8
119L25.5Very low28.5Very low150 Ų150145.4 Ų145.479%0.78580%0.798SS**  -175.1148.364.9-175.161.7000114.4
120Q25.3Very low29Very low153 Ų153142.9 Ų142.972%0.71579%0.792SS**  trans24.7132.6151.1-151.887.5-2.100123.8
121E24.6Very low29Very low163 Ų163144.7 Ų144.776%0.76279%0.794SS**  128.1150.8121.2-149.8140.4149.600120
122S25.7Very low29.2Very low120 Ų120142.9 Ų142.984%0.83979%0.787SS**  trans88.8169.5163.378.50000119.2
123R26.2Very low29.7Very low239 Ų239138.6 Ų138.690%0.90278%0.781SS**  trans-110.8165.7-156.2-85.2173.6159.6151.7-9.1113.8
124D26.6Very low29.7Very low149 Ų149138.8 Ų138.880%0.79778%0.783SS**  trans-33.5159.5157.3-64.8-78.5000116.3
125P41Very low29.5Very low125 Ų125140 Ų14081%0.81279%0.791SS**  cis-147.2160.529.740.9-21.2000120.4
126G22.8Very low28.7Very low68 Ų68139.6 Ų139.670%0.70179%0.79SS**  102.4146.7119.900000121.4
127S24.2Very low28.9Very low125 Ų125137.4 Ų137.487%0.87479%0.794SS**  trans66.8134158.8-1390000117.7
128S26.6Very low28.9Very low110 Ų110137.2 Ų137.277%0.76980%0.803SS**  cis-162.8164.330.146.20000112.6
129S30.6Very low29.1Very low116 Ų116140.1 Ų140.181%0.81181%0.809SS**  trans-136.9148165.6590000110.7
130P40.3Very low29.1Very low119 Ų119139.2 Ų139.277%0.77382%0.815SS**  trans-146.6172.214137.3-22000112.3
131S26.2Very low29.1Very low109 Ų109135 Ų13576%0.76281%0.813SS**  cis-170.5154.2-28.455.10000108.5
132S31Very low29.2Very low111 Ų111134.1 Ų134.178%0.77682%0.819SS**  trans-78.3173.1172.2-47.50000113.2
133P45.6Very low29.2Very low128 Ų128132.8 Ų132.883%0.83182%0.815SS**  trans-127.8163.2140.437.4-28.7000113.7
134E28.5Very low30.2Very low182 Ų182127 Ų12785%0.8581%0.808SS**  trans-119.6166.4-179.7-63-177.185.100112.8
135T25.9Very low31.4Very low142 Ų142125.4 Ų125.487%0.87181%0.806SS**  trans172.3151144.325.10000109.6
136S27.2Very low31.4Very low100 Ų100125.2 Ų125.270%0.69981%0.805SS**  cis-163.4127.5-12.751.50000113.7
137L31Very low31.9Very low168 Ų168129.9 Ų129.988%0.8881%0.808SS**  trans22128145.7-63.8167.7000123.2
138S28.1Very low32.8Very low122 Ų122128.7 Ų128.785%0.85380%0.797SS**  166.7166.9117.250.70000112.9
139R27.7Very low32.8Very low243 Ų243129.3 Ų129.392%0.91779%0.792SS**  cis-177.6105.7-43.2178.8-162.9-170.5-147.74.7110
140S25.3Very low32.9Very low132 Ų132130 Ų13092%0.92379%0.786SS**  trans-177.8166.3158.750.90000113.8
141G26.1Very low32.5Very low65 Ų65131 Ų13167%0.6779%0.789SS**  trans177.6-174168.300000112.1
142T26.4Very low32.5Very low144 Ų144128.3 Ų128.388%0.88378%0.779SS**  trans114.7111.4164.2-46.20000118.1
143A26.2Very low32.5Very low91 Ų91132.4 Ų132.475%0.75279%0.786SS**  trans82.5138.9144.600000124.5
144P46.6Very low31.6Very low119 Ų119137 Ų13777%0.77379%0.787SS**  trans-97.8-162.4166.246.5-39.1000110.3
145P51.8Low31.6Very low115 Ų115132.3 Ų132.375%0.74778%0.778SS**  cis-119.7-127.47.334.1-8.4000112.6
146P41.3Very low31.7Very low120 Ų120131.8 Ų131.878%0.77978%0.776SS**  cis-106-160.420.843.9-38000115.3
147Q32.8Very low31.7Very low166 Ų166131.1 Ų131.178%0.77678%0.776SS**  trans-144.6176.2170.7-143.5-156.14.400109.3
148P44.3Very low31.7Very low100 Ų100131.1 Ų131.165%0.64978%0.776SS**  -141.3-156.970.842.3-22.2000111.1
149D25.3Very low31.7Very low123 Ų123131.2 Ų131.266%0.65877%0.772SS**  cis-163.2-178.5-1.6-134.1-2.1000107.6
150L33.4Very low32.3Very low131 Ų131125 Ų12569%0.68676%0.762SS**  cis-156.7154.3-12-170.766.7000107.3
151V31.4Very low32.3Very low139 Ų139125.7 Ų125.784%0.84276%0.756SS**  trans62.9131.1171.8-156.50000117
152G27.4Very low32.3Very low53 Ų53127.6 Ų127.655%0.54676%0.759SS.*  cis167.8142.9-9.900000113.6
153H30.5Very low32.7Very low197 Ų197127.2 Ų127.291%0.91276%0.76SS**  trans38.4137.9144-59.7-49.3000121.9
154R27.1Very low33.1Very low226 Ų226128.3 Ų128.385%0.85376%0.76SS**  cis-168.3149.96.9159.4179.1-176.3169.61112.5
155A28.3Very low32.4Very low82 Ų82130.5 Ų130.568%0.67877%0.765SS**  trans-4.1153.4156.100000119.6
156T28.1Very low31.6Very low132 Ų132131.2 Ų131.281%0.8177%0.769SS**  -163.5152.266.4-53.80000112.8
157A27.3Very low31.2Very low86 Ų86128.8 Ų128.871%0.71177%0.766SS**  trans-100.6161.5177.400000112.5
158L29.5Very low31.6Very low168 Ų168127.4 Ų127.488%0.8877%0.772SS**  trans-167.1157.8153-106.2166.9000110.9
159T29.1Very low31.1Very low124 Ų124126.3 Ų126.376%0.76178%0.778SS**  trans-121.6177172.358.10000108.2
160P40.4Very low31.5Very low111 Ų111129.7 Ų129.772%0.72179%0.79SS**  cis-135.5-157.53.441-20.5000114.2
161D25.1Very low31.6Very low148 Ų148128.9 Ų128.979%0.79179%0.793SS**  trans98.6156.7143.3-117-37.1000122.4
162S26.3Very low31.8Very low105 Ų105127.8 Ų127.873%0.73479%0.789SS**  trans71.3101.4169.3-60.10000120.3
163C34.6Very low32.4Very low135 Ų135132.6 Ų132.691%0.91280%0.801SS**  trans-113.6133.4155.9-71.30000110.9
164P34.9Very low32.5Very low115 Ų115133.9 Ų133.975%0.74780%0.798SS**  trans-130.6116.3156.427.7-9.6000114.2
165L31.7Very low33.2Very low165 Ų165127.4 Ų127.486%0.86479%0.787SS**  trans35.8117141-61.9169000120.6
166P35.9Very low33.7Very low129 Ų129133 Ų13384%0.83879%0.791SS**PPolyproline II helixtrans-67.2143.3155.8-14.730.1000112.1
167G31.3Very low34.4Very low70 Ų70134.7 Ų134.772%0.72279%0.79SS**PPolyproline II helixtrans-76.4159.6172.900000113.6
168P42.7Very low35.5Very low137 Ų137134.5 Ų134.589%0.8978%0.777SS**PPolyproline II helixtrans-92142.4-174.434.7-33.4000113.5
169G32.2Very low36.7Very low77 Ų77136 Ų13679%0.79477%0.77SS**  trans136.114.7146.700000121.8
170E33.9Very low38Very low194 Ų194135.9 Ų135.991%0.90776%0.761SS**PPolyproline II helixtrans-95.9141.4167.1-79.8-154.4114.800113.2
171P34.9Very low39Very low113 Ų113132.9 Ų132.973%0.73474%0.737SS**PPolyproline II helixtrans-78.8153.1179.432.7-35.3000112.9
172P37.7Very low40.7Very low117 Ų117128.2 Ų128.276%0.7671%0.712SS**PPolyproline II helixtrans-78.4128.1-166.129.5-35.8000115.3R174P172-R174 PolarHBondContact O-N 2.97Å
173L39.4Very low42.3Very low154 Ų154129.8 Ų129.881%0.80671%0.707SS**  trans40.368.5132.5-162.173.3000117.7
174R32.9Very low43.7Very low224 Ų224128.1 Ų128.185%0.84569%0.686SS**  trans-107.9-31.3159.1-78-170.7169.8-163-3.5114.6P172 R176 Q177P172-R174 PolarHBondContact O-N 2.97Å; R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.43Å; R174-R176 VanDerWaalsContact O-N 3.07Å; R174-Q177 PolarHBondContact O-N 3.12Å
175S40.6Very low45.4Very low90 Ų90122.7 Ų122.763%0.62965%0.65SS**Hα-helixtrans-56-29.1-171.6177.90000115.5D178 R179S175-D178 PolarHBondContact O-N 2.94Å; S175-R179 PolarHBondContact O-N 3.03Å
176R38.3Very low47Very low199 Ų199119.2 Ų119.275%0.75163%0.632SS**Hα-helixtrans-76.3-30.6-171.4-148.4179.2-168.2-158.83.2114.5R174 H180R174-R176 VanDerWaalsContact C-N 3.26Å; R174-R176 PolarHBondContact O-N 3.43Å; R174-R176 VanDerWaalsContact O-N 3.07Å; R176-H180 PolarHBondContact O-CD2 2.99Å
177Q43.2Very low48.6Very low168 Ų168115.1 Ų115.179%0.78561%0.614SS**Hα-helixtrans-73.7-39.5172.5-88.2178-42.700111.4R174 R179 H180 F181R174-Q177 PolarHBondContact O-N 3.12Å; Q177-R179 PolarHBondContact O-N 2.89Å; Q177-H180 PolarHBondContact O-N 3.09Å; Q177-H180 VanDerWaalsContact O-N 3.08Å; Q177-F181 PolarHBondContact O-N 2.95Å
178D51.6Low50.6Low82 Ų82119.7 Ų119.744%0.43962%0.618SS.*Hα-helixtrans-57.5-44.4-174.3-15626000112.1S175 H180 F181 L182S175-D178 PolarHBondContact O-N 2.94Å; D178-H180 PolarHBondContact O-N 2.8Å; D178-F181 WeakPolarHBondContact O-CB 3.49Å; D178-F181 PolarHBondContact O-N 3.05Å; D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 VanDerWaalsContact O-CG 3.24Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 2.83Å
179R53.9Low52.6Low199 Ų199113.3 Ų113.375%0.75158%0.577SS**Hα-helixtrans-59.8-40175.1-86.9-172.3163.2-170.5-5.6114.1S175 Q177 Q183S175-R179 PolarHBondContact O-N 3.03Å; Q177-R179 PolarHBondContact O-N 2.89Å; R179-Q183 WeakPolarHBondContact O-CB 3.49Å; R179-Q183 PolarHBondContact O-N 3.08Å; R179-Q183 VanDerWaalsContact O-N 3.09Å
180H56.7Low55.3Low121 Ų121111.6 Ų111.656%0.5655%0.549SS*.Hα-helixtrans-73.5-39.6177.4-74.5-80000111.7R176 Q177 D178 L182 Q183 H184R176-H180 PolarHBondContact O-CD2 2.99Å; Q177-H180 PolarHBondContact O-N 3.09Å; Q177-H180 VanDerWaalsContact O-N 3.08Å; D178-H180 PolarHBondContact O-N 2.8Å; H180-L182 PolarHBondContact O-N 3.3Å; H180-Q183 PolarHBondContact O-N 3.42Å; H180-H184 PolarHBondContact O-CD2 2.94Å; H180-H184 PolarHBondContact O-N 3.26Å
181F60.9Low58.1Low48 Ų48106.2 Ų106.221%0.21153%0.526CS..Hα-helixtrans-56.5-49.5174.8-175.5-86.9000111.3Q177 D178 H184 L185 M190 T333 Q336Q177-F181 PolarHBondContact O-N 2.95Å; D178-F181 WeakPolarHBondContact O-CB 3.49Å; D178-F181 PolarHBondContact O-N 3.05Å; F181-H184 PolarHBondContact O-N 2.79Å; F181-L185 HydrophobicContact CD1-CD1 3.69Å; F181-L185 HydrophobicContact CE1-CD1 3.32Å; F181-L185 HydrophobicContact CZ-CD1 4.06Å; F181-L185 PolarHBondContact O-N 3.18Å; F181-L185 VanDerWaalsContact O-N 3.1Å; F181-M190 HydrophobicContact CD1-SD 4.4Å; F181-M190 HydrophobicContact CD2-CE 3.63Å; F181-M190 HydrophobicContact CD2-SD 3.5Å; F181-M190 WeakPolarHBondContact CD2-SD 3.36Å; F181-M190 HydrophobicContact CE1-SD 4.23Å; F181-M190 HydrophobicContact CE2-CE 3.51Å; F181-M190 HydrophobicContact CE2-SD 3.31Å; F181-M190 WeakPolarHBondContact CE2-SD 3.17Å; F181-M190 HydrophobicContact CG-SD 4.05Å; F181-M190 HydrophobicContact CZ-CE 4.42Å; F181-M190 HydrophobicContact CZ-SD 3.69Å; F181-T333 HydrophobicContact CZ-CG2 4Å; F181-Q336 VanDerWaalsContact CE1-OE1 3.28Å
182L61.3Low60.9Low51 Ų51102.2 Ų102.227%0.26750%0.497SS..Hα-helixtrans-62.3-41.7175.3-66.9175.8000112.9D178 H180 H184 L185 L186 L340D178-L182 WeakPolarHBondContact O-CB 3.46Å; D178-L182 VanDerWaalsContact O-CG 3.24Å; D178-L182 WeakPolarHBondContact O-CG 3.32Å; D178-L182 PolarHBondContact O-N 2.83Å; H180-L182 PolarHBondContact O-N 3.3Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.01Å; L182-L185 PolarHBondContact O-N 2.9Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.7Å; L182-L340 HydrophobicContact CD2-CD1 3.57Å; L182-L340 HydrophobicContact CD2-CD2 3.72Å; L182-L340 HydrophobicContact CD2-CG 4.2Å
183Q59.8Low63.6Low138 Ų138101.4 Ų101.465%0.64549%0.493SS*.Hα-helixtrans-62.6-38.1178-165.77152.900112.2R179 H180 G187R179-Q183 WeakPolarHBondContact O-CB 3.49Å; R179-Q183 PolarHBondContact O-N 3.08Å; R179-Q183 VanDerWaalsContact O-N 3.09Å; H180-Q183 PolarHBondContact O-N 3.42Å; Q183-G187 PolarHBondContact O-N 3.39Å
184H63.4Low66.2Low100 Ų10094.3 Ų94.346%0.46346%0.456SS..Hα-helixtrans-70.8-40.6175.9-76.8-66.3000112.5H180 F181 L182 L186 G187 G189 M190H180-H184 PolarHBondContact O-CD2 2.94Å; H180-H184 PolarHBondContact O-N 3.26Å; F181-H184 PolarHBondContact O-N 2.79Å; L182-H184 VanDerWaalsContact C-N 3.33Å; L182-H184 PolarHBondContact O-N 3.01Å; H184-L186 VanDerWaalsContact C-N 3.34Å; H184-L186 PolarHBondContact O-N 3.36Å; H184-G187 CarbonylContact O-C 3.56Å; H184-G187 PolarHBondContact O-N 2.87Å; H184-G189 VanDerWaalsContact O-CA 3.3Å; H184-G189 WeakPolarHBondContact O-CA 3.09Å; H184-G189 PolarHBondContact O-N 3.06Å; H184-M190 HydrophobicContact CB-CG 4.25Å
185L71.3Confident69Low0 Ų086.5 Ų86.50%043%0.426CS..Hα-helixtrans-62.2-36.8176.2-95158.7000113.7F181 L182 G187 M190 I266 T268 T333 A337 L340F181-L185 HydrophobicContact CD1-CD1 3.69Å; F181-L185 HydrophobicContact CE1-CD1 3.32Å; F181-L185 HydrophobicContact CZ-CD1 4.06Å; F181-L185 PolarHBondContact O-N 3.18Å; F181-L185 VanDerWaalsContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 2.9Å; L185-G187 VanDerWaalsContact C-N 3.33Å; L185-M190 HydrophobicContact CD1-SD 4.27Å; L185-M190 HydrophobicContact CG-CG 4.21Å; L185-M190 HydrophobicContact CG-SD 4.22Å; L185-I266 HydrophobicContact CD2-CG2 4.2Å; L185-T268 PolarHBondContact O-N 3.34Å; L185-T268 VanDerWaalsContact O-N 3.1Å; L185-T333 HydrophobicContact CD1-CG2 4.27Å; L185-T333 HydrophobicContact CD2-CG2 4.17Å; L185-T333 HydrophobicContact CG-CG2 4.47Å; L185-A337 HydrophobicContact CD2-CB 3.81Å; L185-L340 HydrophobicContact CB-CD1 4.23Å; L185-L340 HydrophobicContact CD1-CD1 4.05Å
186L65Low71.6Confident93 Ų9382.6 Ų82.649%0.48740%0.398SS..THydrogen-bonded Turntrans-79.5-11.7178.2-71.8166000114L182 H184 T268L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 2.7Å; H184-L186 VanDerWaalsContact C-N 3.34Å; H184-L186 PolarHBondContact O-N 3.36Å; L186-T268 HydrophobicContact CD2-CG2 4.02Å
187G69.9Low74.1Confident43 Ų4373.1 Ų73.144%0.44336%0.362SS..THydrogen-bonded Turntrans-118.7-117.9178.900000112Q183 H184 L185 G189Q183-G187 PolarHBondContact O-N 3.39Å; H184-G187 CarbonylContact O-C 3.56Å; H184-G187 PolarHBondContact O-N 2.87Å; L185-G187 VanDerWaalsContact C-N 3.33Å; G187-G189 PolarHBondContact O-N 3.01Å
188M72.6Confident76.5Confident166 Ų16665.1 Ų65.182%0.81833%0.325SS*.THydrogen-bonded Turntrans-61.5-8.2-173.5-57.4177.477.500115.6T265M188-T265 WeakPolarHBondContact O-CG2 3.34Å
189G84.4Confident78.4Confident3 Ų361.3 Ų61.33%0.03131%0.305CS..  trans77.1159.6-174.800000113.8H184 G187 N191 I266H184-G189 VanDerWaalsContact O-CA 3.3Å; H184-G189 WeakPolarHBondContact O-CA 3.09Å; H184-G189 PolarHBondContact O-N 3.06Å; G187-G189 PolarHBondContact O-N 3.01Å; G189-N191 PolarHBondContact O-ND2 3.12Å; G189-N191 VanDerWaalsContact O-ND2 3.07Å; G189-I266 CarbonylContact C-O 3.55Å; G189-I266 WeakPolarHBondContact CA-O 3.08Å
190M90.2Very high80.3Confident40 Ų4052 Ų5220%0.19727%0.27CS..EExtended strand (participates in β ladder)trans-87.6140.4173.2-68.1-168.169.900110.9F181 H184 L185 Y192 T265 I266 T333F181-M190 HydrophobicContact CD1-SD 4.4Å; F181-M190 HydrophobicContact CD2-CE 3.63Å; F181-M190 HydrophobicContact CD2-SD 3.5Å; F181-M190 WeakPolarHBondContact CD2-SD 3.36Å; F181-M190 HydrophobicContact CE1-SD 4.23Å; F181-M190 HydrophobicContact CE2-CE 3.51Å; F181-M190 HydrophobicContact CE2-SD 3.31Å; F181-M190 WeakPolarHBondContact CE2-SD 3.17Å; F181-M190 HydrophobicContact CG-SD 4.05Å; F181-M190 HydrophobicContact CZ-CE 4.42Å; F181-M190 HydrophobicContact CZ-SD 3.69Å; H184-M190 HydrophobicContact CB-CG 4.25Å; L185-M190 HydrophobicContact CD1-SD 4.27Å; L185-M190 HydrophobicContact CG-CG 4.21Å; L185-M190 HydrophobicContact CG-SD 4.22Å; M190-Y192 HydrophobicContact CB-CE2 3.73Å; M190-Y192 WeakPolarHBondContact CE-OH 3.36Å; M190-T265 CarbonylContact O-C 3.52Å; M190-T265 WeakPolarHBondContact O-CA 3.49Å; M190-I266 PolarHBondContact N-O 2.71Å; M190-I266 PolarHBondContact O-N 2.86Å; M190-T333 HydrophobicContact CB-CG2 4.27Å; M190-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact SD-CG2 3.78Å
191N93Very high82Confident81 Ų8149.7 Ų49.743%0.43326%0.259SS..EExtended strand (participates in β ladder)trans-118.2125.8-167.9-68-84.9000111.3G189 K263 L264 T265G189-N191 PolarHBondContact O-ND2 3.12Å; G189-N191 VanDerWaalsContact O-ND2 3.07Å; N191-K263 HydrophobicContact CB-CG 4.5Å; N191-K263 WeakPolarHBondContact OD1-CE 3.36Å; N191-L264 CarbonylContact C-O 3.52Å; N191-L264 WeakPolarHBondContact CA-O 3.44Å; N191-T265 PolarHBondContact OD1-OG1 2.94Å
192Y93.3Very high83.6Confident30 Ų3047.6 Ų47.612%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-126.5130.9-177.3-61.4-96.1000110.6M190 K263 L264 I266 V330 T333M190-Y192 HydrophobicContact CB-CE2 3.73Å; M190-Y192 WeakPolarHBondContact CE-OH 3.36Å; Y192-K263 WeakPolarHBondContact O-CA 3.35Å; Y192-L264 PolarHBondContact N-O 2.87Å; Y192-L264 PolarHBondContact O-N 3.08Å; Y192-I266 HydrophobicContact CD2-CD1 3.7Å; Y192-I266 HydrophobicContact CD2-CG1 4.07Å; Y192-I266 HydrophobicContact CE2-CD1 3.53Å; Y192-I266 HydrophobicContact CE2-CG1 4.11Å; Y192-V330 HydrophobicContact CD1-CG2 3.52Å; Y192-V330 HydrophobicContact CD2-CG2 4.3Å; Y192-V330 HydrophobicContact CE1-CG2 3.97Å; Y192-V330 HydrophobicContact CG-CG2 3.72Å; Y192-T333 HydrophobicContact CE2-CG2 4.26Å; Y192-T333 PolarHBondContact OH-OG1 3.21Å
193C93.1Very high85Confident100 Ų10050 Ų5068%0.67626%0.263SS*.EExtended strand (participates in β ladder)trans-86.3110.6171.1-62.20000109.1I262 L276C193-I262 WeakPolarHBondContact CA-O 3.45Å; C193-L276 HydrophobicContact CB-CD1 4.31Å
194V93.9Very high86.4Confident5 Ų547.3 Ų47.33%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-136.9156.5-175.1-58.10000109.5I262 L264 L320 C322V194-I262 HydrophobicContact CG2-CD1 4.09Å; V194-I262 HydrophobicContact CG2-CG1 3.68Å; V194-I262 PolarHBondContact N-O 3.07Å; V194-I262 VanDerWaalsContact O-CG1 3.29Å; V194-I262 WeakPolarHBondContact O-CG1 3.17Å; V194-I262 PolarHBondContact O-N 2.82Å; V194-L264 HydrophobicContact CG2-CB 3.97Å; V194-L320 HydrophobicContact CG2-CB 4.41Å; V194-L320 HydrophobicContact CG2-CD1 4.34Å; V194-L320 HydrophobicContact CG2-CD2 4.12Å; V194-C322 HydrophobicContact CG1-CB 4.22Å; V194-C322 VanDerWaalsContact CG1-SG 3.51Å
195R93Very high87.7Confident59 Ų5944.8 Ų44.822%0.22324%0.244CC..EExtended strand (participates in β ladder)trans-94.7125.5176.3-168.2-177.4-66.2139.9-5.9110.5M197 G259 M260 N261 L320 E321 H323R195-M197 HydrophobicContact CB-CE 4.12Å; R195-M197 VanDerWaalsContact CD-CE 3.47Å; R195-M197 HydrophobicContact CG-CE 3.63Å; R195-M197 PolarHBondContact O-N 3.2Å; R195-G259 VanDerWaalsContact CD-O 3.27Å; R195-G259 WeakPolarHBondContact CD-O 3.24Å; R195-G259 VanDerWaalsContact CG-O 3.31Å; R195-G259 WeakPolarHBondContact CG-O 3.36Å; R195-M260 CarbonylContact C-O 3.46Å; R195-M260 WeakPolarHBondContact CA-O 3.24Å; R195-M260 WeakPolarHBondContact CG-O 3.47Å; R195-N261 PolarHBondContact NE-OD1 3.5Å; R195-N261 VanDerWaalsContact NE-OD1 3.14Å; R195-L320 WeakPolarHBondContact O-CA 3.36Å; R195-E321 HydrophobicContact CB-CB 4.25Å; R195-E321 WeakPolarHBondContact CD-OE2 3.38Å; R195-E321 IonicContact CZ-OE2 3.59Å; R195-E321 PolarHBondContact N-O 3.35Å; R195-E321 IonicContact NE-OE2 3.83Å; R195-E321 IonicContact NH1-OE1 3.73Å; R195-E321 IonicContact NH1-OE2 3.24Å; R195-E321 PolarHBondContact NH1-OE2 3.1Å; R195-E321 PolarHBondContact O-N 3.25Å; R195-H323 PolarHBondContact NH1-CE1 3.4Å; R195-H323 VanDerWaalsContact NH1-CE1 3.32Å; R195-H323 PolarHBondContact NH1-NE2 2.82Å
196Y93.8Very high88.6Confident9 Ų944.9 Ų44.94%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-76.7119.7176.1-171.9-111.6000109.5F257 G259 M260 I262 L273 H318 L320Y196-F257 HydrophobicContact CD1-CB 3.89Å; Y196-F257 WeakPolarHBondContact CD1-O 3.12Å; Y196-F257 HydrophobicContact CE1-CB 4.08Å; Y196-G259 PolarHBondContact O-N 2.82Å; Y196-M260 PolarHBondContact N-O 3.49Å; Y196-I262 HydrophobicContact CD2-CD1 4.26Å; Y196-L273 HydrophobicContact CD2-CD2 3.67Å; Y196-L273 HydrophobicContact CE2-CD2 3.58Å; Y196-H318 HydrophobicContact CE2-CB 4.22Å; Y196-H318 AromaticContact CZ-ND1 3.94Å; Y196-H318 PolarHBondContact OH-ND1 3.46Å; Y196-L320 HydrophobicContact CD2-CD2 3.75Å
197M92.6Very high89.7Confident0 Ų050.1 Ų50.10%026%0.258CS..EExtended strand (participates in β ladder)trans-83.9-20.1178.1-66.9-72.899.900112.3R195 L225 V229 A232 S258 Y303 I319 E321R195-M197 HydrophobicContact CB-CE 4.12Å; R195-M197 VanDerWaalsContact CD-CE 3.47Å; R195-M197 HydrophobicContact CG-CE 3.63Å; R195-M197 PolarHBondContact O-N 3.2Å; M197-L225 HydrophobicContact CB-CD2 3.6Å; M197-L225 HydrophobicContact CB-CG 4.29Å; M197-L225 WeakPolarHBondContact O-CD2 3.5Å; M197-V229 WeakPolarHBondContact O-CG2 3.4Å; M197-V229 HydrophobicContact SD-CG1 4.34Å; M197-A232 HydrophobicContact SD-CB 3.72Å; M197-S258 WeakPolarHBondContact O-CB 3.48Å; M197-Y303 HydrophobicContact CG-CD1 4.43Å; M197-Y303 HydrophobicContact CG-CE1 4.09Å; M197-Y303 HydrophobicContact SD-CE1 4.14Å; M197-I319 HydrophobicContact CB-CB 4.24Å; M197-I319 HydrophobicContact CB-CG2 3.93Å; M197-I319 HydrophobicContact CG-CG2 4.06Å; M197-I319 PolarHBondContact N-O 3.13Å; M197-E321 HydrophobicContact CE-CB 3.9Å; M197-E321 WeakPolarHBondContact CE-OE2 3.25Å; M197-E321 HydrophobicContact CG-CB 4.07Å; M197-E321 HydrophobicContact SD-CB 4.17Å
198G92.4Very high90.6Very high0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans119.8-164.4-169.500000111.6I319G198-I319 PolarHBondContact O-N 3.27Å; G198-I319 VanDerWaalsContact O-N 3.11Å
199C92.7Very high91.5Very high2 Ų244.3 Ų44.31%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-142.6163.1173.661.60000112.9S253 N254 A316 C317 H318C199-S253 WeakPolarHBondContact O-CA 3.27Å; C199-N254 PolarHBondContact N-O 3.39Å; C199-N254 VanDerWaalsContact N-O 3.09Å; C199-N254 PolarHBondContact O-N 2.99Å; C199-A316 HydrophobicContact CB-CB 4.14Å; C199-C317 CarbonylContact C-O 3.6Å; C199-C317 WeakPolarHBondContact CA-O 3.36Å; C199-C317 VanDerWaalsContact CB-O 3.27Å; C199-C317 WeakPolarHBondContact CB-O 3.5Å; C199-H318 HydrophobicContact CB-CB 4.33Å
200I93.1Very high91.7Very high4 Ų448.7 Ų48.72%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-127.5128.4175.7-54.9-172.5000109.1A221 R224 L225 L250 K252 A316 C317I200-A221 HydrophobicContact CD1-CB 4.14Å; I200-A221 WeakPolarHBondContact CD1-O 3.49Å; I200-R224 HydrophobicContact CD1-CB 3.92Å; I200-L225 HydrophobicContact CD1-CB 4.38Å; I200-L225 HydrophobicContact CD1-CD1 4.1Å; I200-L225 HydrophobicContact CG1-CD1 3.89Å; I200-L250 HydrophobicContact CG2-CB 4.22Å; I200-L250 HydrophobicContact CG2-CD2 4.09Å; I200-K252 WeakPolarHBondContact CA-O 3.42Å; I200-A316 CarbonylContact O-C 3.54Å; I200-A316 WeakPolarHBondContact O-CA 3.11Å; I200-C317 PolarHBondContact N-O 2.81Å; I200-C317 PolarHBondContact O-N 2.86Å
201E92.7Very high91.7Very high71 Ų7153.7 Ų53.733%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-54.9136.2174.6179.7-177.7-147.400111.3L203 G251 K252E201-L203 HydrophobicContact CG-CD2 3.89Å; E201-G251 PolarHBondContact O-N 2.82Å; E201-K252 WeakPolarHBondContact CB-O 3.29Å; E201-K252 PolarHBondContact N-O 2.91Å; E201-K252 PolarHBondContact OE2-N 3.02Å
202V93.8Very high91.6Very high5 Ų552.2 Ų52.23%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-120.6110.1178-161.10000109.9M206 V217 V249 L250 V307 R315 C317V202-M206 HydrophobicContact CG1-SD 4.47Å; V202-V217 HydrophobicContact CG1-CG1 4.4Å; V202-V249 CarbonylContact C-O 3.57Å; V202-V249 WeakPolarHBondContact CA-O 3.43Å; V202-V249 HydrophobicContact CG1-CG1 3.93Å; V202-V249 WeakPolarHBondContact CG1-O 3.29Å; V202-L250 HydrophobicContact CG2-CD2 4.22Å; V202-V307 HydrophobicContact CG2-CG1 4.11Å; V202-R315 PolarHBondContact N-O 2.77Å; V202-R315 PolarHBondContact O-NH1 2.97Å; V202-C317 HydrophobicContact CG2-CB 3.76Å
203L91.6Very high91.5Very high101 Ų10152 Ų5253%0.52927%0.273SS..  trans-77.6-43.1-169-57.3174.5000112.4E201 V249E201-L203 HydrophobicContact CG-CD2 3.89Å; L203-V249 PolarHBondContact N-O 2.88Å
204Q89.6Confident91.4Very high82 Ų8250.4 Ų50.438%0.38325%0.253SS..SBendtrans-99.2136.6-179.7-169.7-179.510.700111.4L209 V249 R315Q204-L209 HydrophobicContact CG-CD2 4.39Å; Q204-V249 HydrophobicContact CB-CG1 4.32Å; Q204-V249 HydrophobicContact CB-CG2 4.43Å; Q204-R315 VanDerWaalsContact C-NH1 3.26Å; Q204-R315 PolarHBondContact O-NH1 3.11Å; Q204-R315 PolarHBondContact O-NH2 2.95Å
205S89.7Confident91.3Very high47 Ų4751.5 Ų51.533%0.32926%0.26SS..  trans-58.5137.6-173.6-178.70000114.3R207 S208S205-R207 PolarHBondContact O-N 2.83Å; S205-R207 PolarHBondContact OG-N 3.15Å; S205-S208 PolarHBondContact O-N 3.46Å; S205-S208 PolarHBondContact O-OG 2.95Å
206M90.4Very high91.2Very high1 Ų152.6 Ų52.61%0.00527%0.268CS..G310 helixtrans-61.2-29.9176-62.8-48.4-85.600111.7V202 S208 L209 R214 S291 F292 V307 R315V202-M206 HydrophobicContact CG1-SD 4.47Å; M206-S208 VanDerWaalsContact C-N 3.29Å; M206-S208 PolarHBondContact O-N 2.89Å; M206-L209 PolarHBondContact O-N 3.45Å; M206-L209 HydrophobicContact SD-CD1 4.45Å; M206-R214 HydrophobicContact CE-CB 3.65Å; M206-R214 HydrophobicContact CE-CG 3.75Å; M206-R214 VanDerWaalsContact O-CZ 3.28Å; M206-R214 PolarHBondContact O-NE 2.9Å; M206-R214 PolarHBondContact O-NH2 3.11Å; M206-S291 WeakPolarHBondContact CG-OG 3.38Å; M206-F292 HydrophobicContact CB-CB 4.35Å; M206-F292 HydrophobicContact CE-CB 3.66Å; M206-F292 HydrophobicContact CE-CD1 3.4Å; M206-F292 VanDerWaalsContact CE-CD1 3.4Å; M206-F292 HydrophobicContact CE-CE1 4.14Å; M206-F292 HydrophobicContact CE-CG 3.64Å; M206-F292 HydrophobicContact CG-CB 3.93Å; M206-V307 HydrophobicContact CE-CG2 3.95Å; M206-V307 HydrophobicContact CG-CB 4.09Å; M206-V307 HydrophobicContact CG-CG1 3.9Å; M206-V307 HydrophobicContact CG-CG2 4.34Å; M206-V307 HydrophobicContact SD-CB 4.41Å; M206-V307 HydrophobicContact SD-CG1 4.18Å; M206-V307 HydrophobicContact SD-CG2 4.06Å; M206-R315 PolarHBondContact SD-NH2 3.24Å
207R88.4Confident91.1Very high204 Ų20452.2 Ų52.277%0.7727%0.266SS*.G310 helixtrans-72.4-20.2-177.7-65.4-167.5-67.9-97.14.9113.6S205S205-R207 PolarHBondContact O-N 2.83Å; S205-R207 PolarHBondContact OG-N 3.15Å
208S89Confident91.1Very high73 Ų7352.2 Ų52.251%0.5127%0.266SS..G310 helixtrans-99.413.2176.3620000113.3S205 M206S205-S208 PolarHBondContact O-N 3.46Å; S205-S208 PolarHBondContact O-OG 2.95Å; M206-S208 VanDerWaalsContact C-N 3.29Å; M206-S208 PolarHBondContact O-N 2.89Å
209L89.9Confident91Very high14 Ų1457.4 Ų57.47%0.07329%0.286CS..SBendtrans-115.8144.1175.8-61.5175.4000109.2Q204 M206 M213 R214 V217 V249Q204-L209 HydrophobicContact CG-CD2 4.39Å; M206-L209 PolarHBondContact O-N 3.45Å; M206-L209 HydrophobicContact SD-CD1 4.45Å; L209-M213 HydrophobicContact CB-CB 4.36Å; L209-M213 HydrophobicContact CB-CG 4.1Å; L209-M213 HydrophobicContact CD1-CG 4.45Å; L209-M213 HydrophobicContact CD2-CE 4.28Å; L209-M213 HydrophobicContact CD2-CG 3.88Å; L209-M213 HydrophobicContact CG-CG 4.36Å; L209-R214 HydrophobicContact CB-CG 3.96Å; L209-R214 PolarHBondContact O-NE 3.14Å; L209-R214 PolarHBondContact O-NH2 3.08Å; L209-V217 HydrophobicContact CD1-CG2 4.36Å; L209-V249 HydrophobicContact CD1-CG1 3.99Å
210D90.7Very high90.9Very high94 Ų9458.3 Ų58.350%0.50329%0.29SS..  trans-65.1157.2171.7-70.4-46.4000112.4G212 M213 R214D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 PolarHBondContact O-N 3.38Å; D210-M213 HydrophobicContact CB-CB 4.33Å; D210-M213 CarbonylContact O-C 3.18Å; D210-M213 WeakPolarHBondContact O-CA 3.45Å; D210-M213 WeakPolarHBondContact O-CB 3.48Å; D210-M213 PolarHBondContact O-N 2.82Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 2.91Å
211F89.6Confident90.9Very high145 Ų14558.1 Ų58.164%0.63629%0.289SS*.Hα-helixtrans-55.3-45-179.8179.6-99.8000112.8M213 R214 T215 F292F211-M213 VanDerWaalsContact C-N 3.33Å; F211-M213 PolarHBondContact O-N 2.74Å; F211-R214 PolarHBondContact O-N 3.37Å; F211-T215 PolarHBondContact O-N 3.46Å; F211-T215 VanDerWaalsContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.91Å; F211-F292 HydrophobicContact CD2-CE2 4.22Å; F211-F292 HydrophobicContact CE2-CE2 4.08Å; F211-F292 HydrophobicContact CE2-CZ 4.38Å
212G90.7Very high90.8Very high50 Ų5054.8 Ų54.852%0.51527%0.274SS..Hα-helixtrans-61.4-40.6175.800000112.9D210 T215 Q216D210-G212 VanDerWaalsContact C-N 3.32Å; D210-G212 PolarHBondContact O-N 3.38Å; G212-T215 PolarHBondContact O-N 3.35Å; G212-Q216 WeakPolarHBondContact O-CB 3.46Å; G212-Q216 PolarHBondContact O-N 3.45Å
213M91.2Very high90.6Very high26 Ų2657.5 Ų57.513%0.12829%0.293CS..Hα-helixtrans-66.5-40.3176.6-178.562.3177.300111.8L209 D210 F211 T215 Q216 V217 F245 L246 V249L209-M213 HydrophobicContact CB-CB 4.36Å; L209-M213 HydrophobicContact CB-CG 4.1Å; L209-M213 HydrophobicContact CD1-CG 4.45Å; L209-M213 HydrophobicContact CD2-CE 4.28Å; L209-M213 HydrophobicContact CD2-CG 3.88Å; L209-M213 HydrophobicContact CG-CG 4.36Å; D210-M213 HydrophobicContact CB-CB 4.33Å; D210-M213 CarbonylContact O-C 3.18Å; D210-M213 WeakPolarHBondContact O-CA 3.45Å; D210-M213 WeakPolarHBondContact O-CB 3.48Å; D210-M213 PolarHBondContact O-N 2.82Å; F211-M213 VanDerWaalsContact C-N 3.33Å; F211-M213 PolarHBondContact O-N 2.74Å; M213-T215 PolarHBondContact O-N 2.79Å; M213-Q216 PolarHBondContact O-N 2.97Å; M213-V217 HydrophobicContact CE-CG2 4.14Å; M213-V217 WeakPolarHBondContact O-CB 3.34Å; M213-V217 VanDerWaalsContact O-CG2 3.24Å; M213-V217 WeakPolarHBondContact O-CG2 3.4Å; M213-V217 PolarHBondContact O-N 3.29Å; M213-V217 HydrophobicContact SD-CG2 4.45Å; M213-F245 HydrophobicContact CE-CD1 3.77Å; M213-F245 HydrophobicContact CE-CE1 3.38Å; M213-F245 HydrophobicContact CE-CZ 4.21Å; M213-F245 HydrophobicContact SD-CD1 4.27Å; M213-F245 HydrophobicContact SD-CE1 3.9Å; M213-L246 HydrophobicContact CE-CD2 3.65Å; M213-L246 HydrophobicContact SD-CD2 3.89Å; M213-V249 HydrophobicContact CE-CG2 3.87Å
214R91.7Very high90.5Very high66 Ų6655.5 Ų55.525%0.24928%0.278CS..Hα-helixtrans-58.5-47.2173.6-65.4172.5-152.9-177.63.2111.6M206 L209 D210 F211 Q216 V217 T218 F292M206-R214 HydrophobicContact CE-CB 3.65Å; M206-R214 HydrophobicContact CE-CG 3.75Å; M206-R214 VanDerWaalsContact O-CZ 3.28Å; M206-R214 PolarHBondContact O-NE 2.9Å; M206-R214 PolarHBondContact O-NH2 3.11Å; L209-R214 HydrophobicContact CB-CG 3.96Å; L209-R214 PolarHBondContact O-NE 3.14Å; L209-R214 PolarHBondContact O-NH2 3.08Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 2.91Å; F211-R214 PolarHBondContact O-N 3.37Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.27Å; R214-V217 PolarHBondContact O-N 2.7Å; R214-T218 PolarHBondContact O-N 3.35Å; R214-T218 PolarHBondContact O-OG1 3.29Å; R214-F292 HydrophobicContact CB-CD1 4.17Å; R214-F292 HydrophobicContact CB-CD2 4.26Å; R214-F292 HydrophobicContact CB-CE1 3.75Å; R214-F292 HydrophobicContact CB-CE2 3.86Å; R214-F292 HydrophobicContact CB-CG 4.4Å; R214-F292 HydrophobicContact CB-CZ 3.58Å; R214-F292 HydrophobicContact CG-CE2 4.49Å
215T91.6Very high90.4Very high29 Ų2951.6 Ų51.618%0.17826%0.26CS..Hα-helixtrans-66.9-33.2178-55.50000112.1F211 G212 M213 T218 R219F211-T215 PolarHBondContact O-N 3.46Å; F211-T215 VanDerWaalsContact O-N 3.1Å; F211-T215 PolarHBondContact O-OG1 2.91Å; G212-T215 PolarHBondContact O-N 3.35Å; M213-T215 PolarHBondContact O-N 2.79Å; T215-T218 WeakPolarHBondContact CA-OG1 3.31Å; T215-T218 PolarHBondContact O-OG1 3.32Å; T215-T218 VanDerWaalsContact O-OG1 3.09Å; T215-R219 WeakPolarHBondContact O-CB 3.49Å; T215-R219 PolarHBondContact O-N 2.93Å
216Q90.6Very high90.3Very high82 Ų8250.8 Ų50.838%0.38325%0.254SS..Hα-helixtrans-70.6-36.9173.4-162.1-177.6-0.300112.1G212 M213 R214 R219 E220 L246G212-Q216 WeakPolarHBondContact O-CB 3.46Å; G212-Q216 PolarHBondContact O-N 3.45Å; M213-Q216 PolarHBondContact O-N 2.97Å; R214-Q216 VanDerWaalsContact C-N 3.33Å; R214-Q216 PolarHBondContact O-N 3.27Å; Q216-R219 PolarHBondContact O-N 3.41Å; Q216-E220 WeakPolarHBondContact O-CB 3.45Å; Q216-E220 PolarHBondContact O-N 3.07Å; Q216-L246 HydrophobicContact CG-CD1 3.87Å
217V92.2Very high90Very high0 Ų056.8 Ų56.80%028%0.282CS..Hα-helixtrans-65.4-44174.8167.90000111.3V202 L209 M213 R214 A221 L246 V249 L250V202-V217 HydrophobicContact CG1-CG1 4.4Å; L209-V217 HydrophobicContact CD1-CG2 4.36Å; M213-V217 HydrophobicContact CE-CG2 4.14Å; M213-V217 WeakPolarHBondContact O-CB 3.34Å; M213-V217 VanDerWaalsContact O-CG2 3.24Å; M213-V217 WeakPolarHBondContact O-CG2 3.4Å; M213-V217 PolarHBondContact O-N 3.29Å; M213-V217 HydrophobicContact SD-CG2 4.45Å; R214-V217 PolarHBondContact O-N 2.7Å; V217-A221 VanDerWaalsContact O-CB 3.29Å; V217-A221 WeakPolarHBondContact O-CB 3.22Å; V217-A221 PolarHBondContact O-N 3.1Å; V217-L246 HydrophobicContact CG2-CD2 3.9Å; V217-V249 HydrophobicContact CG1-CG1 3.99Å; V217-V249 HydrophobicContact CG2-CB 4.28Å; V217-V249 HydrophobicContact CG2-CG1 3.76Å; V217-L250 HydrophobicContact CG1-CD2 3.77Å; V217-L250 HydrophobicContact CG1-CG 4.14Å
218T92.6Very high89.8Confident1 Ų149.1 Ų49.11%0.00626%0.262CS..Hα-helixtrans-67.2-38.7174.649.80000112.3R214 T215 A221 I222 F292 A305 V307R214-T218 PolarHBondContact O-N 3.35Å; R214-T218 PolarHBondContact O-OG1 3.29Å; T215-T218 WeakPolarHBondContact CA-OG1 3.31Å; T215-T218 PolarHBondContact O-OG1 3.32Å; T215-T218 VanDerWaalsContact O-OG1 3.09Å; T218-A221 PolarHBondContact O-N 2.88Å; T218-I222 VanDerWaalsContact O-CG1 3.32Å; T218-I222 WeakPolarHBondContact O-CG1 3.27Å; T218-I222 PolarHBondContact O-N 3Å; T218-F292 HydrophobicContact CG2-CD1 3.79Å; T218-F292 HydrophobicContact CG2-CE1 3.79Å; T218-A305 HydrophobicContact CG2-CB 4.17Å; T218-V307 HydrophobicContact CG2-CG2 4.4Å
219R89.9Confident89.5Confident108 Ų10846.2 Ų46.241%0.40824%0.241SC..Hα-helixtrans-60.6-50175.2178.4-175.5-56.1-124.3-4.1112.9T215 Q216 A221 I222 S223 D297T215-R219 WeakPolarHBondContact O-CB 3.49Å; T215-R219 PolarHBondContact O-N 2.93Å; Q216-R219 PolarHBondContact O-N 3.41Å; R219-A221 VanDerWaalsContact C-N 3.3Å; R219-A221 PolarHBondContact O-N 3.47Å; R219-I222 PolarHBondContact O-N 2.78Å; R219-S223 PolarHBondContact O-N 3.01Å; R219-D297 WeakPolarHBondContact CD-OD1 3.39Å; R219-D297 WeakPolarHBondContact CD-OD2 3.39Å; R219-D297 WeakPolarHBondContact CG-OD1 3.33Å; R219-D297 WeakPolarHBondContact CG-OD2 3.47Å; R219-D297 IonicContact CZ-OD1 2.7Å; R219-D297 IonicContact CZ-OD2 2.87Å; R219-D297 IonicContact NE-OD1 2.92Å; R219-D297 PolarHBondContact NE-OD1 3.42Å; R219-D297 IonicContact NE-OD2 2.66Å; R219-D297 PolarHBondContact NE-OD2 2.91Å; R219-D297 IonicContact NH1-OD1 2.84Å; R219-D297 PolarHBondContact NH1-OD1 3.01Å; R219-D297 IonicContact NH1-OD2 3.87Å; R219-D297 PolarHBondContact NH1-OD2 3.21Å; R219-D297 IonicContact NH2-OD1 3.93Å; R219-D297 PolarHBondContact NH2-OD1 3.3Å; R219-D297 VanDerWaalsContact NH2-OD1 3.08Å; R219-D297 IonicContact NH2-OD2 3.04Å
220E90.2Very high88.4Confident21 Ų2151.5 Ų51.510%0.09828%0.276CS..Hα-helixtrans-62.7-37.8175.1173.886.8-170.100110.9Q216 S223 R224 P242 V243 L246 L250Q216-E220 WeakPolarHBondContact O-CB 3.45Å; Q216-E220 PolarHBondContact O-N 3.07Å; E220-S223 PolarHBondContact O-N 3.45Å; E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 2.92Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 2.79Å; E220-R224 PolarHBondContact OE1-NE 3.48Å; E220-R224 IonicContact OE1-NH2 2.74Å; E220-R224 PolarHBondContact OE1-NH2 3.45Å; E220-P242 VanDerWaalsContact OE1-CB 3.24Å; E220-P242 WeakPolarHBondContact OE1-CB 3.44Å; E220-V243 PolarHBondContact OE2-N 3.26Å; E220-L246 HydrophobicContact CB-CD1 3.54Å; E220-L246 HydrophobicContact CG-CB 3.95Å; E220-L246 HydrophobicContact CG-CD1 3.7Å; E220-L246 HydrophobicContact CG-CG 4.48Å; E220-L250 HydrophobicContact CB-CD1 4.04Å; E220-L250 HydrophobicContact CG-CD1 3.63Å
221A92Very high87.3Confident0 Ų050.2 Ų50.20%029%0.285CS..Hα-helixtrans-64-45.8176.200000112.4I200 V217 T218 R219 R224 L225 L250 I319I200-A221 HydrophobicContact CD1-CB 4.14Å; I200-A221 WeakPolarHBondContact CD1-O 3.49Å; V217-A221 VanDerWaalsContact O-CB 3.29Å; V217-A221 WeakPolarHBondContact O-CB 3.22Å; V217-A221 PolarHBondContact O-N 3.1Å; T218-A221 PolarHBondContact O-N 2.88Å; R219-A221 VanDerWaalsContact C-N 3.3Å; R219-A221 PolarHBondContact O-N 3.47Å; A221-R224 PolarHBondContact O-N 3.37Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.04Å; A221-L225 VanDerWaalsContact O-N 3.08Å; A221-L250 HydrophobicContact CB-CD1 4.02Å; A221-L250 HydrophobicContact CB-CD2 4.03Å; A221-I319 HydrophobicContact CB-CD1 3.99Å; A221-I319 WeakPolarHBondContact O-CD1 3.34Å
222I91.9Very high86.2Confident2 Ų244 Ų441%0.0126%0.261CS..Hα-helixtrans-57.1-51.8172.8-67.2162.8000109.5T218 R219 R224 L225 C226 Y303 A305 I319T218-I222 VanDerWaalsContact O-CG1 3.32Å; T218-I222 WeakPolarHBondContact O-CG1 3.27Å; T218-I222 PolarHBondContact O-N 3Å; R219-I222 PolarHBondContact O-N 2.78Å; I222-R224 PolarHBondContact O-N 3.28Å; I222-L225 PolarHBondContact O-N 3.28Å; I222-L225 VanDerWaalsContact O-N 3.11Å; I222-C226 PolarHBondContact O-N 2.74Å; I222-C226 PolarHBondContact O-SG 2.8Å; I222-Y303 HydrophobicContact CG2-CD1 4.05Å; I222-Y303 HydrophobicContact CG2-CD2 4.5Å; I222-Y303 HydrophobicContact CG2-CG 3.9Å; I222-A305 HydrophobicContact CD1-CB 3.98Å; I222-A305 HydrophobicContact CG1-CB 4.12Å; I222-I319 HydrophobicContact CG1-CD1 4.19Å; I222-I319 HydrophobicContact CG1-CG1 4.05Å; I222-I319 HydrophobicContact CG1-CG2 4.08Å
223S89.3Confident84.7Confident62 Ų6247.6 Ų47.643%0.43427%0.268SS..Hα-helixtrans-58-44.4-178.6-165.80000112.9R219 E220 L225 E227R219-S223 PolarHBondContact O-N 3.01Å; E220-S223 PolarHBondContact O-N 3.45Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 2.98Å; S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.08Å
224R88.4Confident82.9Confident59 Ų5948 Ų4822%0.22328%0.279CS..Hα-helixtrans-64.6-35.2177.5-74.4179.9-172.2-173.38.1112.7I200 E220 A221 I222 A228I200-R224 HydrophobicContact CD1-CB 3.92Å; E220-R224 WeakPolarHBondContact O-CB 3.35Å; E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 2.92Å; E220-R224 IonicContact OE1-CZ 3.2Å; E220-R224 IonicContact OE1-NE 2.79Å; E220-R224 PolarHBondContact OE1-NE 3.48Å; E220-R224 IonicContact OE1-NH2 2.74Å; E220-R224 PolarHBondContact OE1-NH2 3.45Å; A221-R224 PolarHBondContact O-N 3.37Å; I222-R224 PolarHBondContact O-N 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.76Å
225L89.1Confident80.8Confident0 Ų048.2 Ų48.20%030%0.295CS..Hα-helixtrans-78.1-38.9-178.9-146.768000111.5M197 I200 A221 I222 S223 E227 A228 V229 L255 I319M197-L225 HydrophobicContact CB-CD2 3.6Å; M197-L225 HydrophobicContact CB-CG 4.29Å; M197-L225 WeakPolarHBondContact O-CD2 3.5Å; I200-L225 HydrophobicContact CD1-CB 4.38Å; I200-L225 HydrophobicContact CD1-CD1 4.1Å; I200-L225 HydrophobicContact CG1-CD1 3.89Å; A221-L225 WeakPolarHBondContact O-CB 3.34Å; A221-L225 PolarHBondContact O-N 3.04Å; A221-L225 VanDerWaalsContact O-N 3.08Å; I222-L225 PolarHBondContact O-N 3.28Å; I222-L225 VanDerWaalsContact O-N 3.11Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 2.98Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.79Å; L225-A228 PolarHBondContact O-N 2.98Å; L225-V229 HydrophobicContact CG-CG2 4.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3.43Å; L225-L255 HydrophobicContact CD1-CD2 3.53Å; L225-L255 HydrophobicContact CG-CD2 4.27Å; L225-I319 HydrophobicContact CB-CD1 4.1Å; L225-I319 HydrophobicContact CD2-CB 3.84Å; L225-I319 HydrophobicContact CD2-CD1 3.68Å; L225-I319 HydrophobicContact CD2-CG1 4.34Å; L225-I319 HydrophobicContact CD2-CG2 4.34Å
226C85.9Confident79.1Confident29 Ų2955.4 Ų55.420%0.19633%0.331CS..Hα-helixtrans-64.1-31.3172-63.10000113I222 A228 Y303I222-C226 PolarHBondContact O-N 2.74Å; I222-C226 PolarHBondContact O-SG 2.8Å; C226-A228 VanDerWaalsContact C-N 3.31Å; C226-Y303 WeakPolarHBondContact SG-CE1 3.29Å; C226-Y303 VanDerWaalsContact SG-CZ 3.56Å
227E85.1Confident77.4Confident127 Ų12760.2 Ų60.259%0.59335%0.351SS*.Hα-helixtrans-72.7-21.6170.2-75.2-170.316900113.2S223 L225S223-E227 PolarHBondContact O-N 2.72Å; S223-E227 VanDerWaalsContact O-N 3.08Å; L225-E227 VanDerWaalsContact C-N 3.3Å; L225-E227 PolarHBondContact O-N 2.79Å
228A84.2Confident75.6Confident44 Ų4469.9 Ų69.936%0.36439%0.393SS..Hα-helixtrans-100.2-21.2-174.200000114.9R224 L225 C226 P230 L255R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.76Å; L225-A228 PolarHBondContact O-N 2.98Å; C226-A228 VanDerWaalsContact C-N 3.31Å; A228-P230 WeakPolarHBondContact O-CD 3.32Å; A228-L255 HydrophobicContact CB-CD1 4.19Å
229V82.4Confident73.8Confident11 Ų1178.9 Ų78.97%0.06743%0.426CS..SBendtrans-98114.2-177.8177.20000110.8M197 L225 G231 A232 L255M197-V229 WeakPolarHBondContact O-CG2 3.4Å; M197-V229 HydrophobicContact SD-CG1 4.34Å; L225-V229 HydrophobicContact CG-CG2 4.31Å; L225-V229 WeakPolarHBondContact O-CG2 3.36Å; L225-V229 PolarHBondContact O-N 3.43Å; V229-G231 PolarHBondContact O-N 2.82Å; V229-A232 HydrophobicContact CG1-CB 4.46Å; V229-L255 HydrophobicContact CG2-CD2 3.84Å
230P67.4Low72.3Confident125 Ų12582.8 Ų82.881%0.81245%0.446SS*.THydrogen-bonded Turntrans-63.8122.7175.6-20.233000111.4A228A228-P230 WeakPolarHBondContact O-CD 3.32Å
231G68Low70.6Confident67 Ų6786.5 Ų86.569%0.69147%0.472SS*.THydrogen-bonded Turntrans94.13.5172.200000116.7V229V229-G231 PolarHBondContact O-N 2.82Å
232A66.4Low69Low16 Ų1689.9 Ų89.913%0.13249%0.494CS..  trans-64.2142.2165.200000110.3M197 V229 G234M197-A232 HydrophobicContact SD-CB 3.72Å; V229-A232 HydrophobicContact CG1-CB 4.46Å; A232-G234 PolarHBondContact O-N 2.78Å
233N57.6Low67.7Low124 Ų12492.7 Ų92.766%0.66351%0.511SS*.SBendtrans-78.226.5-173.7-79.4-61.3000114.6A235 E321N233-A235 PolarHBondContact O-N 2.91Å; N233-E321 PolarHBondContact N-OE1 2.95Å
234G54.8Low66.8Low35 Ų3598.8 Ų98.836%0.36153%0.53SS..  trans-69.597.3168.500000110.8A232 I236A232-G234 PolarHBondContact O-N 2.78Å; G234-I236 PolarHBondContact O-N 3.02Å
235A46.7Very low66.1Low71 Ų71102.3 Ų102.359%0.58755%0.547SS*.  trans-54129.3179.500000111.4N233 K237N233-A235 PolarHBondContact O-N 2.91Å; A235-K237 HydrophobicContact CB-CD 4.5Å; A235-K237 HydrophobicContact CB-CG 4.46Å; A235-K237 PolarHBondContact O-N 2.91Å
236I57.1Low65.6Low179 Ų179102.3 Ų102.392%0.91855%0.547SS*.  trans-71.965.7-168-44.2172.8000111.9G234G234-I236 PolarHBondContact O-N 3.02Å
237K54.3Low65.3Low184 Ų184104 Ų10480%0.856%0.559SS**  trans-108.779.8-170.9-75.8-176.8175.5174.70112.1A235 R239A235-K237 HydrophobicContact CB-CD 4.5Å; A235-K237 HydrophobicContact CB-CG 4.46Å; A235-K237 PolarHBondContact O-N 2.91Å; K237-R239 PolarHBondContact O-N 2.86Å
238K54.1Low65.2Low203 Ų203102.1 Ų102.188%0.88356%0.556SS**  trans39.168.7157.9-67.9-165.2173.1-1730116.7
239R55.5Low65.4Low189 Ų189100 Ų10071%0.71354%0.539SS*.  trans2999133.4-165.5-176.2-155.5-173.27.6116.4K237K237-R239 PolarHBondContact O-N 2.86Å
240K57.7Low65.8Low191 Ų19199.7 Ų99.783%0.8354%0.537SS*.PPolyproline II helixtrans-71.2138.8141.8-72.1173.1-178.7166.40107.2
241P55.3Low66.8Low99 Ų9994.9 Ų94.964%0.64351%0.51SS*.PPolyproline II helixtrans-65.2143.7174.228.1-33.7000109.9V243P241-V243 PolarHBondContact O-N 2.83Å
242P57.7Low67.9Low70 Ų7099.7 Ų99.746%0.45551%0.512SS..PPolyproline II helixtrans-58.5134.7-179.924.3-34.3000110.4E220 K244E220-P242 VanDerWaalsContact OE1-CB 3.24Å; E220-P242 WeakPolarHBondContact OE1-CB 3.44Å; P242-K244 PolarHBondContact O-N 2.98Å
243V65.3Low69Low62 Ų62102.1 Ų102.138%0.37653%0.528SS..  trans-73.2115.7-171.9-172.20000108.8E220 P241 F245 L246E220-V243 PolarHBondContact OE2-N 3.26Å; P241-V243 PolarHBondContact O-N 2.83Å; V243-F245 HydrophobicContact CG1-CB 4.32Å; V243-F245 PolarHBondContact O-N 2.87Å; V243-L246 HydrophobicContact CB-CD1 3.85Å; V243-L246 HydrophobicContact CB-CG 4.02Å; V243-L246 HydrophobicContact CG1-CG 4.44Å; V243-L246 HydrophobicContact CG2-CD1 4.14Å; V243-L246 PolarHBondContact O-N 3.26Å
244K68.9Low70.6Confident190 Ų19097.9 Ų97.983%0.82651%0.506SS*.THydrogen-bonded Turntrans-53.1-24.1-175.1-65.5-176.1178.9-1790114.7P242 S247P242-K244 PolarHBondContact O-N 2.98Å; K244-S247 PolarHBondContact O-OG 3.29Å
245F74.4Confident72.2Confident133 Ų13399 Ų9958%0.58350%0.503SS*.THydrogen-bonded Turntrans-74.2-30.5175.6-173-123.7000113.2M213 V243 T248M213-F245 HydrophobicContact CE-CD1 3.77Å; M213-F245 HydrophobicContact CE-CE1 3.38Å; M213-F245 HydrophobicContact CE-CZ 4.21Å; M213-F245 HydrophobicContact SD-CD1 4.27Å; M213-F245 HydrophobicContact SD-CE1 3.9Å; V243-F245 HydrophobicContact CG1-CB 4.32Å; V243-F245 PolarHBondContact O-N 2.87Å; F245-T248 PolarHBondContact O-OG1 3.47Å
246L78.8Confident74Confident0 Ų0102.4 Ų102.40%051%0.507CS..G310 helixtrans-81.5-16.2-176.1-57.9175.6000112.9M213 Q216 V217 E220 V243 T248 V249 L250M213-L246 HydrophobicContact CE-CD2 3.65Å; M213-L246 HydrophobicContact SD-CD2 3.89Å; Q216-L246 HydrophobicContact CG-CD1 3.87Å; V217-L246 HydrophobicContact CG2-CD2 3.9Å; E220-L246 HydrophobicContact CB-CD1 3.54Å; E220-L246 HydrophobicContact CG-CB 3.95Å; E220-L246 HydrophobicContact CG-CD1 3.7Å; E220-L246 HydrophobicContact CG-CG 4.48Å; V243-L246 HydrophobicContact CB-CD1 3.85Å; V243-L246 HydrophobicContact CB-CG 4.02Å; V243-L246 HydrophobicContact CG1-CG 4.44Å; V243-L246 HydrophobicContact CG2-CD1 4.14Å; V243-L246 PolarHBondContact O-N 3.26Å; L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.97Å; L246-V249 PolarHBondContact O-N 2.92Å; L246-V249 VanDerWaalsContact O-N 3.15Å; L246-L250 PolarHBondContact O-N 3.45Å
247S79.6Confident75.4Confident64 Ų6497 Ų9745%0.44848%0.477SS..G310 helixtrans-71.3-7.8171.529.50000115.3K244K244-S247 PolarHBondContact O-OG 3.29Å
248T83.5Confident77.1Confident87 Ų8790.1 Ų90.153%0.53445%0.452SS..G310 helixtrans-87.4-19.2166.559.60000112.3F245 L246F245-T248 PolarHBondContact O-OG1 3.47Å; L246-T248 VanDerWaalsContact C-N 3.25Å; L246-T248 PolarHBondContact O-N 2.97Å
249V88.1Confident78.7Confident0 Ų082 Ų820%043%0.425CS..THydrogen-bonded Turntrans-99.3-39.5-177.5-176.90000111.7V202 L203 Q204 L209 M213 V217 L246V202-V249 CarbonylContact C-O 3.57Å; V202-V249 WeakPolarHBondContact CA-O 3.43Å; V202-V249 HydrophobicContact CG1-CG1 3.93Å; V202-V249 WeakPolarHBondContact CG1-O 3.29Å; L203-V249 PolarHBondContact N-O 2.88Å; Q204-V249 HydrophobicContact CB-CG1 4.32Å; Q204-V249 HydrophobicContact CB-CG2 4.43Å; L209-V249 HydrophobicContact CD1-CG1 3.99Å; M213-V249 HydrophobicContact CE-CG2 3.87Å; V217-V249 HydrophobicContact CG1-CG1 3.99Å; V217-V249 HydrophobicContact CG2-CB 4.28Å; V217-V249 HydrophobicContact CG2-CG1 3.76Å; L246-V249 PolarHBondContact O-N 2.92Å; L246-V249 VanDerWaalsContact O-N 3.15Å
250L90.5Very high80.4Confident4 Ų475.6 Ų75.62%0.02140%0.404CS..EExtended strand (participates in β ladder)trans-98.1117.8176.7-67.1175.2000110.7I200 V202 V217 E220 A221 L246I200-L250 HydrophobicContact CG2-CB 4.22Å; I200-L250 HydrophobicContact CG2-CD2 4.09Å; V202-L250 HydrophobicContact CG2-CD2 4.22Å; V217-L250 HydrophobicContact CG1-CD2 3.77Å; V217-L250 HydrophobicContact CG1-CG 4.14Å; E220-L250 HydrophobicContact CB-CD1 4.04Å; E220-L250 HydrophobicContact CG-CD1 3.63Å; A221-L250 HydrophobicContact CB-CD1 4.02Å; A221-L250 HydrophobicContact CB-CD2 4.03Å; L246-L250 PolarHBondContact O-N 3.45Å
251G89.5Confident82Confident24 Ų2469.7 Ų69.725%0.24738%0.382CS..EExtended strand (participates in β ladder)trans-85.6-135.4175.900000112.7E201E201-G251 PolarHBondContact O-N 2.82Å
252K89.4Confident83.9Confident168 Ų16865 Ų6573%0.7335%0.351SS*.EExtended strand (participates in β ladder)trans-78.2147.1-176-62.9173.2-174.61710112.4I200 E201I200-K252 WeakPolarHBondContact CA-O 3.42Å; E201-K252 WeakPolarHBondContact CB-O 3.29Å; E201-K252 PolarHBondContact N-O 2.91Å; E201-K252 PolarHBondContact OE2-N 3.02Å
253S91Very high85.7Confident68 Ų6865.4 Ų65.448%0.47635%0.345SS..EExtended strand (participates in β ladder)trans-82.7140.6165.945.40000111.1C199C199-S253 WeakPolarHBondContact O-CA 3.27Å
254N89.6Confident87.1Confident35 Ų3562.4 Ų62.419%0.18733%0.328CS..EExtended strand (participates in β ladder)trans-114.7119.4169.7-176.62.5000109.2C199 Q256 N313C199-N254 PolarHBondContact N-O 3.39Å; C199-N254 VanDerWaalsContact N-O 3.09Å; C199-N254 PolarHBondContact O-N 2.99Å; N254-Q256 WeakPolarHBondContact OD1-CB 3.47Å; N254-Q256 VanDerWaalsContact OD1-CD 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CG 3.32Å; N254-Q256 PolarHBondContact OD1-N 3.31Å; N254-Q256 VanDerWaalsContact OD1-N 3.12Å; N254-Q256 PolarHBondContact OD1-NE2 2.9Å; N254-N313 PolarHBondContact ND2-OD1 2.75Å
255L89.8Confident88.3Confident58 Ų5854.5 Ų54.530%0.30430%0.295SS..  trans-113.310.9-175-60.7178.7000113.2L225 A228 V229 F257 S258L225-L255 HydrophobicContact CD1-CD2 3.53Å; L225-L255 HydrophobicContact CG-CD2 4.27Å; A228-L255 HydrophobicContact CB-CD1 4.19Å; V229-L255 HydrophobicContact CG2-CD2 3.84Å; L255-F257 PolarHBondContact O-N 2.89Å; L255-S258 WeakPolarHBondContact O-CB 3.35Å; L255-S258 PolarHBondContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.68Å; L255-S258 VanDerWaalsContact O-OG 3.05Å
256Q84.4Confident89.3Confident142 Ų14248.1 Ų48.166%0.66427%0.267SS*.THydrogen-bonded Turntrans-53.3-26.7-174.2-75.616624.600114.9N254N254-Q256 WeakPolarHBondContact OD1-CB 3.47Å; N254-Q256 VanDerWaalsContact OD1-CD 3.32Å; N254-Q256 WeakPolarHBondContact OD1-CG 3.32Å; N254-Q256 PolarHBondContact OD1-N 3.31Å; N254-Q256 VanDerWaalsContact OD1-N 3.12Å; N254-Q256 PolarHBondContact OD1-NE2 2.9Å
257F86.3Confident89.9Confident67 Ų6748.9 Ų48.929%0.29427%0.273SS..THydrogen-bonded Turntrans-125.419.7178.9-53.8-78.8000112.5Y196 L255 M260 I282Y196-F257 HydrophobicContact CD1-CB 3.89Å; Y196-F257 WeakPolarHBondContact CD1-O 3.12Å; Y196-F257 HydrophobicContact CE1-CB 4.08Å; L255-F257 PolarHBondContact O-N 2.89Å; F257-M260 HydrophobicContact CB-SD 3.79Å; F257-M260 HydrophobicContact CD1-SD 3.81Å; F257-M260 HydrophobicContact CG-SD 4.31Å; F257-M260 WeakPolarHBondContact O-CB 3.48Å; F257-M260 WeakPolarHBondContact O-CG 3.37Å; F257-M260 PolarHBondContact O-N 2.8Å; F257-I282 HydrophobicContact CB-CD1 4.4Å; F257-I282 HydrophobicContact CB-CG2 4.25Å; F257-I282 HydrophobicContact CD1-CG2 4.28Å; F257-I282 HydrophobicContact CD2-CG2 3.59Å; F257-I282 HydrophobicContact CE2-CG2 3.96Å; F257-I282 HydrophobicContact CG-CG2 3.77Å; F257-I282 HydrophobicContact CZ-CG2 4.45Å
258S90.4Very high90.5Very high39 Ų3946 Ų4627%0.27325%0.252SS..THydrogen-bonded Turntrans-67.8137.3-174.464.20000112.7M197 L255 M260M197-S258 WeakPolarHBondContact O-CB 3.48Å; L255-S258 WeakPolarHBondContact O-CB 3.35Å; L255-S258 PolarHBondContact O-N 3.14Å; L255-S258 PolarHBondContact O-OG 2.68Å; L255-S258 VanDerWaalsContact O-OG 3.05Å; S258-M260 VanDerWaalsContact C-N 3.29Å
259G87.6Confident90.8Very high31 Ų3144.2 Ų44.232%0.3224%0.242SC..THydrogen-bonded Turntrans84.6-3.8179.800000114.3R195 Y196R195-G259 VanDerWaalsContact CD-O 3.27Å; R195-G259 WeakPolarHBondContact CD-O 3.24Å; R195-G259 VanDerWaalsContact CG-O 3.31Å; R195-G259 WeakPolarHBondContact CG-O 3.36Å; Y196-G259 PolarHBondContact O-N 2.82Å
260M90Very high91Very high55 Ų5545 Ų4527%0.27125%0.248SC..EExtended strand (participates in β ladder)trans-76.1140.1-179-62.6-177.771.300111.8R195 Y196 F257 S258 N275R195-M260 CarbonylContact C-O 3.46Å; R195-M260 WeakPolarHBondContact CA-O 3.24Å; R195-M260 WeakPolarHBondContact CG-O 3.47Å; Y196-M260 PolarHBondContact N-O 3.49Å; F257-M260 HydrophobicContact CB-SD 3.79Å; F257-M260 HydrophobicContact CD1-SD 3.81Å; F257-M260 HydrophobicContact CG-SD 4.31Å; F257-M260 WeakPolarHBondContact O-CB 3.48Å; F257-M260 WeakPolarHBondContact O-CG 3.37Å; F257-M260 PolarHBondContact O-N 2.8Å; S258-M260 VanDerWaalsContact C-N 3.29Å; M260-N275 HydrophobicContact CE-CB 4.43Å; M260-N275 VanDerWaalsContact CE-ND2 3.32Å; M260-N275 WeakPolarHBondContact CE-ND2 3.32Å
261N92.6Very high91.2Very high68 Ų6844.9 Ų44.936%0.36425%0.247SC..EExtended strand (participates in β ladder)trans-83.5122.3175.6-52.7-53.9000109R195 N275 L276R195-N261 PolarHBondContact NE-OD1 3.5Å; R195-N261 VanDerWaalsContact NE-OD1 3.14Å; N261-N275 PolarHBondContact O-OD1 2.84Å; N261-L276 HydrophobicContact CB-CD1 3.97Å; N261-L276 WeakPolarHBondContact O-CB 3.35Å; N261-L276 PolarHBondContact O-N 2.84Å; N261-L276 VanDerWaalsContact O-N 3.13Å
262I94.8Very high91.4Very high0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-121.5151.8-173.969.4157.5000111.8C193 V194 Y196 L273 M274 I282 L320C193-I262 WeakPolarHBondContact CA-O 3.45Å; V194-I262 HydrophobicContact CG2-CD1 4.09Å; V194-I262 HydrophobicContact CG2-CG1 3.68Å; V194-I262 PolarHBondContact N-O 3.07Å; V194-I262 VanDerWaalsContact O-CG1 3.29Å; V194-I262 WeakPolarHBondContact O-CG1 3.17Å; V194-I262 PolarHBondContact O-N 2.82Å; Y196-I262 HydrophobicContact CD2-CD1 4.26Å; I262-L273 HydrophobicContact CD1-CB 3.92Å; I262-L273 HydrophobicContact CD1-CD2 3.76Å; I262-L273 HydrophobicContact CD1-CG 3.65Å; I262-M274 CarbonylContact C-O 3.54Å; I262-M274 VanDerWaalsContact CA-O 3.29Å; I262-M274 WeakPolarHBondContact CA-O 3.45Å; I262-M274 WeakPolarHBondContact CB-O 3.42Å; I262-I282 HydrophobicContact CG2-CD1 3.62Å; I262-L320 HydrophobicContact CD1-CD2 4Å
263K94.7Very high91.6Very high78 Ų7836.9 Ų36.934%0.33921%0.208SC..EExtended strand (participates in β ladder)trans-90.1106162.5-178.5178.9171.7-1720107.5N191 Y192 M274 L276N191-K263 HydrophobicContact CB-CG 4.5Å; N191-K263 WeakPolarHBondContact OD1-CE 3.36Å; Y192-K263 WeakPolarHBondContact O-CA 3.35Å; K263-M274 HydrophobicContact CB-CB 4.42Å; K263-M274 HydrophobicContact CD-SD 4.41Å; K263-M274 PolarHBondContact N-O 2.79Å; K263-M274 PolarHBondContact O-N 2.8Å; K263-L276 HydrophobicContact CB-CD2 3.88Å; K263-L276 HydrophobicContact CB-CG 4.32Å
264L94.8Very high91.7Very high0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-82.3117.8167.8175.272000108.5N191 Y192 V194 I266 L271 L273 L320 V330N191-L264 CarbonylContact C-O 3.52Å; N191-L264 WeakPolarHBondContact CA-O 3.44Å; Y192-L264 PolarHBondContact N-O 2.87Å; Y192-L264 PolarHBondContact O-N 3.08Å; V194-L264 HydrophobicContact CG2-CB 3.97Å; L264-I266 HydrophobicContact CD2-CD1 3.92Å; L264-I266 HydrophobicContact CD2-CG1 3.94Å; L264-I266 HydrophobicContact CG-CD1 4.47Å; L264-I266 HydrophobicContact CG-CG1 3.95Å; L264-L271 HydrophobicContact CD1-CB 4.29Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; L264-L273 HydrophobicContact CD1-CG 4.12Å; L264-L320 HydrophobicContact CD2-CD1 3.87Å; L264-V330 HydrophobicContact CD2-CG1 3.87Å
265T94.5Very high91.9Very high23 Ų2334.6 Ų34.614%0.14119%0.189CC..EExtended strand (participates in β ladder)trans-101.4121.7171-54.20000109.5M188 M190 N191 L271 T272M188-T265 WeakPolarHBondContact O-CG2 3.34Å; M190-T265 CarbonylContact O-C 3.52Å; M190-T265 WeakPolarHBondContact O-CA 3.49Å; N191-T265 PolarHBondContact OD1-OG1 2.94Å; T265-L271 WeakPolarHBondContact O-CA 3.41Å; T265-T272 PolarHBondContact N-O 3.1Å; T265-T272 PolarHBondContact O-N 3.2Å
266I94.7Very high91.9Very high0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-107.7109-178.7-49-177.4000109L185 G189 M190 Y192 L264 L271 V330 T333 I334 A337L185-I266 HydrophobicContact CD2-CG2 4.2Å; G189-I266 CarbonylContact C-O 3.55Å; G189-I266 WeakPolarHBondContact CA-O 3.08Å; M190-I266 PolarHBondContact N-O 2.71Å; M190-I266 PolarHBondContact O-N 2.86Å; Y192-I266 HydrophobicContact CD2-CD1 3.7Å; Y192-I266 HydrophobicContact CD2-CG1 4.07Å; Y192-I266 HydrophobicContact CE2-CD1 3.53Å; Y192-I266 HydrophobicContact CE2-CG1 4.11Å; L264-I266 HydrophobicContact CD2-CD1 3.92Å; L264-I266 HydrophobicContact CD2-CG1 3.94Å; L264-I266 HydrophobicContact CG-CD1 4.47Å; L264-I266 HydrophobicContact CG-CG1 3.95Å; I266-L271 HydrophobicContact CB-CD2 4.06Å; I266-L271 HydrophobicContact CG1-CD2 3.92Å; I266-L271 HydrophobicContact CG2-CD2 3.74Å; I266-V330 HydrophobicContact CD1-CG1 4.35Å; I266-T333 HydrophobicContact CB-CG2 4.33Å; I266-T333 HydrophobicContact CD1-CG2 4.03Å; I266-T333 HydrophobicContact CG2-CG2 4.08Å; I266-I334 HydrophobicContact CD1-CG1 4.01Å; I266-A337 HydrophobicContact CG2-CB 4.03Å
267S93.1Very high92.2Very high16 Ų1634.5 Ų34.511%0.11219%0.193CC..  trans-117.4163.4174.6172.20000110.3C269 S270 M287S267-C269 PolarHBondContact O-N 2.87Å; S267-C269 PolarHBondContact OG-N 3Å; S267-S270 PolarHBondContact N-O 3.2Å; S267-M287 WeakPolarHBondContact O-CE 3.46Å
268T90.6Very high92.4Very high4 Ų435.4 Ų35.43%0.02520%0.201CC..SBendtrans-62.3-19.4166.251.70000113L185 L186 M287 L340 R341L185-T268 PolarHBondContact O-N 3.34Å; L185-T268 VanDerWaalsContact O-N 3.1Å; L186-T268 HydrophobicContact CD2-CG2 4.02Å; T268-M287 VanDerWaalsContact O-CG 3.29Å; T268-M287 WeakPolarHBondContact O-CG 3.47Å; T268-L340 HydrophobicContact CG2-CB 3.76Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å; T268-R341 WeakPolarHBondContact O-CD 3.32Å
269C89.8Confident92.2Very high48 Ų4840.7 Ų40.732%0.32422%0.222SC..SBendtrans-83.8-53.4176.4-67.20000112.7S267 H286 M287 R341S267-C269 PolarHBondContact O-N 2.87Å; S267-C269 PolarHBondContact OG-N 3Å; C269-H286 PolarHBondContact O-CD2 3.35Å; C269-M287 PolarHBondContact O-N 2.93Å; C269-R341 PolarHBondContact O-NH1 3.36Å
270S92.8Very high92.4Very high18 Ų1844.2 Ų44.213%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-153.7166.6-175.965.50000114.4S267 N284 H285S267-S270 PolarHBondContact N-O 3.2Å; S270-N284 WeakPolarHBondContact CB-OD1 3.19Å; S270-N284 PolarHBondContact OG-OD1 3.09Å; S270-H285 CarbonylContact C-O 3.54Å; S270-H285 VanDerWaalsContact CA-O 3.28Å; S270-H285 WeakPolarHBondContact CA-O 3.4Å; S270-H285 VanDerWaalsContact CB-O 3.32Å; S270-H285 WeakPolarHBondContact CB-O 3.31Å
271L94.3Very high92.5Very high0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-94.3116.3159.3-60.2-174.9000108.9L264 T265 I266 L273 N284 H285 M287 I290 Y306 I334L264-L271 HydrophobicContact CD1-CB 4.29Å; T265-L271 WeakPolarHBondContact O-CA 3.41Å; I266-L271 HydrophobicContact CB-CD2 4.06Å; I266-L271 HydrophobicContact CG1-CD2 3.92Å; I266-L271 HydrophobicContact CG2-CD2 3.74Å; L271-L273 HydrophobicContact CB-CD1 4.27Å; L271-N284 CarbonylContact O-C 3.6Å; L271-N284 WeakPolarHBondContact O-CA 3.47Å; L271-H285 HydrophobicContact CB-CB 4.39Å; L271-H285 PolarHBondContact N-O 3.4Å; L271-H285 PolarHBondContact O-N 3.1Å; L271-M287 HydrophobicContact CB-CE 4.47Å; L271-M287 HydrophobicContact CD2-CE 3.63Å; L271-M287 HydrophobicContact CG-CE 3.62Å; L271-I290 HydrophobicContact CB-CD1 4.39Å; L271-I290 HydrophobicContact CD1-CD1 3.63Å; L271-I290 HydrophobicContact CG-CD1 3.68Å; L271-Y306 HydrophobicContact CD1-CD1 4.39Å; L271-Y306 HydrophobicContact CD1-CD2 4.14Å; L271-Y306 HydrophobicContact CD1-CE1 4.32Å; L271-Y306 HydrophobicContact CD1-CE2 4.07Å; L271-Y306 HydrophobicContact CD1-CG 4.31Å; L271-I334 HydrophobicContact CD1-CD1 4.32Å; L271-I334 HydrophobicContact CD2-CG1 4.28Å
272T93.5Very high92.3Very high24 Ų2444.4 Ų44.415%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-103.3127173.6-58.20000109.4T265 I281 N284T265-T272 PolarHBondContact N-O 3.1Å; T265-T272 PolarHBondContact O-N 3.2Å; T272-I281 HydrophobicContact CG2-CD1 4.2Å; T272-I281 HydrophobicContact CG2-CG1 4.11Å; T272-I281 HydrophobicContact CG2-CG2 3.99Å; T272-N284 PolarHBondContact OG1-OD1 3.32Å
273L93.7Very high92.1Very high0 Ų044.9 Ų44.90%024%0.235CC..EExtended strand (participates in β ladder)trans-106102.7178.6-77.971.6000107.9Y196 I262 L264 L271 I282 A283 Y306 L320Y196-L273 HydrophobicContact CD2-CD2 3.67Å; Y196-L273 HydrophobicContact CE2-CD2 3.58Å; I262-L273 HydrophobicContact CD1-CB 3.92Å; I262-L273 HydrophobicContact CD1-CD2 3.76Å; I262-L273 HydrophobicContact CD1-CG 3.65Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; L264-L273 HydrophobicContact CD1-CG 4.12Å; L271-L273 HydrophobicContact CB-CD1 4.27Å; L273-I282 PolarHBondContact O-N 3.48Å; L273-A283 HydrophobicContact CB-CB 4.43Å; L273-A283 PolarHBondContact N-O 3.05Å; L273-A283 PolarHBondContact O-N 3.43Å; L273-Y306 VanDerWaalsContact CD1-OH 3.31Å; L273-Y306 WeakPolarHBondContact CD1-OH 3.39Å; L273-Y306 WeakPolarHBondContact CD2-OH 2.96Å; L273-L320 HydrophobicContact CD2-CD2 4.48Å
274M93.6Very high91.9Very high48 Ų4845.6 Ų45.624%0.23624%0.242CC..EExtended strand (participates in β ladder)trans-108.1131-179.4175.2-179.8-79.600110I262 K263 Q279 Q280 I281I262-M274 CarbonylContact C-O 3.54Å; I262-M274 VanDerWaalsContact CA-O 3.29Å; I262-M274 WeakPolarHBondContact CA-O 3.45Å; I262-M274 WeakPolarHBondContact CB-O 3.42Å; K263-M274 HydrophobicContact CB-CB 4.42Å; K263-M274 HydrophobicContact CD-SD 4.41Å; K263-M274 PolarHBondContact N-O 2.79Å; K263-M274 PolarHBondContact O-N 2.8Å; M274-Q279 HydrophobicContact SD-CB 4.47Å; M274-Q280 CarbonylContact C-O 3.57Å; M274-Q280 WeakPolarHBondContact CA-O 3.43Å; M274-I281 HydrophobicContact CE-CG1 4.18Å
275N94.3Very high91.8Very high7 Ų745.6 Ų45.64%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-65.8136.417217920.6000110.6M260 N261 D277 N278 Q279 Q280 I282M260-N275 HydrophobicContact CE-CB 4.43Å; M260-N275 VanDerWaalsContact CE-ND2 3.32Å; M260-N275 WeakPolarHBondContact CE-ND2 3.32Å; N261-N275 PolarHBondContact O-OD1 2.84Å; N275-D277 PolarHBondContact OD1-N 2.98Å; N275-N278 VanDerWaalsContact CB-OD1 3.25Å; N275-N278 WeakPolarHBondContact CB-OD1 3.4Å; N275-N278 VanDerWaalsContact ND2-CG 3.31Å; N275-N278 PolarHBondContact ND2-N 3.34Å; N275-N278 PolarHBondContact ND2-OD1 2.84Å; N275-Q279 WeakPolarHBondContact O-CA 3.43Å; N275-Q279 PolarHBondContact O-N 2.87Å; N275-Q279 VanDerWaalsContact O-N 3.12Å; N275-Q280 PolarHBondContact N-O 3.49Å; N275-I282 HydrophobicContact CB-CD1 4.17Å; N275-I282 HydrophobicContact CB-CG1 4.42Å
276L90.3Very high91.7Very high70 Ų7048 Ų4837%0.36625%0.251SS..THydrogen-bonded Turntrans-68.8-35.5177.2-75.8164.2000112.5C193 N261 K263C193-L276 HydrophobicContact CB-CD1 4.31Å; N261-L276 HydrophobicContact CB-CD1 3.97Å; N261-L276 WeakPolarHBondContact O-CB 3.35Å; N261-L276 PolarHBondContact O-N 2.84Å; N261-L276 VanDerWaalsContact O-N 3.13Å; K263-L276 HydrophobicContact CB-CD2 3.88Å; K263-L276 HydrophobicContact CB-CG 4.32Å
277D90.6Very high91.5Very high128 Ų12848.1 Ų48.168%0.68425%0.252SS*.THydrogen-bonded Turntrans-79.6-40.8-168.8-58.2-42.6000113.4N275N275-D277 PolarHBondContact OD1-N 2.98Å
278N89Confident91.3Very high87 Ų8753.1 Ų53.147%0.46527%0.274SS..THydrogen-bonded Turntrans-114.13.3-17979-11.7000114.3N275 Q280N275-N278 VanDerWaalsContact CB-OD1 3.25Å; N275-N278 WeakPolarHBondContact CB-OD1 3.4Å; N275-N278 VanDerWaalsContact ND2-CG 3.31Å; N275-N278 PolarHBondContact ND2-N 3.34Å; N275-N278 PolarHBondContact ND2-OD1 2.84Å; N278-Q280 PolarHBondContact ND2-OE1 2.85Å; N278-Q280 PolarHBondContact O-N 3.24Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.48Å; N278-Q280 PolarHBondContact OD1-N 2.93Å
279Q87.8Confident91.3Very high149 Ų14954.5 Ų54.570%0.69628%0.284SS*.  trans56.614.7-179.1-54.2-175.421.900115.2M274 N275M274-Q279 HydrophobicContact SD-CB 4.47Å; N275-Q279 WeakPolarHBondContact O-CA 3.43Å; N275-Q279 PolarHBondContact O-N 2.87Å; N275-Q279 VanDerWaalsContact O-N 3.12Å
280Q91.6Very high91.4Very high105 Ų10552.8 Ų52.849%0.49127%0.271SS..  trans-76.3137.6178.6-172.2-178.6300111.2M274 N275 N278 I282M274-Q280 CarbonylContact C-O 3.57Å; M274-Q280 WeakPolarHBondContact CA-O 3.43Å; N275-Q280 PolarHBondContact N-O 3.49Å; N278-Q280 PolarHBondContact ND2-OE1 2.85Å; N278-Q280 PolarHBondContact O-N 3.24Å; N278-Q280 WeakPolarHBondContact OD1-CB 3.48Å; N278-Q280 PolarHBondContact OD1-N 2.93Å; Q280-I282 PolarHBondContact O-N 3.29Å
281I90.8Very high91.3Very high94 Ų9453.6 Ų53.648%0.48228%0.277SS..EExtended strand (participates in β ladder)trans-73.9118.1168.9-59.8173.5000108.7T272 M274 A283 N284T272-I281 HydrophobicContact CG2-CD1 4.2Å; T272-I281 HydrophobicContact CG2-CG1 4.11Å; T272-I281 HydrophobicContact CG2-CG2 3.99Å; M274-I281 HydrophobicContact CE-CG1 4.18Å; I281-A283 WeakPolarHBondContact CG2-O 3.5Å; I281-N284 HydrophobicContact CG2-CB 4.45Å
282I89.5Confident91.3Very high34 Ų3454.7 Ų54.717%0.17428%0.282CS..EExtended strand (participates in β ladder)trans-82-42.9175.6-57.3172.4000110F257 I262 L273 N275 Q280F257-I282 HydrophobicContact CB-CD1 4.4Å; F257-I282 HydrophobicContact CB-CG2 4.25Å; F257-I282 HydrophobicContact CD1-CG2 4.28Å; F257-I282 HydrophobicContact CD2-CG2 3.59Å; F257-I282 HydrophobicContact CE2-CG2 3.96Å; F257-I282 HydrophobicContact CG-CG2 3.77Å; F257-I282 HydrophobicContact CZ-CG2 4.45Å; I262-I282 HydrophobicContact CG2-CD1 3.62Å; L273-I282 PolarHBondContact O-N 3.48Å; N275-I282 HydrophobicContact CB-CD1 4.17Å; N275-I282 HydrophobicContact CB-CG1 4.42Å; Q280-I282 PolarHBondContact O-N 3.29Å
283A89.4Confident91.3Very high10 Ų1054.9 Ų54.98%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-154.2155.3178.600000111.4L273 I281L273-A283 HydrophobicContact CB-CB 4.43Å; L273-A283 PolarHBondContact N-O 3.05Å; L273-A283 PolarHBondContact O-N 3.43Å; I281-A283 WeakPolarHBondContact CG2-O 3.5Å
284N91.2Very high91.3Very high92 Ų9255.7 Ų55.749%0.49229%0.291SS..EExtended strand (participates in β ladder)trans-137.799.8174.9-178.88000109.1S270 L271 T272 I281S270-N284 WeakPolarHBondContact CB-OD1 3.19Å; S270-N284 PolarHBondContact OG-OD1 3.09Å; L271-N284 CarbonylContact O-C 3.6Å; L271-N284 WeakPolarHBondContact O-CA 3.47Å; T272-N284 PolarHBondContact OG1-OD1 3.32Å; I281-N284 HydrophobicContact CG2-CB 4.45Å
285H93.5Very high91.2Very high1 Ų154.8 Ų54.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-97.799.4-175.4-57.6123.5000110.7S270 L271 M287 I290 Y306 A308 D310 H318S270-H285 CarbonylContact C-O 3.54Å; S270-H285 VanDerWaalsContact CA-O 3.28Å; S270-H285 WeakPolarHBondContact CA-O 3.4Å; S270-H285 VanDerWaalsContact CB-O 3.32Å; S270-H285 WeakPolarHBondContact CB-O 3.31Å; L271-H285 HydrophobicContact CB-CB 4.39Å; L271-H285 PolarHBondContact N-O 3.4Å; L271-H285 PolarHBondContact O-N 3.1Å; H285-M287 PolarHBondContact O-N 3.16Å; H285-I290 HydrophobicContact CB-CD1 4.02Å; H285-I290 HydrophobicContact CB-CG1 4Å; H285-Y306 AromaticContact CE1-CE2 3.92Å; H285-Y306 PolarHBondContact CE1-OH 3.29Å; H285-Y306 VanDerWaalsContact CE1-OH 3.28Å; H285-Y306 AromaticContact ND1-CE2 3.4Å; H285-Y306 WeakPolarHBondContact ND1-CE2 3.09Å; H285-Y306 AromaticContact ND1-CZ 3.67Å; H285-Y306 PolarHBondContact ND1-OH 2.85Å; H285-Y306 VanDerWaalsContact ND1-OH 3.08Å; H285-A308 HydrophobicContact CB-CB 4Å; H285-D310 IonicContact CD2-OD1 3.07Å; H285-D310 PolarHBondContact CD2-OD1 3.43Å; H285-D310 IonicContact CD2-OD2 3.95Å; H285-D310 IonicContact NE2-OD1 2.76Å; H285-D310 PolarHBondContact NE2-OD1 2.89Å; H285-D310 IonicContact NE2-OD2 3.36Å; H285-D310 PolarHBondContact NE2-OD2 3.2Å; H285-H318 AromaticContact CE1-CD2 3.79Å; H285-H318 AromaticContact CE1-CE1 3.45Å; H285-H318 PolarHBondContact CE1-CE1 2.9Å; H285-H318 VanDerWaalsContact CE1-CE1 3.45Å; H285-H318 AromaticContact CE1-CG 3.94Å; H285-H318 AromaticContact CE1-ND1 3.74Å; H285-H318 AromaticContact CE1-NE2 3.51Å; H285-H318 AromaticContact NE2-CE1 3.48Å; H285-H318 PolarHBondContact NE2-CE1 2.87Å; H285-H318 AromaticContact NE2-NE2 3.37Å; H285-H318 PolarHBondContact NE2-NE2 3.19Å
286H91.9Very high90.9Very high72 Ų7255.5 Ų55.533%0.33330%0.303SS..EExtended strand (participates in β ladder)trans-54.7136.1171.5-168.3-132.7000110.9C269 Q288 S289 R341C269-H286 PolarHBondContact O-CD2 3.35Å; H286-Q288 PolarHBondContact CE1-OE1 2.81Å; H286-Q288 PolarHBondContact ND1-OE1 3.28Å; H286-Q288 PolarHBondContact O-N 3.1Å; H286-S289 PolarHBondContact O-N 3.19Å; H286-S289 PolarHBondContact O-OG 3.06Å; H286-R341 PolarHBondContact CD2-NH1 3.44Å; H286-R341 PolarHBondContact CE1-NH2 3.08Å; H286-R341 PolarHBondContact NE2-NH1 2.89Å; H286-R341 PolarHBondContact NE2-NH2 3.24Å
287M89.8Confident90.7Very high4 Ų453.2 Ų53.22%0.0229%0.291CS..G310 helixtrans-52.7-35.7-174.3-71.1-67128.400113.5S267 T268 C269 L271 H285 S289 I290 A337 F338S267-M287 WeakPolarHBondContact O-CE 3.46Å; T268-M287 VanDerWaalsContact O-CG 3.29Å; T268-M287 WeakPolarHBondContact O-CG 3.47Å; C269-M287 PolarHBondContact O-N 2.93Å; L271-M287 HydrophobicContact CB-CE 4.47Å; L271-M287 HydrophobicContact CD2-CE 3.63Å; L271-M287 HydrophobicContact CG-CE 3.62Å; H285-M287 PolarHBondContact O-N 3.16Å; M287-S289 PolarHBondContact O-N 3.31Å; M287-I290 HydrophobicContact CE-CD1 4.05Å; M287-I290 PolarHBondContact O-N 3.03Å; M287-I290 HydrophobicContact SD-CD1 4.27Å; M287-A337 HydrophobicContact SD-CB 4.44Å; M287-F338 HydrophobicContact SD-CD1 4.47Å; M287-F338 HydrophobicContact SD-CE1 4.43Å
288Q88.9Confident90.3Very high121 Ų12152.6 Ų52.657%0.56530%0.295SS*.G310 helixtrans-64.2-22.7177.1-63.4172.8-12.100113.9H286 D352H286-Q288 PolarHBondContact CE1-OE1 2.81Å; H286-Q288 PolarHBondContact ND1-OE1 3.28Å; H286-Q288 PolarHBondContact O-N 3.1Å; Q288-D352 PolarHBondContact NE2-OD2 3.41Å
289S91.4Very high90.1Very high33 Ų3355.7 Ų55.723%0.23131%0.311CS..G310 helixtrans-86.6-16.1177.496.40000113H286 M287 A308 K309H286-S289 PolarHBondContact O-N 3.19Å; H286-S289 PolarHBondContact O-OG 3.06Å; M287-S289 PolarHBondContact O-N 3.31Å; S289-A308 CarbonylContact O-C 3.59Å; S289-K309 WeakPolarHBondContact CB-O 3.47Å; S289-K309 PolarHBondContact O-N 2.78Å; S289-K309 VanDerWaalsContact O-N 3.07Å; S289-K309 PolarHBondContact OG-N 2.91Å; S289-K309 PolarHBondContact OG-O 3.02Å; S289-K309 VanDerWaalsContact OG-O 3.14Å
290I92.1Very high90.1Very high11 Ų1150.3 Ų50.36%0.05629%0.289CS..  trans-84.8124.5179.7-52172.6000109.2L271 H285 M287 Y306 A308 F338L271-I290 HydrophobicContact CB-CD1 4.39Å; L271-I290 HydrophobicContact CD1-CD1 3.63Å; L271-I290 HydrophobicContact CG-CD1 3.68Å; H285-I290 HydrophobicContact CB-CD1 4.02Å; H285-I290 HydrophobicContact CB-CG1 4Å; M287-I290 HydrophobicContact CE-CD1 4.05Å; M287-I290 PolarHBondContact O-N 3.03Å; M287-I290 HydrophobicContact SD-CD1 4.27Å; I290-Y306 HydrophobicContact CG2-CD2 4.25Å; I290-A308 HydrophobicContact CG1-CB 4.11Å; I290-F338 HydrophobicContact CB-CE1 4.43Å; I290-F338 HydrophobicContact CB-CZ 3.72Å; I290-F338 HydrophobicContact CG2-CE2 4.18Å; I290-F338 HydrophobicContact CG2-CZ 3.65Å
291S90.3Very high90Very high36 Ų3649.3 Ų49.325%0.25229%0.289SS..  trans-112.7-16.4-166.364.10000114.9M206 V307M206-S291 WeakPolarHBondContact CG-OG 3.38Å; S291-V307 PolarHBondContact N-O 3.41Å; S291-V307 PolarHBondContact OG-O 2.81Å
292F93.3Very high90Very high23 Ų2347.8 Ų47.810%0.10128%0.282CS..EExtended strand (participates in β ladder)trans-166.2151176.4-173-114.4000109.4M206 F211 R214 T218 Y306 V307M206-F292 HydrophobicContact CB-CB 4.35Å; M206-F292 HydrophobicContact CE-CB 3.66Å; M206-F292 HydrophobicContact CE-CD1 3.4Å; M206-F292 VanDerWaalsContact CE-CD1 3.4Å; M206-F292 HydrophobicContact CE-CE1 4.14Å; M206-F292 HydrophobicContact CE-CG 3.64Å; M206-F292 HydrophobicContact CG-CB 3.93Å; F211-F292 HydrophobicContact CD2-CE2 4.22Å; F211-F292 HydrophobicContact CE2-CE2 4.08Å; F211-F292 HydrophobicContact CE2-CZ 4.38Å; R214-F292 HydrophobicContact CB-CD1 4.17Å; R214-F292 HydrophobicContact CB-CD2 4.26Å; R214-F292 HydrophobicContact CB-CE1 3.75Å; R214-F292 HydrophobicContact CB-CE2 3.86Å; R214-F292 HydrophobicContact CB-CG 4.4Å; R214-F292 HydrophobicContact CB-CZ 3.58Å; R214-F292 HydrophobicContact CG-CE2 4.49Å; T218-F292 HydrophobicContact CG2-CD1 3.79Å; T218-F292 HydrophobicContact CG2-CE1 3.79Å; F292-Y306 CarbonylContact O-C 3.6Å; F292-Y306 WeakPolarHBondContact O-CA 3.33Å; F292-V307 HydrophobicContact CB-CB 4.4Å; F292-V307 HydrophobicContact CB-CG2 4.4Å; F292-V307 PolarHBondContact O-N 3.07Å
293A93.9Very high90.2Very high27 Ų2746.5 Ų46.522%0.22328%0.275CS..EExtended strand (participates in β ladder)trans-143.1144.6168.700000109.5A305 I331 I334A293-A305 CarbonylContact C-O 3.58Å; A293-A305 WeakPolarHBondContact CA-O 3.28Å; A293-I331 HydrophobicContact CB-CD1 3.65Å; A293-I334 HydrophobicContact CB-CG2 4.17Å
294S94.2Very high90.5Very high18 Ų1846 Ų4613%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-151.7145.3-178.1-175.60000110.4A305S294-A305 PolarHBondContact N-O 2.79Å; S294-A305 PolarHBondContact O-N 2.84Å; S294-A305 VanDerWaalsContact O-O 3.07Å
295G91.6Very high90.7Very high28 Ų2841.7 Ų41.729%0.28925%0.248SC..EExtended strand (participates in β ladder)trans-70.5170.2158.400000111.6Y303G295-Y303 CarbonylContact C-O 3.45Å
296G87.5Confident90.8Very high23 Ų2341.6 Ų41.624%0.23725%0.248CC..  trans-75.4-160.1169.200000114Y303G296-Y303 PolarHBondContact N-O 3Å
297D85.9Confident90.9Very high21 Ų2138.2 Ų38.211%0.11223%0.232CC..  trans-88.6169.1-175.7-69.13.7000111.4R219 D299 T300 T301R219-D297 WeakPolarHBondContact CD-OD1 3.39Å; R219-D297 WeakPolarHBondContact CD-OD2 3.39Å; R219-D297 WeakPolarHBondContact CG-OD1 3.33Å; R219-D297 WeakPolarHBondContact CG-OD2 3.47Å; R219-D297 IonicContact CZ-OD1 2.7Å; R219-D297 IonicContact CZ-OD2 2.87Å; R219-D297 IonicContact NE-OD1 2.92Å; R219-D297 PolarHBondContact NE-OD1 3.42Å; R219-D297 IonicContact NE-OD2 2.66Å; R219-D297 PolarHBondContact NE-OD2 2.91Å; R219-D297 IonicContact NH1-OD1 2.84Å; R219-D297 PolarHBondContact NH1-OD1 3.01Å; R219-D297 IonicContact NH1-OD2 3.87Å; R219-D297 PolarHBondContact NH1-OD2 3.21Å; R219-D297 IonicContact NH2-OD1 3.93Å; R219-D297 PolarHBondContact NH2-OD1 3.3Å; R219-D297 VanDerWaalsContact NH2-OD1 3.08Å; R219-D297 IonicContact NH2-OD2 3.04Å; D297-D299 HydrophobicContact CB-CB 4.48Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 VanDerWaalsContact O-N 3.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.47Å; D297-T300 PolarHBondContact N-OG1 3.27Å; D297-T300 CarbonylContact O-C 3.53Å; D297-T300 PolarHBondContact O-N 3.1Å; D297-T301 WeakPolarHBondContact O-CA 3.25Å; D297-T301 VanDerWaalsContact O-CG2 3.25Å; D297-T301 WeakPolarHBondContact O-CG2 3.39Å; D297-T301 PolarHBondContact O-N 3Å
298P83.3Confident91.1Very high116 Ų11638 Ų3875%0.75323%0.231SC*.THydrogen-bonded Turntrans-54.9-22162.9-26.136.3000114.1
299D84.9Confident91.2Very high152 Ų15238 Ų3881%0.81323%0.229SC*.THydrogen-bonded Turntrans-91.3-12.1173.5-61.1-64.5000113.5D297D297-D299 HydrophobicContact CB-CB 4.48Å; D297-D299 PolarHBondContact O-N 3.5Å; D297-D299 VanDerWaalsContact O-N 3.1Å
300T87.3Confident90.7Very high36 Ų3637.1 Ų37.122%0.22122%0.222CC..SBendtrans-137.441.2-177.359.30000111.7D297 D302 Y303D297-T300 WeakPolarHBondContact CB-OG1 3.47Å; D297-T300 PolarHBondContact N-OG1 3.27Å; D297-T300 CarbonylContact O-C 3.53Å; D297-T300 PolarHBondContact O-N 3.1Å; T300-D302 PolarHBondContact O-N 3.36Å; T300-D302 VanDerWaalsContact O-N 3.16Å; T300-Y303 PolarHBondContact O-N 3.19Å
301T88.7Confident90Very high83 Ų8342.5 Ų42.551%0.50926%0.257SS..THydrogen-bonded Turntrans-60.7-28.3-172.3470000114.1D297 Y303 A327D297-T301 WeakPolarHBondContact O-CA 3.25Å; D297-T301 VanDerWaalsContact O-CG2 3.25Å; D297-T301 WeakPolarHBondContact O-CG2 3.39Å; D297-T301 PolarHBondContact O-N 3Å; T301-Y303 PolarHBondContact O-N 3.03Å; T301-A327 WeakPolarHBondContact O-CB 3.26Å
302D92Very high89.3Confident62 Ų6246.5 Ų46.533%0.33228%0.28SS..THydrogen-bonded Turntrans-74.5-4.1179.5-57-66.3000113.2T300 C322T300-D302 PolarHBondContact O-N 3.36Å; T300-D302 VanDerWaalsContact O-N 3.16Å; D302-C322 WeakPolarHBondContact O-CA 3.29Å; D302-C322 WeakPolarHBondContact O-CB 3.4Å; D302-C322 PolarHBondContact O-N 3.4Å
303Y93.2Very high88.3Confident8 Ų847.3 Ų47.33%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-100.9135.2-177.4-65.6-96.9000112.4M197 I222 C226 G295 G296 T300 T301 I319 L320 E321M197-Y303 HydrophobicContact CG-CD1 4.43Å; M197-Y303 HydrophobicContact CG-CE1 4.09Å; M197-Y303 HydrophobicContact SD-CE1 4.14Å; I222-Y303 HydrophobicContact CG2-CD1 4.05Å; I222-Y303 HydrophobicContact CG2-CD2 4.5Å; I222-Y303 HydrophobicContact CG2-CG 3.9Å; C226-Y303 WeakPolarHBondContact SG-CE1 3.29Å; C226-Y303 VanDerWaalsContact SG-CZ 3.56Å; G295-Y303 CarbonylContact C-O 3.45Å; G296-Y303 PolarHBondContact N-O 3Å; T300-Y303 PolarHBondContact O-N 3.19Å; T301-Y303 PolarHBondContact O-N 3.03Å; Y303-I319 HydrophobicContact CD1-CG2 4.12Å; Y303-L320 CarbonylContact C-O 3.53Å; Y303-L320 WeakPolarHBondContact CA-O 3.36Å; Y303-E321 HydrophobicContact CD1-CB 4.25Å; Y303-E321 HydrophobicContact CE1-CB 3.92Å; Y303-E321 HydrophobicContact CE1-CG 4Å; Y303-E321 PolarHBondContact OH-OE1 3.34Å
304V94.8Very high87.7Confident0 Ų051.4 Ų51.40%030%0.3CS..EExtended strand (participates in β ladder)trans-119.1133171.3-177.30000109.2I319 L320 A327 V330 I331 I334V304-I319 WeakPolarHBondContact O-CA 3.39Å; V304-L320 HydrophobicContact CB-CB 4.48Å; V304-L320 PolarHBondContact N-O 2.88Å; V304-L320 PolarHBondContact O-N 2.96Å; V304-A327 HydrophobicContact CG2-CB 3.7Å; V304-A327 WeakPolarHBondContact CG2-O 3.32Å; V304-V330 HydrophobicContact CG1-CG1 4.29Å; V304-V330 HydrophobicContact CG2-CB 4.44Å; V304-V330 HydrophobicContact CG2-CG1 4.3Å; V304-I331 HydrophobicContact CG1-CD1 4.3Å; V304-I334 HydrophobicContact CG1-CD1 4.48Å
305A95.4Very high87.6Confident0 Ų052.6 Ų52.60%030%0.302CS..EExtended strand (participates in β ladder)trans-123.9135.8178.300000111.3T218 I222 A293 S294 H318 I319T218-A305 HydrophobicContact CG2-CB 4.17Å; I222-A305 HydrophobicContact CD1-CB 3.98Å; I222-A305 HydrophobicContact CG1-CB 4.12Å; A293-A305 CarbonylContact C-O 3.58Å; A293-A305 WeakPolarHBondContact CA-O 3.28Å; S294-A305 PolarHBondContact N-O 2.79Å; S294-A305 PolarHBondContact O-N 2.84Å; S294-A305 VanDerWaalsContact O-O 3.07Å; A305-H318 WeakPolarHBondContact CA-O 3.48Å; A305-I319 HydrophobicContact CB-CG1 4Å
306Y95.4Very high87.7Confident0 Ų051.3 Ų51.30%029%0.288CS..EExtended strand (participates in β ladder)trans-138.9149.2173.669-86.3000111.4L271 L273 H285 I290 F292 A308 C317 H318 L320L271-Y306 HydrophobicContact CD1-CD1 4.39Å; L271-Y306 HydrophobicContact CD1-CD2 4.14Å; L271-Y306 HydrophobicContact CD1-CE1 4.32Å; L271-Y306 HydrophobicContact CD1-CE2 4.07Å; L271-Y306 HydrophobicContact CD1-CG 4.31Å; L273-Y306 VanDerWaalsContact CD1-OH 3.31Å; L273-Y306 WeakPolarHBondContact CD1-OH 3.39Å; L273-Y306 WeakPolarHBondContact CD2-OH 2.96Å; H285-Y306 AromaticContact CE1-CE2 3.92Å; H285-Y306 PolarHBondContact CE1-OH 3.29Å; H285-Y306 VanDerWaalsContact CE1-OH 3.28Å; H285-Y306 AromaticContact ND1-CE2 3.4Å; H285-Y306 WeakPolarHBondContact ND1-CE2 3.09Å; H285-Y306 AromaticContact ND1-CZ 3.67Å; H285-Y306 PolarHBondContact ND1-OH 2.85Å; H285-Y306 VanDerWaalsContact ND1-OH 3.08Å; I290-Y306 HydrophobicContact CG2-CD2 4.25Å; F292-Y306 CarbonylContact O-C 3.6Å; F292-Y306 WeakPolarHBondContact O-CA 3.33Å; Y306-A308 HydrophobicContact CD2-CB 4.14Å; Y306-A308 HydrophobicContact CE2-CB 3.97Å; Y306-C317 CarbonylContact O-C 3.58Å; Y306-C317 WeakPolarHBondContact O-CA 3.37Å; Y306-H318 HydrophobicContact CD1-CB 4.28Å; Y306-H318 HydrophobicContact CD2-CB 4.47Å; Y306-H318 HydrophobicContact CE1-CB 3.66Å; Y306-H318 HydrophobicContact CE2-CB 3.87Å; Y306-H318 AromaticContact CE2-CD2 3.86Å; Y306-H318 VanDerWaalsContact CZ-CB 3.41Å; Y306-H318 AromaticContact CZ-CG 3.87Å; Y306-H318 PolarHBondContact N-O 3.07Å; Y306-H318 PolarHBondContact O-N 2.76Å; Y306-H318 WeakPolarHBondContact OH-CB 3.33Å; Y306-L320 HydrophobicContact CD1-CD1 4.46Å; Y306-L320 HydrophobicContact CE1-CD1 4.02Å; Y306-L320 HydrophobicContact CE1-CG 4.32Å
307V94.7Very high88Confident0 Ų050.2 Ų50.20%028%0.277CS..EExtended strand (participates in β ladder)trans-112.399.2-173.1-173.60000110.2V202 M206 T218 S291 F292 R315 A316 C317V202-V307 HydrophobicContact CG2-CG1 4.11Å; M206-V307 HydrophobicContact CE-CG2 3.95Å; M206-V307 HydrophobicContact CG-CB 4.09Å; M206-V307 HydrophobicContact CG-CG1 3.9Å; M206-V307 HydrophobicContact CG-CG2 4.34Å; M206-V307 HydrophobicContact SD-CB 4.41Å; M206-V307 HydrophobicContact SD-CG1 4.18Å; M206-V307 HydrophobicContact SD-CG2 4.06Å; T218-V307 HydrophobicContact CG2-CG2 4.4Å; S291-V307 PolarHBondContact N-O 3.41Å; S291-V307 PolarHBondContact OG-O 2.81Å; F292-V307 HydrophobicContact CB-CB 4.4Å; F292-V307 HydrophobicContact CB-CG2 4.4Å; F292-V307 PolarHBondContact O-N 3.07Å; V307-R315 HydrophobicContact CG1-CG 3.94Å; V307-A316 CarbonylContact C-O 3.49Å; V307-A316 WeakPolarHBondContact CA-O 3.34Å; V307-C317 HydrophobicContact CG2-CB 3.98Å
308A94.1Very high88.4Confident0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-103.1169.4-178.600000112.3H285 S289 I290 Y306 R315 A316H285-A308 HydrophobicContact CB-CB 4Å; S289-A308 CarbonylContact O-C 3.59Å; I290-A308 HydrophobicContact CG1-CB 4.11Å; Y306-A308 HydrophobicContact CD2-CB 4.14Å; Y306-A308 HydrophobicContact CE2-CB 3.97Å; A308-R315 WeakPolarHBondContact O-CA 3.34Å; A308-A316 PolarHBondContact N-O 3.12Å; A308-A316 PolarHBondContact O-N 3.45Å
309K90.8Very high88.9Confident122 Ų12243.7 Ų43.753%0.5324%0.236SC..EExtended strand (participates in β ladder)trans-113.2115.7163.8-170.3-170.7176.5-170.30110S289 Q314S289-K309 WeakPolarHBondContact CB-O 3.47Å; S289-K309 PolarHBondContact O-N 2.78Å; S289-K309 VanDerWaalsContact O-N 3.07Å; S289-K309 PolarHBondContact OG-N 2.91Å; S289-K309 PolarHBondContact OG-O 3.02Å; S289-K309 VanDerWaalsContact OG-O 3.14Å; K309-Q314 CarbonylContact C-O 3.57Å; K309-Q314 WeakPolarHBondContact CA-O 3.1Å
310D81.9Confident89.4Confident14 Ų1436.4 Ų36.48%0.07520%0.197CC..  trans-93.2155.9168.3-85.9-38.7000111.3H285 V312 N313 Q314 H318H285-D310 IonicContact CD2-OD1 3.07Å; H285-D310 PolarHBondContact CD2-OD1 3.43Å; H285-D310 IonicContact CD2-OD2 3.95Å; H285-D310 IonicContact NE2-OD1 2.76Å; H285-D310 PolarHBondContact NE2-OD1 2.89Å; H285-D310 IonicContact NE2-OD2 3.36Å; H285-D310 PolarHBondContact NE2-OD2 3.2Å; D310-V312 VanDerWaalsContact C-N 3.25Å; D310-N313 HydrophobicContact CB-CB 4Å; D310-N313 PolarHBondContact OD2-ND2 3.16Å; D310-Q314 PolarHBondContact N-O 3.18Å; D310-Q314 WeakPolarHBondContact O-CA 3.38Å; D310-Q314 PolarHBondContact O-N 3.15Å; D310-H318 IonicContact OD2-CE1 3.29Å; D310-H318 PolarHBondContact OD2-CE1 3.28Å; D310-H318 VanDerWaalsContact OD2-CE1 3.28Å; D310-H318 IonicContact OD2-NE2 3.89Å
311P75.9Confident89.7Confident123 Ų12334.9 Ų34.980%0.79919%0.187SC*.SBendtrans-63.4-32.5161-19.532.7000112.6
312V76.4Confident89.9Confident120 Ų12031 Ų3173%0.72716%0.163SC*.SBendtrans-90.2-55.3-172.9178.50000111.9D310 Q314D310-V312 VanDerWaalsContact C-N 3.25Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.29Å
313N72.1Confident89.5Confident40 Ų4031.4 Ų31.421%0.21416%0.163CC..SBendtrans-85.47.5-176.2-57.8-66.4000113.6N254 D310 R315 A316N254-N313 PolarHBondContact ND2-OD1 2.75Å; D310-N313 HydrophobicContact CB-CB 4Å; D310-N313 PolarHBondContact OD2-ND2 3.16Å; N313-R315 PolarHBondContact O-N 3.31Å; N313-A316 HydrophobicContact CB-CB 3.93Å
314Q81.5Confident89Confident113 Ų11336.1 Ų36.153%0.52820%0.197SC..SBendtrans47.5-131.7-164.1-68.6-68.6-10.300110.3K309 D310 V312K309-Q314 CarbonylContact C-O 3.57Å; K309-Q314 WeakPolarHBondContact CA-O 3.1Å; D310-Q314 PolarHBondContact N-O 3.18Å; D310-Q314 WeakPolarHBondContact O-CA 3.38Å; D310-Q314 PolarHBondContact O-N 3.15Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.29Å
315R91.8Very high88.4Confident43 Ų4338 Ų3816%0.16222%0.217CC..EExtended strand (participates in β ladder)trans-91.7116.5173.1178.5167.5147-89.8-3.1110.2V202 Q204 M206 V307 A308 N313V202-R315 PolarHBondContact N-O 2.77Å; V202-R315 PolarHBondContact O-NH1 2.97Å; Q204-R315 VanDerWaalsContact C-NH1 3.26Å; Q204-R315 PolarHBondContact O-NH1 3.11Å; Q204-R315 PolarHBondContact O-NH2 2.95Å; M206-R315 PolarHBondContact SD-NH2 3.24Å; V307-R315 HydrophobicContact CG1-CG 3.94Å; A308-R315 WeakPolarHBondContact O-CA 3.34Å; N313-R315 PolarHBondContact O-N 3.31Å
316A93.8Very high88.1Confident1 Ų141.7 Ų41.71%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-132.8150.9-17600000112.2C199 I200 V307 A308 N313 H318C199-A316 HydrophobicContact CB-CB 4.14Å; I200-A316 CarbonylContact O-C 3.54Å; I200-A316 WeakPolarHBondContact O-CA 3.11Å; V307-A316 CarbonylContact C-O 3.49Å; V307-A316 WeakPolarHBondContact CA-O 3.34Å; A308-A316 PolarHBondContact N-O 3.12Å; A308-A316 PolarHBondContact O-N 3.45Å; N313-A316 HydrophobicContact CB-CB 3.93Å; A316-H318 PolarHBondContact O-CD2 2.95Å
317C94.3Very high87.9Confident0 Ų041.9 Ų41.90%024%0.236CC..EExtended strand (participates in β ladder)trans-92.1110.1168.8-174.20000108.5C199 I200 V202 Y306 V307C199-C317 CarbonylContact C-O 3.6Å; C199-C317 WeakPolarHBondContact CA-O 3.36Å; C199-C317 VanDerWaalsContact CB-O 3.27Å; C199-C317 WeakPolarHBondContact CB-O 3.5Å; I200-C317 PolarHBondContact N-O 2.81Å; I200-C317 PolarHBondContact O-N 2.86Å; V202-C317 HydrophobicContact CG2-CB 3.76Å; Y306-C317 CarbonylContact O-C 3.58Å; Y306-C317 WeakPolarHBondContact O-CA 3.37Å; V307-C317 HydrophobicContact CG2-CB 3.98Å
318H94.2Very high87.8Confident0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-91.7139.3177.1-59.3-96.9000109.4Y196 C199 H285 A305 Y306 D310 A316Y196-H318 HydrophobicContact CE2-CB 4.22Å; Y196-H318 AromaticContact CZ-ND1 3.94Å; Y196-H318 PolarHBondContact OH-ND1 3.46Å; C199-H318 HydrophobicContact CB-CB 4.33Å; H285-H318 AromaticContact CE1-CD2 3.79Å; H285-H318 AromaticContact CE1-CE1 3.45Å; H285-H318 PolarHBondContact CE1-CE1 2.9Å; H285-H318 VanDerWaalsContact CE1-CE1 3.45Å; H285-H318 AromaticContact CE1-CG 3.94Å; H285-H318 AromaticContact CE1-ND1 3.74Å; H285-H318 AromaticContact CE1-NE2 3.51Å; H285-H318 AromaticContact NE2-CE1 3.48Å; H285-H318 PolarHBondContact NE2-CE1 2.87Å; H285-H318 AromaticContact NE2-NE2 3.37Å; H285-H318 PolarHBondContact NE2-NE2 3.19Å; A305-H318 WeakPolarHBondContact CA-O 3.48Å; Y306-H318 HydrophobicContact CD1-CB 4.28Å; Y306-H318 HydrophobicContact CD2-CB 4.47Å; Y306-H318 HydrophobicContact CE1-CB 3.66Å; Y306-H318 HydrophobicContact CE2-CB 3.87Å; Y306-H318 AromaticContact CE2-CD2 3.86Å; Y306-H318 VanDerWaalsContact CZ-CB 3.41Å; Y306-H318 AromaticContact CZ-CG 3.87Å; Y306-H318 PolarHBondContact N-O 3.07Å; Y306-H318 PolarHBondContact O-N 2.76Å; Y306-H318 WeakPolarHBondContact OH-CB 3.33Å; D310-H318 IonicContact OD2-CE1 3.29Å; D310-H318 PolarHBondContact OD2-CE1 3.28Å; D310-H318 VanDerWaalsContact OD2-CE1 3.28Å; D310-H318 IonicContact OD2-NE2 3.89Å; A316-H318 PolarHBondContact O-CD2 2.95Å
319I94.4Very high87.7Confident0 Ų050.8 Ų50.80%028%0.28CS..EExtended strand (participates in β ladder)trans-127.2134.6-172.4-67.9152000110.3M197 G198 A221 I222 L225 Y303 V304 A305M197-I319 HydrophobicContact CB-CB 4.24Å; M197-I319 HydrophobicContact CB-CG2 3.93Å; M197-I319 HydrophobicContact CG-CG2 4.06Å; M197-I319 PolarHBondContact N-O 3.13Å; G198-I319 PolarHBondContact O-N 3.27Å; G198-I319 VanDerWaalsContact O-N 3.11Å; A221-I319 HydrophobicContact CB-CD1 3.99Å; A221-I319 WeakPolarHBondContact O-CD1 3.34Å; I222-I319 HydrophobicContact CG1-CD1 4.19Å; I222-I319 HydrophobicContact CG1-CG1 4.05Å; I222-I319 HydrophobicContact CG1-CG2 4.08Å; L225-I319 HydrophobicContact CB-CD1 4.1Å; L225-I319 HydrophobicContact CD2-CB 3.84Å; L225-I319 HydrophobicContact CD2-CD1 3.68Å; L225-I319 HydrophobicContact CD2-CG1 4.34Å; L225-I319 HydrophobicContact CD2-CG2 4.34Å; Y303-I319 HydrophobicContact CD1-CG2 4.12Å; V304-I319 WeakPolarHBondContact O-CA 3.39Å; A305-I319 HydrophobicContact CB-CG1 4Å
320L94.6Very high87.8Confident0 Ų045 Ų450%026%0.255CS..EExtended strand (participates in β ladder)trans-125130.4-174.1-55.3176.2000110V194 R195 Y196 I262 L264 L273 Y303 V304 Y306V194-L320 HydrophobicContact CG2-CB 4.41Å; V194-L320 HydrophobicContact CG2-CD1 4.34Å; V194-L320 HydrophobicContact CG2-CD2 4.12Å; R195-L320 WeakPolarHBondContact O-CA 3.36Å; Y196-L320 HydrophobicContact CD2-CD2 3.75Å; I262-L320 HydrophobicContact CD1-CD2 4Å; L264-L320 HydrophobicContact CD2-CD1 3.87Å; L273-L320 HydrophobicContact CD2-CD2 4.48Å; Y303-L320 CarbonylContact C-O 3.53Å; Y303-L320 WeakPolarHBondContact CA-O 3.36Å; V304-L320 HydrophobicContact CB-CB 4.48Å; V304-L320 PolarHBondContact N-O 2.88Å; V304-L320 PolarHBondContact O-N 2.96Å; Y306-L320 HydrophobicContact CD1-CD1 4.46Å; Y306-L320 HydrophobicContact CE1-CD1 4.02Å; Y306-L320 HydrophobicContact CE1-CG 4.32Å
321E93.5Very high88.4Confident4 Ų445.8 Ų45.82%0.01926%0.259CS..EExtended strand (participates in β ladder)trans-96.5101171.8-175.8-170.5-144.600108.7R195 M197 N233 Y303 H323R195-E321 HydrophobicContact CB-CB 4.25Å; R195-E321 WeakPolarHBondContact CD-OE2 3.38Å; R195-E321 IonicContact CZ-OE2 3.59Å; R195-E321 PolarHBondContact N-O 3.35Å; R195-E321 IonicContact NE-OE2 3.83Å; R195-E321 IonicContact NH1-OE1 3.73Å; R195-E321 IonicContact NH1-OE2 3.24Å; R195-E321 PolarHBondContact NH1-OE2 3.1Å; R195-E321 PolarHBondContact O-N 3.25Å; M197-E321 HydrophobicContact CE-CB 3.9Å; M197-E321 WeakPolarHBondContact CE-OE2 3.25Å; M197-E321 HydrophobicContact CG-CB 4.07Å; M197-E321 HydrophobicContact SD-CB 4.17Å; N233-E321 PolarHBondContact N-OE1 2.95Å; Y303-E321 HydrophobicContact CD1-CB 4.25Å; Y303-E321 HydrophobicContact CE1-CB 3.92Å; Y303-E321 HydrophobicContact CE1-CG 4Å; Y303-E321 PolarHBondContact OH-OE1 3.34Å; E321-H323 VanDerWaalsContact CD-CE1 3.48Å; E321-H323 PolarHBondContact O-ND1 3.1Å; E321-H323 IonicContact OE2-CE1 2.89Å; E321-H323 PolarHBondContact OE2-CE1 3.45Å; E321-H323 VanDerWaalsContact OE2-CE1 3.29Å; E321-H323 IonicContact OE2-NE2 3.08Å
322C92.3Very high89.2Confident0 Ų043.4 Ų43.40%024%0.24CC..  trans-10092.5-174.2-59.20000109.7V194 D302 M326 A327V194-C322 HydrophobicContact CG1-CB 4.22Å; V194-C322 VanDerWaalsContact CG1-SG 3.51Å; D302-C322 WeakPolarHBondContact O-CA 3.29Å; D302-C322 WeakPolarHBondContact O-CB 3.4Å; D302-C322 PolarHBondContact O-N 3.4Å; C322-M326 HydrophobicContact CB-CB 4.43Å; C322-A327 HydrophobicContact CB-CB 3.89Å
323H85.1Confident90.1Very high72 Ų7237.8 Ų37.833%0.33321%0.205SC..G310 helixtrans-64.7161.3-175.3-63.461.3000111.9R195 E321 G325 M326R195-H323 PolarHBondContact NH1-CE1 3.4Å; R195-H323 VanDerWaalsContact NH1-CE1 3.32Å; R195-H323 PolarHBondContact NH1-NE2 2.82Å; E321-H323 VanDerWaalsContact CD-CE1 3.48Å; E321-H323 PolarHBondContact O-ND1 3.1Å; E321-H323 IonicContact OE2-CE1 2.89Å; E321-H323 PolarHBondContact OE2-CE1 3.45Å; E321-H323 VanDerWaalsContact OE2-CE1 3.29Å; E321-H323 IonicContact OE2-NE2 3.08Å; H323-G325 VanDerWaalsContact C-N 3.33Å; H323-G325 PolarHBondContact O-N 3.06Å; H323-M326 WeakPolarHBondContact O-CG 3.3Å; H323-M326 PolarHBondContact O-N 3.06Å
324S82.1Confident91.1Very high106 Ų10635.9 Ų35.974%0.74120%0.196SC*.G310 helixtrans59.531.1177.2580000115.8M326S324-M326 PolarHBondContact O-N 3.25Å
325G82Confident91.6Very high40 Ų4032.4 Ų32.441%0.41219%0.19SC..G310 helixtrans76-0.217700000115.3H323 A327 Q328H323-G325 VanDerWaalsContact C-N 3.33Å; H323-G325 PolarHBondContact O-N 3.06Å; G325-A327 PolarHBondContact O-N 3.42Å; G325-Q328 PolarHBondContact O-N 3.03Å
326M89.6Confident91.6Very high77 Ų7733.2 Ų33.238%0.37920%0.195SC..Hα-helixtrans-59.1-14.4178.4-62.5-7192.500113.5C322 H323 S324 Q328 D329 V330C322-M326 HydrophobicContact CB-CB 4.43Å; H323-M326 WeakPolarHBondContact O-CG 3.3Å; H323-M326 PolarHBondContact O-N 3.06Å; S324-M326 PolarHBondContact O-N 3.25Å; M326-Q328 PolarHBondContact O-N 2.9Å; M326-D329 WeakPolarHBondContact CE-OD2 3.3Å; M326-D329 PolarHBondContact O-N 3.43Å; M326-V330 WeakPolarHBondContact O-CB 3.41Å; M326-V330 WeakPolarHBondContact O-CG2 3.31Å; M326-V330 PolarHBondContact O-N 2.95Å
327A91.5Very high91.5Very high4 Ų433.1 Ų33.13%0.03320%0.195CC..Hα-helixtrans-50.8-41.9171.400000113T301 V304 C322 G325 I331T301-A327 WeakPolarHBondContact O-CB 3.26Å; V304-A327 HydrophobicContact CG2-CB 3.7Å; V304-A327 WeakPolarHBondContact CG2-O 3.32Å; C322-A327 HydrophobicContact CB-CB 3.89Å; G325-A327 PolarHBondContact O-N 3.42Å; A327-I331 WeakPolarHBondContact O-CG2 3.5Å; A327-I331 PolarHBondContact O-N 2.65Å
328Q91.4Very high91.3Very high115 Ų11536.3 Ų36.354%0.53721%0.209SC..Hα-helixtrans-69.5-40.3-179.6-171.661.568.100111.7G325 M326 I331 N332G325-Q328 PolarHBondContact O-N 3.03Å; M326-Q328 PolarHBondContact O-N 2.9Å; Q328-I331 WeakPolarHBondContact O-CG2 3.25Å; Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 VanDerWaalsContact O-CB 3.25Å; Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3Å; Q328-N332 PolarHBondContact O-OD1 2.99Å
329D92.4Very high91.1Very high72 Ų7241.1 Ų41.139%0.38523%0.231SC..Hα-helixtrans-70.8-37.7178.1-65.1-38.9000111.6M326 T333M326-D329 WeakPolarHBondContact CE-OD2 3.3Å; M326-D329 PolarHBondContact O-N 3.43Å; D329-T333 VanDerWaalsContact O-CB 3.26Å; D329-T333 WeakPolarHBondContact O-CB 3.42Å; D329-T333 PolarHBondContact O-N 3.34Å; D329-T333 PolarHBondContact O-OG1 3.2Å
330V93.9Very high90.9Very high0 Ų042.5 Ų42.50%024%0.239CC..Hα-helixtrans-61.2-51.9173.2169.40000110.8Y192 L264 I266 V304 M326 N332 T333 I334Y192-V330 HydrophobicContact CD1-CG2 3.52Å; Y192-V330 HydrophobicContact CD2-CG2 4.3Å; Y192-V330 HydrophobicContact CE1-CG2 3.97Å; Y192-V330 HydrophobicContact CG-CG2 3.72Å; L264-V330 HydrophobicContact CD2-CG1 3.87Å; I266-V330 HydrophobicContact CD1-CG1 4.35Å; V304-V330 HydrophobicContact CG1-CG1 4.29Å; V304-V330 HydrophobicContact CG2-CB 4.44Å; V304-V330 HydrophobicContact CG2-CG1 4.3Å; M326-V330 WeakPolarHBondContact O-CB 3.41Å; M326-V330 WeakPolarHBondContact O-CG2 3.31Å; M326-V330 PolarHBondContact O-N 2.95Å; V330-N332 VanDerWaalsContact C-N 3.35Å; V330-N332 PolarHBondContact O-N 2.91Å; V330-T333 PolarHBondContact O-N 2.97Å; V330-T333 VanDerWaalsContact O-N 3.15Å; V330-I334 HydrophobicContact CG1-CD1 3.94Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 2.86Å
331I93.6Very high90.5Very high31 Ų3144 Ų4416%0.15924%0.244CC..Hα-helixtrans-66.3-36.2-179.5-167.262.2000112.2A293 V304 A327 Q328 T333 G335A293-I331 HydrophobicContact CB-CD1 3.65Å; V304-I331 HydrophobicContact CG1-CD1 4.3Å; A327-I331 WeakPolarHBondContact O-CG2 3.5Å; A327-I331 PolarHBondContact O-N 2.65Å; Q328-I331 WeakPolarHBondContact O-CG2 3.25Å; I331-T333 VanDerWaalsContact C-N 3.3Å; I331-T333 PolarHBondContact O-N 3.19Å; I331-G335 PolarHBondContact O-N 3.37Å
332N93.4Very high90.1Very high73 Ų7349.9 Ų49.939%0.3927%0.27SS..Hα-helixtrans-62.4-37.3172.7-71.6-11.3000112Q328 V330 Q336Q328-N332 PolarHBondContact NE2-OD1 2.9Å; Q328-N332 VanDerWaalsContact O-CB 3.25Å; Q328-N332 WeakPolarHBondContact O-CB 3.43Å; Q328-N332 PolarHBondContact O-N 3.44Å; Q328-N332 PolarHBondContact O-ND2 3Å; Q328-N332 PolarHBondContact O-OD1 2.99Å; V330-N332 VanDerWaalsContact C-N 3.35Å; V330-N332 PolarHBondContact O-N 2.91Å; N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 3.06Å; N332-Q336 PolarHBondContact O-NE2 2.92Å
333T93.8Very high89.8Confident2 Ų254.2 Ų54.21%0.01229%0.289CS..Hα-helixtrans-77.8-36.9-178.4-55.20000111.5F181 L185 M190 Y192 I266 D329 V330 I331 Q336 A337F181-T333 HydrophobicContact CZ-CG2 4Å; L185-T333 HydrophobicContact CD1-CG2 4.27Å; L185-T333 HydrophobicContact CD2-CG2 4.17Å; L185-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact CB-CG2 4.27Å; M190-T333 HydrophobicContact CG-CG2 4.47Å; M190-T333 HydrophobicContact SD-CG2 3.78Å; Y192-T333 HydrophobicContact CE2-CG2 4.26Å; Y192-T333 PolarHBondContact OH-OG1 3.21Å; I266-T333 HydrophobicContact CB-CG2 4.33Å; I266-T333 HydrophobicContact CD1-CG2 4.03Å; I266-T333 HydrophobicContact CG2-CG2 4.08Å; D329-T333 VanDerWaalsContact O-CB 3.26Å; D329-T333 WeakPolarHBondContact O-CB 3.42Å; D329-T333 PolarHBondContact O-N 3.34Å; D329-T333 PolarHBondContact O-OG1 3.2Å; V330-T333 PolarHBondContact O-N 2.97Å; V330-T333 VanDerWaalsContact O-N 3.15Å; I331-T333 VanDerWaalsContact C-N 3.3Å; I331-T333 PolarHBondContact O-N 3.19Å; T333-Q336 PolarHBondContact O-N 3.45Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 3.42Å
334I93.6Very high89.6Confident1 Ų155.1 Ų55.11%0.00529%0.293CS..Hα-helixtrans-59.3-47.4168-65.9171.5000110.1I266 L271 A293 V304 V330 Q336 A337 F338I266-I334 HydrophobicContact CD1-CG1 4.01Å; L271-I334 HydrophobicContact CD1-CD1 4.32Å; L271-I334 HydrophobicContact CD2-CG1 4.28Å; A293-I334 HydrophobicContact CB-CG2 4.17Å; V304-I334 HydrophobicContact CG1-CD1 4.48Å; V330-I334 HydrophobicContact CG1-CD1 3.94Å; V330-I334 WeakPolarHBondContact O-CG1 3.39Å; V330-I334 PolarHBondContact O-N 2.86Å; I334-Q336 PolarHBondContact O-N 3.15Å; I334-A337 PolarHBondContact O-N 3.49Å; I334-F338 HydrophobicContact CG2-CD2 3.86Å; I334-F338 HydrophobicContact CG2-CE2 3.72Å; I334-F338 VanDerWaalsContact O-CD2 3.3Å; I334-F338 WeakPolarHBondContact O-CD2 3.46Å; I334-F338 PolarHBondContact O-N 3.35Å
335G93.1Very high89.5Confident40 Ų4056.5 Ų56.541%0.41228%0.283SS..Hα-helixtrans-59.1-43.5178.200000113.1I331 F338 E339I331-G335 PolarHBondContact O-N 3.37Å; G335-F338 PolarHBondContact O-N 3.23Å; G335-E339 PolarHBondContact O-N 3.2Å
336Q90.8Very high89.4Confident59 Ų5960.1 Ų60.128%0.27629%0.293SS..Hα-helixtrans-67.8-39.5175.4-73.8170.294.600112.5F181 N332 T333 I334 F338 E339 L340F181-Q336 VanDerWaalsContact CE1-OE1 3.28Å; N332-Q336 WeakPolarHBondContact O-CG 3.49Å; N332-Q336 PolarHBondContact O-N 3.06Å; N332-Q336 PolarHBondContact O-NE2 2.92Å; T333-Q336 PolarHBondContact O-N 3.45Å; I334-Q336 PolarHBondContact O-N 3.15Å; Q336-F338 VanDerWaalsContact C-N 3.31Å; Q336-F338 PolarHBondContact O-N 3.44Å; Q336-E339 PolarHBondContact O-N 2.86Å; Q336-L340 WeakPolarHBondContact O-CB 3.35Å; Q336-L340 WeakPolarHBondContact O-CG 3.39Å; Q336-L340 PolarHBondContact O-N 3.44Å
337A92.4Very high88.8Confident0 Ų064.5 Ų64.50%031%0.309CS..Hα-helixtrans-58.4-42.8174.900000111.9L185 I266 M287 T333 I334 R341L185-A337 HydrophobicContact CD2-CB 3.81Å; I266-A337 HydrophobicContact CG2-CB 4.03Å; M287-A337 HydrophobicContact SD-CB 4.44Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 3.42Å; I334-A337 PolarHBondContact O-N 3.49Å; A337-R341 PolarHBondContact O-N 2.91Å
338F90.8Very high87.1Confident67 Ų6768.6 Ų68.629%0.29433%0.331SS..Hα-helixtrans-61.4-48.6172.2-85.9-67.4000112.8M287 I290 I334 G335 Q336 L340 R341 F342M287-F338 HydrophobicContact SD-CD1 4.47Å; M287-F338 HydrophobicContact SD-CE1 4.43Å; I290-F338 HydrophobicContact CB-CE1 4.43Å; I290-F338 HydrophobicContact CB-CZ 3.72Å; I290-F338 HydrophobicContact CG2-CE2 4.18Å; I290-F338 HydrophobicContact CG2-CZ 3.65Å; I334-F338 HydrophobicContact CG2-CD2 3.86Å; I334-F338 HydrophobicContact CG2-CE2 3.72Å; I334-F338 VanDerWaalsContact O-CD2 3.3Å; I334-F338 WeakPolarHBondContact O-CD2 3.46Å; I334-F338 PolarHBondContact O-N 3.35Å; G335-F338 PolarHBondContact O-N 3.23Å; Q336-F338 VanDerWaalsContact C-N 3.31Å; Q336-F338 PolarHBondContact O-N 3.44Å; F338-L340 VanDerWaalsContact C-N 3.32Å; F338-L340 PolarHBondContact O-N 2.93Å; F338-R341 PolarHBondContact O-N 3.35Å; F338-F342 WeakPolarHBondContact O-CB 3.35Å; F338-F342 PolarHBondContact O-N 3.01Å
339E90Very high85.2Confident101 Ų10167.9 Ų67.947%0.47234%0.336SS..Hα-helixtrans-65-37.5-177.9-154.5-156.6167.500111.7G335 Q336 F342 K343G335-E339 PolarHBondContact O-N 3.2Å; Q336-E339 PolarHBondContact O-N 2.86Å; E339-F342 PolarHBondContact O-N 3.25Å; E339-K343 VanDerWaalsContact CD-CE 3.49Å; E339-K343 WeakPolarHBondContact O-CB 3.23Å; E339-K343 WeakPolarHBondContact O-CD 3.2Å; E339-K343 VanDerWaalsContact O-CG 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 3.95Å; E339-K343 PolarHBondContact OE1-NZ 3.01Å; E339-K343 IonicContact OE2-NZ 3.04Å; E339-K343 PolarHBondContact OE2-NZ 3.42Å
340L88.9Confident82.7Confident29 Ų2969.2 Ų69.215%0.15235%0.351CS..Hα-helixtrans-67.4-45.9174.8-69.2167.6000111.8L182 L185 T268 Q336 F338 F342 K343 Q344L182-L340 HydrophobicContact CD2-CD1 3.57Å; L182-L340 HydrophobicContact CD2-CD2 3.72Å; L182-L340 HydrophobicContact CD2-CG 4.2Å; L185-L340 HydrophobicContact CB-CD1 4.23Å; L185-L340 HydrophobicContact CD1-CD1 4.05Å; T268-L340 HydrophobicContact CG2-CB 3.76Å; T268-L340 HydrophobicContact CG2-CD1 4.3Å; Q336-L340 WeakPolarHBondContact O-CB 3.35Å; Q336-L340 WeakPolarHBondContact O-CG 3.39Å; Q336-L340 PolarHBondContact O-N 3.44Å; F338-L340 VanDerWaalsContact C-N 3.32Å; F338-L340 PolarHBondContact O-N 2.93Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 3.09Å; L340-K343 PolarHBondContact O-N 3.49Å; L340-Q344 WeakPolarHBondContact O-CB 3.34Å; L340-Q344 PolarHBondContact O-N 2.82Å
341R86.9Confident80.5Confident31 Ų3175.1 Ų75.112%0.11738%0.382CS..Hα-helixtrans-62.3-39.4175.3-165.7-173.4-176.41362.6111.3T268 C269 H286 A337 F338 Q344 Y345 D352T268-R341 WeakPolarHBondContact O-CD 3.32Å; C269-R341 PolarHBondContact O-NH1 3.36Å; H286-R341 PolarHBondContact CD2-NH1 3.44Å; H286-R341 PolarHBondContact CE1-NH2 3.08Å; H286-R341 PolarHBondContact NE2-NH1 2.89Å; H286-R341 PolarHBondContact NE2-NH2 3.24Å; A337-R341 PolarHBondContact O-N 2.91Å; F338-R341 PolarHBondContact O-N 3.35Å; R341-Q344 PolarHBondContact O-N 3.15Å; R341-Y345 WeakPolarHBondContact O-CB 3.49Å; R341-Y345 PolarHBondContact O-N 3.2Å; R341-D352 IonicContact NH2-OD1 3.62Å; R341-D352 PolarHBondContact NH2-OD1 3.03Å; R341-D352 IonicContact NH2-OD2 3.02Å
342F84.4Confident77.9Confident127 Ų12777.6 Ų77.656%0.55740%0.395SS*.Hα-helixtrans-62.4-44.9174.7-178.3-109.3000111.9F338 E339 L340 Q344 Y345 L346F338-F342 WeakPolarHBondContact O-CB 3.35Å; F338-F342 PolarHBondContact O-N 3.01Å; E339-F342 PolarHBondContact O-N 3.25Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 3.09Å; F342-Q344 VanDerWaalsContact C-N 3.28Å; F342-Q344 PolarHBondContact O-N 3.14Å; F342-Y345 PolarHBondContact O-N 3.29Å; F342-L346 HydrophobicContact CD1-CD1 4.03Å; F342-L346 HydrophobicContact CE1-CD1 3.55Å; F342-L346 HydrophobicContact CE1-CG 4.37Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.49Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.26Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.96Å
343K85.8Confident75.3Confident91 Ų9179.9 Ų79.940%0.39641%0.412SS..Hα-helixtrans-61.9-32.5172.8-72.9164-176.6167.30112.8E339 L340 K347E339-K343 VanDerWaalsContact CD-CE 3.49Å; E339-K343 WeakPolarHBondContact O-CB 3.23Å; E339-K343 WeakPolarHBondContact O-CD 3.2Å; E339-K343 VanDerWaalsContact O-CG 3.23Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.93Å; E339-K343 WeakPolarHBondContact OE1-CE 3.44Å; E339-K343 IonicContact OE1-NZ 3.95Å; E339-K343 PolarHBondContact OE1-NZ 3.01Å; E339-K343 IonicContact OE2-NZ 3.04Å; E339-K343 PolarHBondContact OE2-NZ 3.42Å; L340-K343 PolarHBondContact O-N 3.49Å; K343-K347 VanDerWaalsContact O-CG 3.31Å; K343-K347 WeakPolarHBondContact O-CG 3.39Å; K343-K347 PolarHBondContact O-N 2.91Å
344Q81.6Confident72.4Confident92 Ų9284.8 Ų84.843%0.4345%0.446SS..Hα-helixtrans-73.6-44.2176.6-173.8172.1-7.700111.7L340 R341 F342 L346 K347 N348L340-Q344 WeakPolarHBondContact O-CB 3.34Å; L340-Q344 PolarHBondContact O-N 2.82Å; R341-Q344 PolarHBondContact O-N 3.15Å; F342-Q344 VanDerWaalsContact C-N 3.28Å; F342-Q344 PolarHBondContact O-N 3.14Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.07Å; Q344-K347 PolarHBondContact O-N 2.78Å; Q344-N348 PolarHBondContact O-N 3.01Å
345Y79.3Confident69.7Low135 Ų13590.5 Ų90.553%0.52949%0.485SS..Hα-helixtrans-59.1-39.7174.2-177.5-91.2000112.2R341 F342 K347R341-Y345 WeakPolarHBondContact O-CB 3.49Å; R341-Y345 PolarHBondContact O-N 3.2Å; F342-Y345 PolarHBondContact O-N 3.29Å; Y345-K347 VanDerWaalsContact C-N 3.28Å; Y345-K347 PolarHBondContact O-N 3.41Å
346L81.3Confident67.4Low116 Ų11697.1 Ų97.161%0.60751%0.505SS*.THydrogen-bonded Turntrans-69.3-19.9173.8-71.5177.6000114.3F342 Q344F342-L346 HydrophobicContact CD1-CD1 4.03Å; F342-L346 HydrophobicContact CE1-CD1 3.55Å; F342-L346 HydrophobicContact CE1-CG 4.37Å; F342-L346 HydrophobicContact CE2-CD1 4.47Å; F342-L346 HydrophobicContact CE2-CG 4.49Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.49Å; F342-L346 HydrophobicContact CZ-CG 4.26Å; F342-L346 WeakPolarHBondContact O-CG 3.49Å; F342-L346 PolarHBondContact O-N 2.96Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-L346 PolarHBondContact O-N 3.07Å
347K75.1Confident64.6Low168 Ų168100.2 Ų100.273%0.7353%0.534SS*.THydrogen-bonded Turntrans-93.6-43.3179.7-77.7178.3175.7-170.40112.8K343 Q344 Y345K343-K347 VanDerWaalsContact O-CG 3.31Å; K343-K347 WeakPolarHBondContact O-CG 3.39Å; K343-K347 PolarHBondContact O-N 2.91Å; Q344-K347 PolarHBondContact O-N 2.78Å; Y345-K347 VanDerWaalsContact C-N 3.28Å; Y345-K347 PolarHBondContact O-N 3.41Å
348N57.4Low62Low91 Ų91109.5 Ų109.549%0.48758%0.577SS.*  trans-134.485.5-176.3-73.5-27.2000110.1Q344 S350 L351Q344-N348 PolarHBondContact O-N 3.01Å; N348-S350 PolarHBondContact O-N 3.36Å; N348-L351 HydrophobicContact CB-CD1 4.32Å
349P50.7Low59.4Low99 Ų99113.3 Ų113.364%0.64360%0.596SS**THydrogen-bonded Turntrans-72.4-3.5178.630.3-36.2000113.9
350S40Very low56.5Low100 Ų100114.6 Ų114.670%0.69961%0.61SS**THydrogen-bonded Turntrans-103.63.7-169.549.30000115.7N348N348-S350 PolarHBondContact O-N 3.36Å
351L46.9Very low54Low125 Ų125123.1 Ų123.165%0.65464%0.641SS**  trans-11614.8-173.5-67.6177000115.3N348 T353N348-L351 HydrophobicContact CB-CD1 4.32Å; L351-T353 PolarHBondContact O-N 2.85Å
352D39.8Very low51.4Low82 Ų82128.9 Ų128.944%0.43967%0.672SS.*  trans-7954.3172.9-107.9-18.7000111Q288 R341Q288-D352 PolarHBondContact NE2-OD2 3.41Å; R341-D352 IonicContact NH2-OD1 3.62Å; R341-D352 PolarHBondContact NH2-OD1 3.03Å; R341-D352 IonicContact NH2-OD2 3.02Å
353T38.2Very low49Very low122 Ų122129.8 Ų129.875%0.74868%0.683SS**SBendtrans-152137.4165.6-62.30000109.9L351L351-T353 PolarHBondContact O-N 2.85Å
354S32.7Very low46.2Very low104 Ų104130.3 Ų130.373%0.72770%0.698SS**  trans54.692.8-178.555.10000116.9
355C38.5Very low43.8Very low122 Ų122134.5 Ų134.582%0.82472%0.717SS**  trans-104.957.9149.3-75.10000110.3
356E44.6Very low41.7Very low178 Ų178132.2 Ų132.283%0.83273%0.726SS**  trans-131.9105.7163.7-80.7-169.710400109.1
357S30.6Very low39.5Very low125 Ų125135 Ų13587%0.87474%0.736SS**  trans-165.9109.1162.4-77.30000106.7
358E39.5Very low37.5Very low194 Ų194135.1 Ų135.191%0.90774%0.739SS**  trans-74.3167.6178.2-65.7-165.6108.200111.9V360E358-V360 PolarHBondContact O-N 3.38Å; E358-V360 VanDerWaalsContact O-N 3.12Å
359E35.7Very low36.4Very low147 Ų147135.8 Ų135.869%0.68775%0.751SS**  trans-61.9112.3178-69.2-171.7-159.300112.1R361E359-R361 IonicContact OE2-CZ 2.74Å; E359-R361 IonicContact OE2-NE 3.28Å; E359-R361 PolarHBondContact OE2-NE 2.89Å; E359-R361 VanDerWaalsContact OE2-NE 3.07Å; E359-R361 IonicContact OE2-NH2 3.55Å; E359-R361 PolarHBondContact OE2-NH2 3.35Å
360V29.1Very low35.7Very low128 Ų128139.8 Ų139.878%0.77676%0.761SS**  trans-115.1107.6154.3-179.20000108.2E358E358-V360 PolarHBondContact O-N 3.38Å; E358-V360 VanDerWaalsContact O-N 3.12Å
361R35.6Very low35.7Very low209 Ų209142.8 Ų142.879%0.78977%0.769SS**  trans-79.9120.1176.9-59176.4-167.5168.83.7109.3E359E359-R361 IonicContact OE2-CZ 2.74Å; E359-R361 IonicContact OE2-NE 3.28Å; E359-R361 PolarHBondContact OE2-NE 2.89Å; E359-R361 VanDerWaalsContact OE2-NE 3.07Å; E359-R361 IonicContact OE2-NH2 3.55Å; E359-R361 PolarHBondContact OE2-NH2 3.35Å
362I32.2Very low35.9Very low152 Ų152145.5 Ų145.578%0.77978%0.778SS**  trans-122.5123.7156.7-63.2-177.4000106.7
363D33.6Very low36.1Very low146 Ų146149.6 Ų149.678%0.78180%0.795SS**  trans-87.1125.7178178.522.7000109.5
364S28.7Very low36.5Very low101 Ų101152.8 Ų152.871%0.70679%0.794SS**  trans-168.1103.8167.4-800000110.6
365H30.9Very low37.5Very low180 Ų180156.6 Ų156.683%0.83379%0.794SS**  trans27136146.5-69.9-89000121.4
366A35.6Very low38.3Very low87 Ų87156.5 Ų156.572%0.71979%0.785SS**  trans-67.7156.7165.400000112.6
367E34.8Very low38.7Very low176 Ų176155.4 Ų155.482%0.82278%0.78SS**  -152.3174.9129.9-93-42.8143.700109.8
368E33.2Very low39.5Very low169 Ų169155.4 Ų155.479%0.7977%0.769SS**  trans-80.8161.8-165.3-57.4-175.6126.400116.6
369S33.8Very low39.8Very low105 Ų105152.5 Ų152.573%0.73477%0.767SS**  trans24126151.161.50000121.9
370E36.8Very low40.7Very low184 Ų184149.5 Ų149.586%0.8678%0.775SS**  trans-156.8137.6133.7-118.4168.4-164.400111
371D39.2Very low41.6Very low162 Ų162151.2 Ų151.287%0.86677%0.773SS**  trans-71133.4179.6-101.1-50.2000111.1E373D371-E373 VanDerWaalsContact C-N 3.33Å; D371-E373 PolarHBondContact O-N 2.8Å
372H50Low42.2Very low183 Ų183149.8 Ų149.885%0.84778%0.775SS**  trans-8380.1176.1-74.9-2.3000111.1Y374H372-Y374 PolarHBondContact O-N 3.02Å; H372-Y374 VanDerWaalsContact O-N 3.08Å
373E45Very low43Very low168 Ų168147.4 Ų147.479%0.78577%0.769SS**  trans-42.8108.1175.5-164.288-99.500112.1D371D371-E373 VanDerWaalsContact C-N 3.33Å; D371-E373 PolarHBondContact O-N 2.8Å
374Y47.2Very low43.9Very low189 Ų189146 Ų14674%0.74177%0.768SS**  trans-75.4140.4-175.5-173.9-113000111.1H372 N376H372-Y374 PolarHBondContact O-N 3.02Å; H372-Y374 VanDerWaalsContact O-N 3.08Å; Y374-N376 HydrophobicContact CD1-CB 4.49Å; Y374-N376 VanDerWaalsContact CE1-ND2 3.25Å; Y374-N376 WeakPolarHBondContact CE1-ND2 3.31Å; Y374-N376 PolarHBondContact O-N 2.86Å
375Y54Low44.8Very low184 Ų184146.7 Ų146.772%0.72278%0.78SS**THydrogen-bonded Turntrans-73.460.1-167.8-166.4-97.5000114.3
376N53.5Low45Very low120 Ų120141.9 Ų141.964%0.64278%0.779SS**THydrogen-bonded Turntrans-145.7-14173.8-80.8-70000115.4Y374 I378Y374-N376 HydrophobicContact CD1-CB 4.49Å; Y374-N376 VanDerWaalsContact CE1-ND2 3.25Å; Y374-N376 WeakPolarHBondContact CE1-ND2 3.31Å; Y374-N376 PolarHBondContact O-N 2.86Å; N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.71Å; N376-I378 VanDerWaalsContact O-N 3.14Å
377E53Low45.1Very low154 Ų154141.5 Ų141.572%0.7278%0.783SS**SBendtrans-80.214.8-173.2-67.8-60.1139.300115.8
378I48.9Very low45.4Very low126 Ų126140.3 Ų140.365%0.64679%0.788SS**SBendtrans-124100.9175.9-54.5-179.1000111.1N376 G380 K381N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.71Å; N376-I378 VanDerWaalsContact O-N 3.14Å; I378-G380 PolarHBondContact O-N 3.5Å; I378-K381 HydrophobicContact CG2-CG 4.19Å
379P44.6Very low45.5Very low132 Ų132137.5 Ų137.586%0.85779%0.786SS**THydrogen-bonded Turntrans-60.8124.2173.6-23.534.2000112.2
380G55.1Low45.5Very low84 Ų84139.1 Ų139.187%0.86679%0.787SS**THydrogen-bonded Turntrans101.411.6167.100000117.5I378I378-G380 PolarHBondContact O-N 3.5Å
381K49Very low45.3Very low165 Ų165137.6 Ų137.672%0.71778%0.782SS**PPolyproline II helixtrans-83.3132.1166.4-75.4-73.7-176.51730111.2I378I378-K381 HydrophobicContact CG2-CG 4.19Å
382Q48.1Very low45.1Very low178 Ų178139.8 Ų139.883%0.83278%0.778SS**PPolyproline II helixtrans-93.2140-179.8-160.5170.218.100110.1
383P48.3Very low44.4Very low103 Ų103138.1 Ų138.167%0.66977%0.774SS**PPolyproline II helixtrans-69157.6-174.126.7-35.7000113.4
384P53.1Low43.7Very low117 Ų117138.7 Ų138.776%0.7677%0.774SS**PPolyproline II helixtrans-59.7141.8-179.1-2434.6000113.9G386P384-G386 PolarHBondContact O-N 3.26Å
385A46.3Very low42.8Very low115 Ų115134.6 Ų134.695%0.9577%0.768SS**  trans-77.492.3-179.600000112.1
386G36.2Very low41.4Very low78 Ų78134.7 Ų134.780%0.80478%0.775SS**  trans-128.468.5175.700000112.2P384P384-G386 PolarHBondContact O-N 3.26Å
387G36.7Very low40.1Very low79 Ų79132.8 Ų132.881%0.81478%0.776SS**  trans-90.7133.8-175.800000114.3
388V41.4Very low38.9Very low152 Ų152131.8 Ų131.892%0.92178%0.78SS**  trans-113.6140.7154.6-70.50000108.7
389S35.6Very low38Very low109 Ų109134 Ų13476%0.76279%0.788SS**  trans-90.4129.8-157.449.40000115.3
390D34Very low37.2Very low140 Ų140137.3 Ų137.375%0.74979%0.792SS**  trans-94.9109.2165.3-177.79.3000110
391M32.1Very low35.9Very low151 Ų151141.9 Ų141.974%0.74479%0.793SS**  trans-103.681.1-177.4-72.1-162.681.700112.6I393M391-I393 PolarHBondContact O-N 3.36Å
392R35Very low34.8Very low208 Ų208138.4 Ų138.479%0.78580%0.795SS**  trans-8092.8168.6-172.8-179.6-59.1167.77.1111.9
393I35.6Very low33.7Very low149 Ų149140.3 Ų140.376%0.76480%0.796SS**  trans-83.2138.8162.2-60.6179.4000109.2M391M391-I393 PolarHBondContact O-N 3.36Å
394K30.8Very low32.8Very low180 Ų180140.4 Ų140.478%0.78380%0.798SS**  trans-118.7140.7179-164.4-176.6177.7-176.70106.3
395V27.2Very low32.1Very low102 Ų102140 Ų14062%0.61880%0.795SS**  174.4133.994.7152.70000109.6
396Q25.9Very low31.2Very low186 Ų186141.4 Ų141.487%0.86979%0.786SS**  trans61.2151.1158.5-74.9163-3.300118.8
397A25.6Very low30.7Very low80 Ų80148.8 Ų148.866%0.66179%0.789SS**  cis-164.5-179.1-7.100000111.1
398T26.8Very low30.5Very low133 Ų133150.8 Ų150.882%0.81679%0.789SS**  trans87.3140.8157.4-44.20000117.6
399E31.5Very low29.8Very low173 Ų173150.6 Ų150.681%0.80878%0.778SS**  trans-81.8145.1-179.6-50.1146.4122.500111
400Q28.2Very low29.5Very low201 Ų201153.4 Ų153.494%0.93978%0.777SS**  trans-167.8169.3139.2-112163.541.400115.8
401M25.9Very low29.1Very low181 Ų181153.7 Ų153.789%0.89278%0.777SS**  trans-71.9149-169.6-93176.3159.900116.7
402A27.2Very low29Very low91 Ų91151.8 Ų151.875%0.75278%0.778SS**  trans81.1150.213100000123.6
403Y23.9Very low28.6Very low218 Ų218152.8 Ų152.886%0.85578%0.783SS**  trans91.2119.8146.4-128-105.3000120.5
404C30.6Very low28.2Very low105 Ų105153.1 Ų153.171%0.70979%0.786SS**  trans-90.2164.2164-48.90000109.8
405P38.6Very low28.7Very low109 Ų109150 Ų15071%0.70878%0.784SS**  -155.7132.2109.134.2-14.2000118.5
406I26.9Very low28.6Very low145 Ų145148.9 Ų148.974%0.74479%0.793SS**  45.2123.3114.5-54.8176.3000120.9
407R26Very low28.5Very low232 Ų232147.4 Ų147.488%0.87579%0.791SS**  trans77.4105.3151.1-77.9171.8-173.9-169.81.2123.1
408C31.1Very low28.7Very low121 Ų121147.5 Ų147.582%0.81879%0.787SS**  7.9129114.4-177.50000119.9
409E28.5Very low28.7Very low149 Ų149150.9 Ų150.970%0.69679%0.79SS**  -169.8168.6129.9-132.8-176.7-138.700114.1
410K27.5Very low28.5Very low167 Ų167148.8 Ų148.873%0.72679%0.793SS**  trans71.5155.7161.5-70.7177.8-179.880.70117.7
411L27.3Very low28.2Very low146 Ų146144.4 Ų144.476%0.76479%0.785SS**  cis-148.5164.97.2-130.9160.5000111
412C28.3Very low28.4Very low111 Ų111141.5 Ų141.575%0.7578%0.782SS**  trans-106.6148.5177.3-50.70000112.2
413Y26.3Very low28.4Very low230 Ų230143 Ų14390%0.90278%0.782SS**  trans-156.9162.9152.8-105-75.6000111.9
414L28.4Very low28.4Very low156 Ų156141.2 Ų141.282%0.81778%0.775SS**  trans-139.9-178.9-171.7-91.7169.5000108.4
415P41.5Very low28.3Very low115 Ų115142.1 Ų142.175%0.74777%0.768SS**  cis-137164.9-14.329.5-8.1000116.8
416G24.1Very low27.9Very low78 Ų78141.7 Ų141.780%0.80476%0.761SS**  74.8135.4126.900000123.6
417N24Very low27.9Very low155 Ų155139.9 Ų139.983%0.82976%0.76SS**  -169.8145.2100.6-161.211.7000114.4
418S30.3Very low28.1Very low82 Ų82135 Ų13557%0.57375%0.75SS**  trans26123.2157.4680000122.6
419K27.6Very low27.9Very low204 Ų204136.3 Ų136.389%0.88774%0.744SS**  -170.4155.391.9-98.2173.6-175.8177.70112.5
420C25.7Very low27.7Very low129 Ų129136.9 Ų136.987%0.87275%0.747SS**  trans-77.1166.4178.9-43.80000110.8
421S22.3Very low27.5Very low109 Ų109133.5 Ų133.576%0.76274%0.744SS**  -151.6145.761.6-163.90000114.6
422S30.3Very low27.6Very low119 Ų119138.2 Ų138.283%0.83275%0.752SS**  trans-133.3128163.3176.90000108.3
423V26.6Very low27.5Very low124 Ų124136.4 Ų136.475%0.75275%0.745SS**  trans-157.9126.9-179.8177.90000105.2
424Y24.5Very low27.5Very low180 Ų180134 Ų13471%0.70675%0.746SS**  cis-153141.4-11.8-156.6-118.6000104.3
425E29.6Very low27.3Very low123 Ų123129.7 Ų129.758%0.57574%0.74SS**  44.5144.788.6-106.4-157.7-12200114.8
426N28.4Very low26.5Very low101 Ų101132 Ų13254%0.5475%0.746SS.*  cis-158.2173.7-2-145.1-19.4000107.6
427C27.8Very low26.5Very low107 Ų107134.8 Ų134.872%0.72375%0.747SS**  -171.4138.270.3-98.10000108.8
428L30.6Very low26.4Very low129 Ų129135.9 Ų135.968%0.67575%0.747SS**  70.7137.784.2-107.871.2000113.3
429E26.3Very low27Very low148 Ų148136 Ų13669%0.69275%0.745SS**  cis-143.7-172.319.9-55.6-166.687.300111.8
430Q24.2Very low26.8Very low161 Ų161137.2 Ų137.275%0.75274%0.744SS**  cis-151.9172.80.4-144.8167.359.500109.8
431S24.3Very low26.6Very low97 Ų97134.1 Ų134.168%0.67873%0.734SS**  trans-128.9155.1-175.364.60000114.2
432R29.2Very low26.8Very low244 Ų244134.7 Ų134.792%0.92173%0.733SS**  trans157.4155.4152.9-88.2154.2-167-163.53.5110
433A25.8Very low26.5Very low74 Ų74137.6 Ų137.661%0.61273%0.733SS**  cis-161.8160.42.700000112
434I26Very low26.4Very low178 Ų178137 Ų13791%0.91374%0.735SS**  trans63.8136.7149.3-61161.6000117.2
435G24.4Very low26.5Very low67 Ų67137.9 Ų137.969%0.69175%0.745SS**  cis-172.5-167.93.800000113.7
436N23.8Very low26.2Very low164 Ų164142.2 Ų142.288%0.87776%0.756SS**  trans-65.2152.6-169.4-68.7-50000116.1
437V24.2Very low26Very low136 Ų136145.2 Ų145.282%0.82477%0.772SS**  -177.2155.7106.9149.90000111.7
438H23Very low25.8Very low178 Ų178146 Ų14682%0.82477%0.774SS**  trans-140.8172.8179.8-116.951.6000107.2
439P42.6Very low25.5Very low83 Ų83145.8 Ų145.854%0.53978%0.783SS.*  cis-138.5-169.4-16.339.7-21.5000113.7
440R23.8Very low25.6Very low230 Ų230146.9 Ų146.987%0.86879%0.793SS**  trans71.3139.3144.9-157-171.3-48.8-105.72.7117.5
441G21.9Very low25.7Very low64 Ų64147.1 Ų147.166%0.6680%0.798SS**  cis159.3-172.3-6.400000112.1
442V24.9Very low25.7Very low122 Ų122151.4 Ų151.474%0.73981%0.805SS**  trans86.5116.2161.1-175.50000119.5
443Q24.4Very low25.4Very low179 Ų179148.9 Ų148.984%0.83680%0.803SS**  trans44.8130.3147-68.3164.4-22.900120.9
444S24.1Very low25.3Very low112 Ų112151.5 Ų151.578%0.78381%0.812SS**  cis96.9105.539.8171.40000114
445Q26.3Very low25.2Very low199 Ų199148.7 Ų148.793%0.9381%0.807SS**  trans-144.9169.6137.2-129.5174.48.300111.1
446R24.8Very low25.3Very low214 Ų214155.4 Ų155.481%0.80881%0.811SS**  trans-137.4132.6-166.1172.1-149.9-61.4163.7-0.4107.3
447D22.6Very low25.5Very low164 Ų164153 Ų15388%0.87780%0.802SS**  trans-145158.4158.5-117.4-40000112.1
448T24.1Very low25.5Very low122 Ų122152.5 Ų152.575%0.74880%0.795SS**  trans-133.2130.7-165.952.50000112.7
449S25.7Very low26Very low126 Ų126150.9 Ų150.988%0.88179%0.792SS**  trans-134.7120162.7540000111.2
450L26.4Very low25.2Very low171 Ų171157 Ų15790%0.89581%0.81SS**  trans-80.6130.7170.5-90.6156.4000109.4
451L27Very low25.5Very low165 Ų165153.5 Ų153.586%0.86481%0.809SS**  trans-140.9147.4150.4-14370000111
452K24.1Very low25.9Very low188 Ų188158 Ų15882%0.81782%0.818SS**  trans-89.6141.8-170.1-56.1168.9-176.21730109.9
453H23.7Very low26.6Very low190 Ų190157.2 Ų157.288%0.8882%0.815SS**  trans-120.7115.1156.9-88.9-83.6000110.4
454T23.2Very low26.8Very low129 Ų129153.6 Ų153.679%0.79181%0.808SS**  trans-84.4159.7172.6-34.50000109.6
455C24.7Very low27Very low120 Ų120156.6 Ų156.681%0.81180%0.803SS**  trans-51.4142.8-173-480000115.4
456R24.8Very low26.9Very low208 Ų208154.1 Ų154.179%0.78580%0.795SS**  -147.1146.7116.8-126-179.7-175.7-132.86.4111.7D458R456-D458 IonicContact CZ-OD2 3.3Å; R456-D458 IonicContact NH1-OD1 3.1Å; R456-D458 IonicContact NH1-OD2 3.24Å; R456-D458 PolarHBondContact NH1-OD2 3.08Å
457V28.7Very low27.1Very low113 Ų113148.6 Ų148.669%0.68578%0.782SS**  trans-117.6120.1169.3174.50000105.8L459V457-L459 HydrophobicContact CG1-CB 3.96Å; V457-L459 HydrophobicContact CG1-CD1 4.05Å; V457-L459 HydrophobicContact CG1-CG 4.25Å
458D25.4Very low27.6Very low125 Ų125146.8 Ų146.867%0.66878%0.777SS**  trans-129.188.4168.9-79.6-59.7000106R456R456-D458 IonicContact CZ-OD2 3.3Å; R456-D458 IonicContact NH1-OD1 3.1Å; R456-D458 IonicContact NH1-OD2 3.24Å; R456-D458 PolarHBondContact NH1-OD2 3.08Å
459L33.1Very low27.9Very low145 Ų145148.9 Ų148.976%0.75978%0.778SS**  trans-117.563.3-172.4-104.9174.5000110.2V457V457-L459 HydrophobicContact CG1-CB 3.96Å; V457-L459 HydrophobicContact CG1-CD1 4.05Å; V457-L459 HydrophobicContact CG1-CG 4.25Å
460F25.8Very low28Very low210 Ų210147.1 Ų147.192%0.92177%0.771SS**  trans-145.894.7177.2-76.1-69.2000112.6
461D29.5Very low28Very low157 Ų157147.3 Ų147.384%0.8477%0.772SS**  trans-154.2105.3145-150.7-15000109.5
462D29.8Very low27.9Very low160 Ų160148.4 Ų148.486%0.85677%0.773SS**  trans-162.6120.8158.8-141.8-11.8000110.2
463P40.2Very low27.9Very low105 Ų105145.1 Ų145.168%0.68277%0.773SS**  trans-105.8108.5-172.236-31.4000115.1
464C28.8Very low28Very low102 Ų102142.4 Ų142.469%0.68977%0.771SS**  trans-161.8152.5155.6-990000109.1
465Y27.5Very low28Very low175 Ų175144.5 Ų144.569%0.68678%0.776SS**  cis-135.2149.37.7-157.7-113.3000106.9
466I25.8Very low28Very low148 Ų148142.5 Ų142.576%0.75978%0.775SS**  -153.6133.888-79152.3000108.9
467N27.8Very low28Very low97 Ų97138.6 Ų138.652%0.51978%0.78SS.*  trans-137.7115.8161.8-173.5-6.2000110Q469N467-Q469 WeakPolarHBondContact OD1-CG 3.26Å
468T32.8Very low27.7Very low127 Ų127138.2 Ų138.278%0.77979%0.789SS**  trans-106.7100169.9-54.20000107.8
469Q32Very low27.7Very low165 Ų165135.3 Ų135.377%0.77179%0.789SS**PPolyproline II helixtrans-74136.5175.6-64.1-169.518.600110.4N467N467-Q469 WeakPolarHBondContact OD1-CG 3.26Å
470A27.4Very low27.3Very low89 Ų89135.7 Ų135.774%0.73679%0.791SS**PPolyproline II helixtrans-84.6142.2-167.100000113.4
471L26.5Very low27.4Very low175 Ų175133.5 Ų133.592%0.91678%0.784SS**PPolyproline II helixtrans-82.3130.3150-80170.5000108.8
472Q24.7Very low27.1Very low188 Ų188130.3 Ų130.388%0.87977%0.774SS**PPolyproline II helixtrans-87.2120.4176.2-64.4178.20.100110
473S24.6Very low26.9Very low119 Ų119128.3 Ų128.383%0.83277%0.772SS**  trans-120.4111.816254.50000109.2
474T24.1Very low26.2Very low134 Ų134127.9 Ų127.982%0.82278%0.778SS**  trans-75.9129-179.249.90000111.1
475L24.4Very low25.9Very low173 Ų173131.7 Ų131.791%0.90679%0.786SS**  trans-134.6115.4158.6-157.773.9000109.9
476G24.2Very low26.3Very low77 Ų77128.2 Ų128.279%0.79479%0.785SS**  trans-77.5151.4172.300000111.2
477S24.5Very low26.1Very low127 Ų127129.8 Ų129.889%0.88879%0.793SS**  trans-118.1129.1-172.3-178.60000113
478A23.8Very low25.9Very low104 Ų104128.8 Ų128.886%0.8681%0.806SS**  trans-171.5143.3155.900000108.5
479G23.9Very low25.5Very low65 Ų65128.1 Ų128.167%0.6781%0.807SS**  cis161154.2-800000111.3
480N25.3Very low25.8Very low152 Ų152124.6 Ų124.681%0.81380%0.798SS**  trans66163174.6-62-31.2000116.3
481Q27.2Very low25.5Very low165 Ų165131.5 Ų131.577%0.77181%0.805SS**  cis-171.9167-25-101.5-166.763.500107.4
482S24.6Very low25.5Very low90 Ų90131.7 Ų131.763%0.62980%0.801SS**  cis-168.4162.4-20.4-173.90000109.2
483S25Very low25.3Very low117 Ų117128.5 Ų128.582%0.81880%0.798SS**  trans65.9161.6171.380.50000117.3
484A25.5Very low25.2Very low97 Ų97126.2 Ų126.280%0.80279%0.794SS**  cis-146-177.95.500000113.2
485Q22.2Very low25.1Very low182 Ų182130.1 Ų130.185%0.8580%0.799SS**  trans-115.2-177.7175.6-122.6-174-12.300109.1
486P36.3Very low25.2Very low102 Ų102126.2 Ų126.266%0.66279%0.792SS**  cis-138.2-161.5-14.735.9-13.7000114.3
487L22.1Very low25.6Very low180 Ų180128.8 Ų128.894%0.94279%0.794SS**  trans102.3131141.2-153.472.8000119.8
488G22.4Very low25.6Very low76 Ų76131.3 Ų131.378%0.78479%0.792SS**  trans138.3125.7161.800000116.7
489S24.2Very low25.7Very low114 Ų114132.9 Ų132.980%0.79779%0.791SS**  trans-164.9-178.9171.573.70000108.9
490P38.5Very low25.8Very low91 Ų91136.5 Ų136.559%0.59180%0.8SS**  cis-137.7-179.5-14.828.7-4.7000115.1
491W22.1Very low26Very low234 Ų234137.3 Ų137.389%0.88680%0.799SS**  trans62155.7168.2-44.5104.6000117.4
492H25Very low26.5Very low179 Ų179135.5 Ų135.583%0.82980%0.801SS**  cis-154.6-178.325.4-151-92000112.9
493C21.4Very low26.4Very low120 Ų120134.2 Ų134.281%0.81180%0.803SS**  trans-89.5155.7-170.5179.30000116.8
494G22Very low26.8Very low72 Ų72134 Ų13474%0.74281%0.808SS**  trans-16840.5-17800000123.9
495K22.6Very low26.9Very low216 Ų216134.8 Ų134.894%0.93980%0.803SS**  trans63.1166.9159.6-65.6-162.4175.2-168.90121.6
496A26.2Very low27.4Very low91 Ų91130.9 Ų130.975%0.75280%0.802SS**  trans-121.6-176.8-177.100000112.4
497P33.4Very low27Very low130 Ų130134 Ų13484%0.84481%0.808SS**  -135.7176.211939.6-30000114.8
498E24.9Very low27.7Very low181 Ų181130.7 Ų130.785%0.84680%0.797SS**  trans-92.4163.5-167-60.9152.488.400115.3
499T24.4Very low27.9Very low137 Ų137132.2 Ų132.284%0.8480%0.802SS**  trans-164.5123.514320000113.2
500V26.2Very low28.4Very low140 Ų140130.3 Ų130.385%0.84879%0.789SS**  trans60.4123153.5-176.80000120.2
501Q30.7Very low28.7Very low170 Ų170131.8 Ų131.879%0.79480%0.801SS**  trans-87.9174.7167.4-71.7-84.4-2.500111.3
502P36.2Very low29.4Very low126 Ų126127 Ų12782%0.81879%0.788SS**  cis-127169.50.940.6-26.2000114.9
503G23.8Very low30.3Very low64 Ų64122 Ų12266%0.6677%0.774SS**  trans-172.7102.4169.400000114.9T505G503-T505 PolarHBondContact O-N 3.44Å
504A33.2Very low31.7Very low113 Ų113120.9 Ų120.993%0.93476%0.759SS**  trans-73.4119.417500000110.9
505T27.9Very low33.2Very low113 Ų113121.6 Ų121.669%0.69375%0.75SS**  trans-130.1108.8175.3-51.10000110.5G503 Q507G503-T505 PolarHBondContact O-N 3.44Å; T505-Q507 PolarHBondContact O-N 3.01Å
506A31.7Very low34.7Very low100 Ų100115.3 Ų115.383%0.82672%0.724SS**PPolyproline II helixtrans-71.2124.8165.700000109.4
507Q28.5Very low36.3Very low167 Ų167112 Ų11278%0.7869%0.694SS**PPolyproline II helixtrans-89.4137.7172.5-78-79.4-70.300110.1T505T505-Q507 PolarHBondContact O-N 3.01Å
508P35.7Very low37.5Very low111 Ų111109.2 Ų109.272%0.72167%0.668SS**PPolyproline II helixtrans-74.4135.8-179.330.3-34.1000111.5S510P508-S510 PolarHBondContact O-N 2.94Å
509A28.1Very low38.9Very low107 Ų107107.1 Ų107.188%0.88466%0.659SS**PPolyproline II helixtrans-64119.7176.600000111.2
510S34.8Very low40.6Very low75 Ų75103.5 Ų103.552%0.52463%0.632SS.*PPolyproline II helixtrans-68.2148.8-176.630.50000113.5P508 H512P508-S510 PolarHBondContact O-N 2.94Å; S510-H512 PolarHBondContact O-CD2 2.66Å; S510-H512 PolarHBondContact O-N 3.04Å; S510-H512 PolarHBondContact OG-CE1 3.35Å; S510-H512 PolarHBondContact OG-NE2 3.49Å
511S43Very low42.2Very low122 Ų12296.9 Ų96.985%0.85359%0.592SS**  trans-71.988.4167.6540000110.4
512H37.7Very low43.3Very low133 Ų13397.2 Ų97.262%0.61659%0.586SS**  trans-69.1136.4176.9-69.4-87.6000111.3S510S510-H512 PolarHBondContact O-CD2 2.66Å; S510-H512 PolarHBondContact O-N 3.04Å; S510-H512 PolarHBondContact OG-CE1 3.35Å; S510-H512 PolarHBondContact OG-NE2 3.49Å
513S44.7Very low44Very low74 Ų7495.9 Ų95.952%0.51758%0.58SS.*  trans-95.6152.2-171.3590000112.9P515 H516S513-P515 VanDerWaalsContact C-N 3.32Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å; S513-H516 WeakPolarHBondContact O-CB 3.13Å; S513-H516 PolarHBondContact O-N 3.49Å
514L51.1Low45.8Very low96 Ų9694.5 Ų94.550%0.50356%0.556SS.*Hα-helixtrans-40.6-39179.2-67169.4000117H516 I517 K518L514-H516 PolarHBondContact O-N 3.48Å; L514-I517 PolarHBondContact O-N 3.47Å; L514-K518 PolarHBondContact O-N 2.84Å
515P51.7Low47.2Very low87 Ų8794 Ų9457%0.56554%0.535SS*.Hα-helixtrans-58.5-29174.220.3-34.5000114.7S513 K518 Q519S513-P515 VanDerWaalsContact C-N 3.32Å; S513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-K518 WeakPolarHBondContact O-CB 3.4Å; P515-K518 PolarHBondContact O-N 2.74Å; P515-Q519 PolarHBondContact O-N 3.24Å; P515-Q519 VanDerWaalsContact O-N 3.07Å
516H54.7Low49.2Very low85 Ų8589 Ų8939%0.39450%0.504SS..Hα-helixtrans-68.2-44.5-180-164.656.4000111.8S513 L514 K518 Q519 Q520S513-H516 WeakPolarHBondContact O-CB 3.13Å; S513-H516 PolarHBondContact O-N 3.49Å; L514-H516 PolarHBondContact O-N 3.48Å; H516-K518 PolarHBondContact O-N 3.25Å; H516-Q519 PolarHBondContact O-N 3.49Å; H516-Q519 VanDerWaalsContact O-N 3.07Å; H516-Q520 PolarHBondContact O-N 3.42Å
517I61Low51.6Low20 Ų2084.8 Ų84.810%0.10347%0.467CS..Hα-helixtrans-58-40175.9-60.9167.9000110.6L514 Q520 L521 Y558 G578L514-I517 PolarHBondContact O-N 3.47Å; I517-Q520 PolarHBondContact O-N 3.3Å; I517-L521 HydrophobicContact CG2-CD1 4.03Å; I517-L521 WeakPolarHBondContact O-CB 3.44Å; I517-L521 WeakPolarHBondContact O-CG 3.05Å; I517-L521 PolarHBondContact O-N 2.86Å; I517-Y558 HydrophobicContact CG2-CD2 4.13Å; I517-Y558 HydrophobicContact CG2-CE2 3.8Å; I517-G578 WeakPolarHBondContact CD1-O 3.48Å
518K56.9Low53.9Low73 Ų7378.2 Ų78.232%0.31744%0.436SS..Hα-helixtrans-64.1-43.5175.6-173168.5177.5166.70112.5L514 P515 H516 Q520 W522 Y558L514-K518 PolarHBondContact O-N 2.84Å; P515-K518 WeakPolarHBondContact O-CB 3.4Å; P515-K518 PolarHBondContact O-N 2.74Å; H516-K518 PolarHBondContact O-N 3.25Å; K518-Q520 VanDerWaalsContact C-N 3.32Å; K518-W522 HydrophobicContact CD-CZ2 4.5Å; K518-W522 VanDerWaalsContact CE-CZ2 3.5Å; K518-W522 HydrophobicContact CG-CZ2 4.44Å; K518-W522 VanDerWaalsContact O-CG 3.27Å; K518-W522 PolarHBondContact O-N 3.18Å; K518-W522 VanDerWaalsContact O-N 3.12Å; K518-Y558 WeakPolarHBondContact CA-OH 3.41Å; K518-Y558 VanDerWaalsContact CB-OH 3.27Å; K518-Y558 WeakPolarHBondContact CB-OH 3.24Å
519Q55.3Low56.1Low137 Ų13773.6 Ų73.664%0.6441%0.408SS*.Hα-helixtrans-68.7-31.8179.9-170.41748.200112.2P515 H516P515-Q519 PolarHBondContact O-N 3.24Å; P515-Q519 VanDerWaalsContact O-N 3.07Å; H516-Q519 PolarHBondContact O-N 3.49Å; H516-Q519 VanDerWaalsContact O-N 3.07Å
520Q59.7Low58.5Low60 Ų6075.5 Ų75.528%0.2840%0.397SS..Hα-helixtrans-75.7-45174.9-173.9161.7-11.200112.3H516 I517 K518 W522 S523 N589H516-Q520 PolarHBondContact O-N 3.42Å; I517-Q520 PolarHBondContact O-N 3.3Å; K518-Q520 VanDerWaalsContact C-N 3.32Å; Q520-W522 PolarHBondContact O-N 2.98Å; Q520-S523 PolarHBondContact O-N 2.79Å; Q520-S523 PolarHBondContact O-OG 3.24Å; Q520-N589 VanDerWaalsContact NE2-CG 3.3Å; Q520-N589 PolarHBondContact NE2-ND2 2.85Å; Q520-N589 VanDerWaalsContact OE1-CG 3.25Å; Q520-N589 PolarHBondContact OE1-OD1 3.38Å
521L60.8Low60.8Low1 Ų173.3 Ų73.31%0.00538%0.379CS..Hα-helixtrans-60.1-26.6173.5-80.1170.8000113.1I517 S523 E524 Y527 V548 Y558 V590I517-L521 HydrophobicContact CG2-CD1 4.03Å; I517-L521 WeakPolarHBondContact O-CB 3.44Å; I517-L521 WeakPolarHBondContact O-CG 3.05Å; I517-L521 PolarHBondContact O-N 2.86Å; L521-S523 PolarHBondContact O-N 3.22Å; L521-E524 PolarHBondContact O-N 3.02Å; L521-Y527 HydrophobicContact CB-CD1 4.45Å; L521-Y527 HydrophobicContact CB-CD2 3.95Å; L521-Y527 HydrophobicContact CB-CE2 4.24Å; L521-Y527 HydrophobicContact CB-CG 4.06Å; L521-Y527 HydrophobicContact CD1-CD2 4.31Å; L521-Y527 HydrophobicContact CD1-CE2 4.21Å; L521-Y527 HydrophobicContact CD2-CD2 4.2Å; L521-Y527 HydrophobicContact CG-CD2 4.4Å; L521-Y527 WeakPolarHBondContact O-CB 3.32Å; L521-V548 HydrophobicContact CD2-CG1 4.1Å; L521-Y558 HydrophobicContact CD1-CD1 3.43Å; L521-Y558 VanDerWaalsContact CD1-CD1 3.43Å; L521-Y558 HydrophobicContact CD1-CD2 3.94Å; L521-Y558 HydrophobicContact CD1-CE1 3.49Å; L521-Y558 VanDerWaalsContact CD1-CE1 3.49Å; L521-Y558 HydrophobicContact CD1-CE2 3.99Å; L521-Y558 HydrophobicContact CD1-CG 3.65Å; L521-V590 HydrophobicContact CD1-CG2 4.35Å; L521-V590 HydrophobicContact CD2-CB 3.8Å; L521-V590 HydrophobicContact CD2-CG1 3.74Å; L521-V590 HydrophobicContact CD2-CG2 4.32Å; L521-V590 HydrophobicContact CG-CB 4.39Å
522W52.6Low62.7Low177 Ų17770.3 Ų70.367%0.6736%0.358SS*.THydrogen-bonded Turntrans-66.3-12.4174.5-80.9-0.5000115.1K518 Q520 Y527K518-W522 HydrophobicContact CD-CZ2 4.5Å; K518-W522 VanDerWaalsContact CE-CZ2 3.5Å; K518-W522 HydrophobicContact CG-CZ2 4.44Å; K518-W522 VanDerWaalsContact O-CG 3.27Å; K518-W522 PolarHBondContact O-N 3.18Å; K518-W522 VanDerWaalsContact O-N 3.12Å; Q520-W522 PolarHBondContact O-N 2.98Å; W522-Y527 AromaticContact CD1-CD1 3.88Å; W522-Y527 AromaticContact CD1-CE1 3.49Å; W522-Y527 VanDerWaalsContact CD1-CE1 3.49Å; W522-Y527 AromaticContact NE1-CE1 3.78Å
523S50.9Low65Low98 Ų9870.7 Ų70.769%0.68535%0.354SS*.THydrogen-bonded Turntrans-99.9-1.3172.666.70000114.3Q520 L521Q520-S523 PolarHBondContact O-N 2.79Å; Q520-S523 PolarHBondContact O-OG 3.24Å; L521-S523 PolarHBondContact O-N 3.22Å
524E63Low66.8Low35 Ų3575 Ų7516%0.16436%0.363CS..  trans-95122.4-177.8-65.7178.2-152.900111.4L521 C526 Y527 G591L521-E524 PolarHBondContact O-N 3.02Å; E524-C526 PolarHBondContact O-N 2.86Å; E524-Y527 WeakPolarHBondContact O-CB 3.37Å; E524-Y527 PolarHBondContact O-N 3.07Å; E524-G591 WeakPolarHBondContact OE1-CA 3.35Å; E524-G591 PolarHBondContact OE1-N 3.4Å
525E60.7Low68.4Low104 Ų10472.1 Ų72.149%0.48635%0.353SS..THydrogen-bonded Turntrans-57.3-23-176.8-60.1-174.4165.200114.3R618 K619E525-R618 HydrophobicContact CB-CG 4.39Å; E525-R618 IonicContact OE1-CZ 3.31Å; E525-R618 IonicContact OE1-NE 3.89Å; E525-R618 IonicContact OE1-NH2 2.8Å; E525-R618 PolarHBondContact OE1-NH2 3.07Å; E525-R618 IonicContact OE2-CZ 2.68Å; E525-R618 IonicContact OE2-NE 2.98Å; E525-R618 PolarHBondContact OE2-NE 3.39Å; E525-R618 IonicContact OE2-NH2 2.88Å; E525-R618 PolarHBondContact OE2-NH2 2.82Å; E525-K619 PolarHBondContact O-N 3.12Å
526C71.8Confident70.1Confident6 Ų668 Ų684%0.04133%0.326CS..THydrogen-bonded Turntrans-85.1-1.3179.274.80000114.2E524 H528 F546 L547 V548 P616E524-C526 PolarHBondContact O-N 2.86Å; C526-H528 PolarHBondContact O-CD2 3.09Å; C526-F546 HydrophobicContact CB-CD2 4.45Å; C526-F546 HydrophobicContact CB-CE2 3.93Å; C526-L547 WeakPolarHBondContact O-CA 3Å; C526-V548 PolarHBondContact O-N 3.31Å; C526-P616 HydrophobicContact CB-CB 3.72Å
527Y81.4Confident71.7Confident13 Ų1366.7 Ų66.75%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-91.7112.8-178.6-178.4-104.6000112.7L521 W522 E524 V548 Y558L521-Y527 HydrophobicContact CB-CD1 4.45Å; L521-Y527 HydrophobicContact CB-CD2 3.95Å; L521-Y527 HydrophobicContact CB-CE2 4.24Å; L521-Y527 HydrophobicContact CB-CG 4.06Å; L521-Y527 HydrophobicContact CD1-CD2 4.31Å; L521-Y527 HydrophobicContact CD1-CE2 4.21Å; L521-Y527 HydrophobicContact CD2-CD2 4.2Å; L521-Y527 HydrophobicContact CG-CD2 4.4Å; L521-Y527 WeakPolarHBondContact O-CB 3.32Å; W522-Y527 AromaticContact CD1-CD1 3.88Å; W522-Y527 AromaticContact CD1-CE1 3.49Å; W522-Y527 VanDerWaalsContact CD1-CE1 3.49Å; W522-Y527 AromaticContact NE1-CE1 3.78Å; E524-Y527 WeakPolarHBondContact O-CB 3.37Å; E524-Y527 PolarHBondContact O-N 3.07Å; Y527-V548 WeakPolarHBondContact CA-O 3.24Å; Y527-V548 HydrophobicContact CD2-CB 4.13Å; Y527-V548 HydrophobicContact CD2-CG1 3.91Å; Y527-V548 HydrophobicContact CE2-CG1 4.39Å; Y527-Y558 AromaticContact CE2-CD1 3.84Å; Y527-Y558 HydrophobicContact CE2-CD1 3.84Å; Y527-Y558 AromaticContact CE2-CE1 3.75Å; Y527-Y558 HydrophobicContact CE2-CE1 3.75Å
528H76.9Confident72.9Confident29 Ų2970.4 Ų70.413%0.13435%0.348CS..EExtended strand (participates in β ladder)trans-94.5-4.6-175.4-75.5-124000114C526 L531 V548 V617C526-H528 PolarHBondContact O-CD2 3.09Å; H528-L531 HydrophobicContact CB-CB 4.25Å; H528-L531 HydrophobicContact CB-CD2 3.92Å; H528-V548 PolarHBondContact N-O 3.42Å; H528-V617 PolarHBondContact NE2-O 2.84Å
529G80.7Confident74.2Confident14 Ų1468.9 Ų68.914%0.14434%0.343CS..EExtended strand (participates in β ladder)trans73-143.6-17300000112.4L531 R549 E550G529-L531 PolarHBondContact O-N 3.3Å; G529-R549 CarbonylContact O-C 3.55Å; G529-R549 WeakPolarHBondContact O-CA 3.42Å; G529-E550 PolarHBondContact O-N 3.01Å
530K79.3Confident75.7Confident147 Ų14763 Ų6364%0.63932%0.316SS*.EExtended strand (participates in β ladder)trans-75.183.7-178.5-67.5-173.3175.6-1730111.3E550K530-E550 WeakPolarHBondContact CE-OE1 3.44Å; K530-E550 WeakPolarHBondContact CE-OE2 3.25Å; K530-E550 HydrophobicContact CG-CB 4.07Å; K530-E550 HydrophobicContact CG-CG 4.21Å; K530-E550 WeakPolarHBondContact CG-OE2 3.32Å
531L83.1Confident76.8Confident29 Ų2965.5 Ų65.515%0.15234%0.336CS..  trans-106.1133.4178.8-165.266.6000111H528 G529 A535 A536 L539 L547 R549H528-L531 HydrophobicContact CB-CB 4.25Å; H528-L531 HydrophobicContact CB-CD2 3.92Å; G529-L531 PolarHBondContact O-N 3.3Å; L531-A535 HydrophobicContact CD1-CB 3.62Å; L531-A535 HydrophobicContact CG-CB 4.02Å; L531-A536 HydrophobicContact CD2-CB 3.82Å; L531-A536 HydrophobicContact CG-CB 4.36Å; L531-L539 HydrophobicContact CD2-CD1 4.02Å; L531-L547 HydrophobicContact CD2-CD1 3.91Å; L531-L547 HydrophobicContact CD2-CD2 4.1Å; L531-R549 HydrophobicContact CB-CB 3.77Å; L531-R549 WeakPolarHBondContact O-CD 3.3Å; L531-R549 PolarHBondContact O-NH1 3.08Å; L531-R549 VanDerWaalsContact O-NH1 3.13Å
532S83.6Confident77.9Confident59 Ų5971.7 Ų71.741%0.41336%0.362SS..  trans-69.1157.2175.781.50000110.8K534 A535 A536S532-K534 PolarHBondContact O-N 2.93Å; S532-A535 PolarHBondContact O-N 2.97Å; S532-A535 VanDerWaalsContact OG-CB 3.3Å; S532-A535 WeakPolarHBondContact OG-CB 3.44Å; S532-A535 PolarHBondContact OG-N 2.99Å; S532-A536 PolarHBondContact O-N 2.86Å
533R84.7Confident79.4Confident141 Ų14167.3 Ų67.353%0.53235%0.352SS..Hα-helixtrans-55.8-51.7177.9-176.3-177.1161.9163.71.3111.3A535 A536 E537 H570R533-A535 VanDerWaalsContact C-N 3.35Å; R533-A535 PolarHBondContact O-N 2.83Å; R533-A536 WeakPolarHBondContact O-CB 3.43Å; R533-A536 PolarHBondContact O-N 2.8Å; R533-A536 VanDerWaalsContact O-N 3.16Å; R533-E537 HydrophobicContact CG-CG 4.42Å; R533-E537 IonicContact CZ-OE1 3.77Å; R533-E537 VanDerWaalsContact CZ-OE1 3.24Å; R533-E537 IonicContact NE-OE1 2.82Å; R533-E537 PolarHBondContact NE-OE1 3.42Å; R533-E537 IonicContact NE-OE2 3.66Å; R533-E537 IonicContact NH2-OE1 2.72Å; R533-E537 PolarHBondContact NH2-OE1 3.33Å; R533-E537 WeakPolarHBondContact O-CG 3.42Å; R533-E537 PolarHBondContact O-N 3.08Å; R533-H570 WeakPolarHBondContact CG-NE2 3.5Å; R533-H570 PolarHBondContact NE-CD2 2.97Å; R533-H570 PolarHBondContact NE-NE2 3.05Å
534K84Confident80.8Confident164 Ų16462.8 Ų62.871%0.71332%0.321SS*.Hα-helixtrans-60.7-40.2-180-64.5-171.5177.4-173.60113.1S532 E537 S538S532-K534 PolarHBondContact O-N 2.93Å; K534-E537 WeakPolarHBondContact CA-OE2 3.5Å; K534-E537 PolarHBondContact O-N 2.99Å; K534-S538 PolarHBondContact O-N 3.16Å; K534-S538 PolarHBondContact O-OG 3.18Å; K534-S538 VanDerWaalsContact O-OG 3.08Å
535A84.1Confident82Confident35 Ų3561.5 Ų61.529%0.28932%0.315SS..Hα-helixtrans-68.2-35.9177.600000112L531 S532 R533 S538 L539L531-A535 HydrophobicContact CD1-CB 3.62Å; L531-A535 HydrophobicContact CG-CB 4.02Å; S532-A535 PolarHBondContact O-N 2.97Å; S532-A535 VanDerWaalsContact OG-CB 3.3Å; S532-A535 WeakPolarHBondContact OG-CB 3.44Å; S532-A535 PolarHBondContact OG-N 2.99Å; R533-A535 VanDerWaalsContact C-N 3.35Å; R533-A535 PolarHBondContact O-N 2.83Å; A535-S538 PolarHBondContact O-N 3Å; A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 3.39Å
536A86.5Confident83.3Confident0 Ų056.6 Ų56.60%029%0.292CS..Hα-helixtrans-64.8-45.217100000111.8L531 S532 R533 S538 L539 L540 L547L531-A536 HydrophobicContact CD2-CB 3.82Å; L531-A536 HydrophobicContact CG-CB 4.36Å; S532-A536 PolarHBondContact O-N 2.86Å; R533-A536 WeakPolarHBondContact O-CB 3.43Å; R533-A536 PolarHBondContact O-N 2.8Å; R533-A536 VanDerWaalsContact O-N 3.16Å; A536-S538 PolarHBondContact O-N 2.85Å; A536-L539 PolarHBondContact O-N 2.87Å; A536-L539 VanDerWaalsContact O-N 3.09Å; A536-L540 WeakPolarHBondContact O-CG 3.17Å; A536-L540 PolarHBondContact O-N 3.28Å; A536-L547 HydrophobicContact CB-CD1 4Å; A536-L547 HydrophobicContact CB-CD2 4.32Å
537E88.7Confident84.1Confident59 Ų5956.3 Ų56.328%0.27629%0.29SS..Hα-helixtrans-58.6-34176-68.1167.2149.100112.1R533 K534 A568 H570R533-E537 HydrophobicContact CG-CG 4.42Å; R533-E537 IonicContact CZ-OE1 3.77Å; R533-E537 VanDerWaalsContact CZ-OE1 3.24Å; R533-E537 IonicContact NE-OE1 2.82Å; R533-E537 PolarHBondContact NE-OE1 3.42Å; R533-E537 IonicContact NE-OE2 3.66Å; R533-E537 IonicContact NH2-OE1 2.72Å; R533-E537 PolarHBondContact NH2-OE1 3.33Å; R533-E537 WeakPolarHBondContact O-CG 3.42Å; R533-E537 PolarHBondContact O-N 3.08Å; K534-E537 WeakPolarHBondContact CA-OE2 3.5Å; K534-E537 PolarHBondContact O-N 2.99Å; E537-A568 HydrophobicContact CB-CB 4.41Å; E537-A568 HydrophobicContact CG-CB 3.77Å; E537-H570 IonicContact OE1-NE2 3.2Å; E537-H570 PolarHBondContact OE1-NE2 2.92Å
538S85.4Confident84.4Confident97 Ų9755.7 Ų55.768%0.67829%0.288SS*.Hα-helixtrans-77.6-13.7175.9-57.50000115.6K534 A535 A536K534-S538 PolarHBondContact O-N 3.16Å; K534-S538 PolarHBondContact O-OG 3.18Å; K534-S538 VanDerWaalsContact O-OG 3.08Å; A535-S538 PolarHBondContact O-N 3Å; A536-S538 PolarHBondContact O-N 2.85Å
539L84.8Confident84.9Confident42 Ų4255.1 Ų55.122%0.2229%0.285CS..Hα-helixtrans-97.6-5177.4-68.4175.5000113L531 A535 A536 L547 V617L531-L539 HydrophobicContact CD2-CD1 4.02Å; A535-L539 WeakPolarHBondContact O-CG 3.23Å; A535-L539 PolarHBondContact O-N 3.39Å; A536-L539 PolarHBondContact O-N 2.87Å; A536-L539 VanDerWaalsContact O-N 3.09Å; L539-L547 HydrophobicContact CB-CD2 4.1Å; L539-L547 HydrophobicContact CD1-CD2 4.42Å; L539-V617 HydrophobicContact CB-CG1 4.25Å
540L86.7Confident85Confident12 Ų1255.1 Ų55.16%0.06328%0.281CS..  trans-97.6109.9178.2-69172.1000109.3A536 D545 L563 A568 V617A536-L540 WeakPolarHBondContact O-CG 3.17Å; A536-L540 PolarHBondContact O-N 3.28Å; L540-D545 HydrophobicContact CD2-CB 3.8Å; L540-D545 WeakPolarHBondContact CD2-O 3.34Å; L540-L563 HydrophobicContact CB-CB 4.23Å; L540-L563 HydrophobicContact CB-CD1 4.18Å; L540-A568 HydrophobicContact CD1-CB 4.26Å; L540-V617 HydrophobicContact CD2-CG2 4.16Å
541V83Confident84.8Confident114 Ų11448.8 Ų48.869%0.69126%0.255SS*.  trans-115.7-29-168.6-176.30000112.6D545V541-D545 PolarHBondContact N-OD2 3.33Å
542K83.1Confident84Confident131 Ų13150.9 Ų50.957%0.5728%0.276SS*.SBendtrans-125.5148.7-177.6-60178.3-177.2176.10111.4G544 D545 L563K542-G544 PolarHBondContact O-N 3.13Å; K542-D545 PolarHBondContact N-OD2 3.45Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.17Å; K542-D545 PolarHBondContact O-N 2.85Å; K542-L563 WeakPolarHBondContact O-CB 3.29Å
543D84.8Confident83.1Confident84 Ų8453.9 Ų53.945%0.44929%0.292SS..THydrogen-bonded Turntrans-63.6120.7175-78.7-32000111.3Q564 G565 G566D543-Q564 VanDerWaalsContact OD1-C 3.31Å; D543-Q564 VanDerWaalsContact OD1-CA 3.26Å; D543-Q564 WeakPolarHBondContact OD1-CA 3.36Å; D543-G565 VanDerWaalsContact CG-N 3.27Å; D543-G565 PolarHBondContact OD1-N 3.4Å; D543-G565 PolarHBondContact OD2-N 2.82Å; D543-G566 PolarHBondContact OD1-N 3.48Å
544G80.6Confident82.2Confident3 Ų349 Ų493%0.03128%0.279CS..THydrogen-bonded Turntrans97.4-4.3-171.100000115.2K542 L563 K614 Q615K542-G544 PolarHBondContact O-N 3.13Å; G544-L563 PolarHBondContact N-O 3.1Å; G544-K614 PolarHBondContact O-N 3.22Å; G544-Q615 PolarHBondContact O-N 3.26Å
545D88Confident81.3Confident8 Ų846 Ų464%0.04328%0.277CS..EExtended strand (participates in β ladder)trans-61.9140.1163.2-77.3-17.6000109.6L540 V541 K542 G562 L563 Q615 V617L540-D545 HydrophobicContact CD2-CB 3.8Å; L540-D545 WeakPolarHBondContact CD2-O 3.34Å; V541-D545 PolarHBondContact N-OD2 3.33Å; K542-D545 PolarHBondContact N-OD2 3.45Å; K542-D545 VanDerWaalsContact O-CB 3.23Å; K542-D545 WeakPolarHBondContact O-CB 3.17Å; K542-D545 PolarHBondContact O-N 2.85Å; D545-G562 CarbonylContact O-C 3.53Å; D545-G562 WeakPolarHBondContact O-CA 3.35Å; D545-L563 PolarHBondContact O-N 2.94Å; D545-Q615 CarbonylContact C-O 3.56Å; D545-Q615 WeakPolarHBondContact CA-O 3.35Å; D545-Q615 PolarHBondContact OD1-NE2 2.96Å; D545-Q615 VanDerWaalsContact OD1-NE2 3.1Å; D545-V617 HydrophobicContact CB-CG2 3.79Å
546F88.8Confident80.5Confident1 Ų145.7 Ų45.70%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-149.3157.3173.673.3-87.9000114.1C526 L560 S561 I594 M598 L613 Q615 P616 V617C526-F546 HydrophobicContact CB-CD2 4.45Å; C526-F546 HydrophobicContact CB-CE2 3.93Å; F546-L560 HydrophobicContact CB-CD1 4.34Å; F546-L560 HydrophobicContact CD2-CD1 3.77Å; F546-L560 HydrophobicContact CG-CD1 4.42Å; F546-S561 CarbonylContact C-O 3.49Å; F546-S561 VanDerWaalsContact CA-O 3.25Å; F546-S561 WeakPolarHBondContact CA-O 3.33Å; F546-I594 HydrophobicContact CE2-CD1 4.23Å; F546-I594 HydrophobicContact CE2-CG1 4.43Å; F546-I594 HydrophobicContact CE2-CG2 3.66Å; F546-I594 HydrophobicContact CZ-CG2 3.59Å; F546-M598 HydrophobicContact CE1-CE 4.45Å; F546-M598 HydrophobicContact CE1-CG 4.23Å; F546-M598 HydrophobicContact CE1-SD 3.75Å; F546-M598 HydrophobicContact CZ-CG 4.35Å; F546-M598 HydrophobicContact CZ-SD 3.53Å; F546-M598 VanDerWaalsContact CZ-SD 3.53Å; F546-L613 HydrophobicContact CB-CD2 3.79Å; F546-L613 HydrophobicContact CD1-CB 3.83Å; F546-L613 HydrophobicContact CD1-CD2 4Å; F546-L613 HydrophobicContact CD1-CG 4.36Å; F546-L613 HydrophobicContact CD2-CD2 4.35Å; F546-L613 HydrophobicContact CE1-CB 3.88Å; F546-L613 HydrophobicContact CG-CB 4.42Å; F546-L613 HydrophobicContact CG-CD2 3.78Å; F546-L613 HydrophobicContact CG-CG 4.48Å; F546-Q615 VanDerWaalsContact CD1-O 3.29Å; F546-Q615 WeakPolarHBondContact CD1-O 3.22Å; F546-Q615 VanDerWaalsContact CE1-C 3.49Å; F546-Q615 PolarHBondContact N-O 3.06Å; F546-P616 HydrophobicContact CE1-CB 4.21Å; F546-P616 HydrophobicContact CE2-CB 4.24Å; F546-P616 HydrophobicContact CZ-CB 3.79Å; F546-V617 PolarHBondContact O-N 3.28Å
547L88.1Confident80Confident0 Ų049.4 Ų49.40%029%0.294CS..EExtended strand (participates in β ladder)trans-146.7156.917163.687.8000112C526 L531 A536 L539 R549 S561 V617C526-L547 WeakPolarHBondContact O-CA 3Å; L531-L547 HydrophobicContact CD2-CD1 3.91Å; L531-L547 HydrophobicContact CD2-CD2 4.1Å; A536-L547 HydrophobicContact CB-CD1 4Å; A536-L547 HydrophobicContact CB-CD2 4.32Å; L539-L547 HydrophobicContact CB-CD2 4.1Å; L539-L547 HydrophobicContact CD1-CD2 4.42Å; L547-R549 HydrophobicContact CD1-CB 4.12Å; L547-R549 HydrophobicContact CD1-CG 4.33Å; L547-S561 PolarHBondContact N-O 2.76Å; L547-S561 PolarHBondContact O-N 2.97Å; L547-V617 HydrophobicContact CB-CB 4.35Å; L547-V617 HydrophobicContact CD2-CB 4.46Å
548V87.9Confident79.6Confident0 Ų046.8 Ų46.80%028%0.282CS..EExtended strand (participates in β ladder)trans-105.4134.9171.4-176.50000109.8L521 C526 Y527 H528 L560 L573 V590 I594L521-V548 HydrophobicContact CD2-CG1 4.1Å; C526-V548 PolarHBondContact O-N 3.31Å; Y527-V548 WeakPolarHBondContact CA-O 3.24Å; Y527-V548 HydrophobicContact CD2-CB 4.13Å; Y527-V548 HydrophobicContact CD2-CG1 3.91Å; Y527-V548 HydrophobicContact CE2-CG1 4.39Å; H528-V548 PolarHBondContact N-O 3.42Å; V548-L560 HydrophobicContact CG2-CD1 3.92Å; V548-L573 HydrophobicContact CG1-CD1 3.9Å; V548-L573 HydrophobicContact CG2-CD1 4.1Å; V548-V590 HydrophobicContact CG2-CG1 4.24Å; V548-I594 HydrophobicContact CG2-CD1 3.67Å
549R86.3Confident79.6Confident18 Ų1842.9 Ų42.97%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-134.6145.5177.463.3-168.2-176.175.58.5112.4G529 L531 L547 V559 S561G529-R549 CarbonylContact O-C 3.55Å; G529-R549 WeakPolarHBondContact O-CA 3.42Å; L531-R549 HydrophobicContact CB-CB 3.77Å; L531-R549 WeakPolarHBondContact O-CD 3.3Å; L531-R549 PolarHBondContact O-NH1 3.08Å; L531-R549 VanDerWaalsContact O-NH1 3.13Å; L547-R549 HydrophobicContact CD1-CB 4.12Å; L547-R549 HydrophobicContact CD1-CG 4.33Å; R549-V559 HydrophobicContact CG-CB 4.23Å; R549-V559 PolarHBondContact N-O 2.9Å; R549-V559 PolarHBondContact O-N 3.16Å; R549-S561 PolarHBondContact NE-OG 3.19Å
550E83.3Confident79.7Confident13 Ų1341 Ų416%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-71.9136.4165.5-173.2-177.9179.100109G529 K530 A552 G556 Y558G529-E550 PolarHBondContact O-N 3.01Å; K530-E550 WeakPolarHBondContact CE-OE1 3.44Å; K530-E550 WeakPolarHBondContact CE-OE2 3.25Å; K530-E550 HydrophobicContact CG-CB 4.07Å; K530-E550 HydrophobicContact CG-CG 4.21Å; K530-E550 WeakPolarHBondContact CG-OE2 3.32Å; E550-A552 PolarHBondContact O-N 3.38Å; E550-G556 PolarHBondContact OE1-N 2.94Å; E550-Y558 HydrophobicContact CB-CD1 4.46Å; E550-Y558 HydrophobicContact CB-CE1 4.33Å
551S74.4Confident79.8Confident15 Ų1540.4 Ų40.411%0.10524%0.241CC..  trans-69.2120.2-179.6-172.70000111.5T553 S554 Q557S551-T553 PolarHBondContact O-N 2.98Å; S551-T553 PolarHBondContact OG-OG1 2.82Å; S551-S554 CarbonylContact O-C 3.43Å; S551-S554 PolarHBondContact O-N 3.14Å; S551-S554 VanDerWaalsContact O-N 3.12Å; S551-Q557 PolarHBondContact N-O 3.13Å
552A66.9Low80.1Confident72 Ų7235 Ų3560%0.59521%0.209SC*.THydrogen-bonded Turntrans-61.9-23.7-179.900000113.9E550E550-A552 PolarHBondContact O-N 3.38Å
553T65.4Low80.3Confident123 Ų12329.6 Ų29.676%0.75519%0.186SC*.THydrogen-bonded Turntrans-94.5-11.5178.454.90000113.6S551S551-T553 PolarHBondContact O-N 2.98Å; S551-T553 PolarHBondContact OG-OG1 2.82Å
554S64.8Low80.2Confident37 Ų3727.6 Ų27.626%0.25917%0.174SC..SBendtrans-153.383.9-165.9-53.40000110.3S551 Q557S551-S554 CarbonylContact O-C 3.43Å; S551-S554 PolarHBondContact O-N 3.14Å; S551-S554 VanDerWaalsContact O-N 3.12Å; S554-Q557 VanDerWaalsContact CB-CD 3.48Å; S554-Q557 VanDerWaalsContact CB-OE1 3.28Å; S554-Q557 WeakPolarHBondContact O-CB 3.26Å; S554-Q557 PolarHBondContact O-N 3.27Å; S554-Q557 VanDerWaalsContact O-N 3.16Å
555P66.3Low80.2Confident102 Ų10230.1 Ų30.166%0.66220%0.2SC*.THydrogen-bonded Turntrans-60.4140.5-177.226.2-34.5000111.2Q557P555-Q557 VanDerWaalsContact C-N 3.34Å
556G67.3Low79.8Confident28 Ų2832.5 Ų32.529%0.28923%0.226SC..THydrogen-bonded Turntrans87.6-13.2-17300000115.4E550E550-G556 PolarHBondContact OE1-N 2.94Å
557Q74.6Confident79.5Confident78 Ų7839.1 Ų39.136%0.36426%0.257SS..  trans-85.5127.9167.7-69.2-178.9-1.100110.8S551 S554 P555 L572S551-Q557 PolarHBondContact N-O 3.13Å; S554-Q557 VanDerWaalsContact CB-CD 3.48Å; S554-Q557 VanDerWaalsContact CB-OE1 3.28Å; S554-Q557 WeakPolarHBondContact O-CB 3.26Å; S554-Q557 PolarHBondContact O-N 3.27Å; S554-Q557 VanDerWaalsContact O-N 3.16Å; P555-Q557 VanDerWaalsContact C-N 3.34Å; Q557-L572 HydrophobicContact CB-CD1 3.93Å; Q557-L572 HydrophobicContact CG-CD1 4.22Å
558Y81.1Confident79.4Confident5 Ų540.5 Ų40.52%0.0227%0.269CS..EExtended strand (participates in β ladder)trans-105.5136175.1-62.1-75.3000110.9I517 K518 L521 Y527 E550 L573 V574I517-Y558 HydrophobicContact CG2-CD2 4.13Å; I517-Y558 HydrophobicContact CG2-CE2 3.8Å; K518-Y558 WeakPolarHBondContact CA-OH 3.41Å; K518-Y558 VanDerWaalsContact CB-OH 3.27Å; K518-Y558 WeakPolarHBondContact CB-OH 3.24Å; L521-Y558 HydrophobicContact CD1-CD1 3.43Å; L521-Y558 VanDerWaalsContact CD1-CD1 3.43Å; L521-Y558 HydrophobicContact CD1-CD2 3.94Å; L521-Y558 HydrophobicContact CD1-CE1 3.49Å; L521-Y558 VanDerWaalsContact CD1-CE1 3.49Å; L521-Y558 HydrophobicContact CD1-CE2 3.99Å; L521-Y558 HydrophobicContact CD1-CG 3.65Å; Y527-Y558 AromaticContact CE2-CD1 3.84Å; Y527-Y558 HydrophobicContact CE2-CD1 3.84Å; Y527-Y558 AromaticContact CE2-CE1 3.75Å; Y527-Y558 HydrophobicContact CE2-CE1 3.75Å; E550-Y558 HydrophobicContact CB-CD1 4.46Å; E550-Y558 HydrophobicContact CB-CE1 4.33Å; Y558-L573 WeakPolarHBondContact O-CB 3.48Å; Y558-L573 PolarHBondContact O-N 2.83Å; Y558-V574 HydrophobicContact CD2-CG2 3.92Å
559V85.6Confident79.3Confident15 Ų1542.4 Ų42.49%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-126119.9-176.1-178.60000109.3R549 H570 L571 L572R549-V559 HydrophobicContact CG-CB 4.23Å; R549-V559 PolarHBondContact N-O 2.9Å; R549-V559 PolarHBondContact O-N 3.16Å; V559-H570 HydrophobicContact CG1-CB 3.91Å; V559-L571 CarbonylContact C-O 3.43Å; V559-L571 WeakPolarHBondContact CA-O 3.38Å; V559-L572 HydrophobicContact CG2-CD1 4.25Å
560L87.9Confident79.2Confident1 Ų143.9 Ų43.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-74.8130.7166.3-173.662.2000108.4F546 V548 H570 L571 L573 L593 I604 L613F546-L560 HydrophobicContact CB-CD1 4.34Å; F546-L560 HydrophobicContact CD2-CD1 3.77Å; F546-L560 HydrophobicContact CG-CD1 4.42Å; V548-L560 HydrophobicContact CG2-CD1 3.92Å; L560-H570 CarbonylContact O-C 3.58Å; L560-H570 VanDerWaalsContact O-CA 3.32Å; L560-H570 WeakPolarHBondContact O-CA 3.37Å; L560-L571 HydrophobicContact CB-CB 4.38Å; L560-L571 PolarHBondContact N-O 2.94Å; L560-L571 PolarHBondContact O-N 2.82Å; L560-L573 HydrophobicContact CB-CD1 3.84Å; L560-L573 HydrophobicContact CB-CD2 3.92Å; L560-L573 HydrophobicContact CB-CG 3.81Å; L560-L573 HydrophobicContact CD2-CD2 4.23Å; L560-L593 HydrophobicContact CD2-CD2 4.49Å; L560-I604 HydrophobicContact CD2-CD1 3.43Å; L560-I604 VanDerWaalsContact CD2-CD1 3.43Å; L560-L613 HydrophobicContact CD1-CD2 4.43Å; L560-L613 HydrophobicContact CD2-CD1 4.1Å; L560-L613 HydrophobicContact CD2-CD2 3.96Å; L560-L613 HydrophobicContact CG-CD2 4.46Å
561S87.6Confident79.2Confident0 Ų044.2 Ų44.20%029%0.287CS..EExtended strand (participates in β ladder)trans-125.3122177.3-560000108.3F546 L547 R549 K569 H570F546-S561 CarbonylContact C-O 3.49Å; F546-S561 VanDerWaalsContact CA-O 3.25Å; F546-S561 WeakPolarHBondContact CA-O 3.33Å; L547-S561 PolarHBondContact N-O 2.76Å; L547-S561 PolarHBondContact O-N 2.97Å; R549-S561 PolarHBondContact NE-OG 3.19Å; S561-K569 WeakPolarHBondContact CA-O 3.25Å; S561-H570 WeakPolarHBondContact CB-ND1 3.48Å; S561-H570 PolarHBondContact OG-ND1 2.84Å
562G90.1Very high79.5Confident1 Ų148.1 Ų48.11%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-146.5159.1-177.800000113D545 K569D545-G562 CarbonylContact O-C 3.53Å; D545-G562 WeakPolarHBondContact O-CA 3.35Å; G562-K569 PolarHBondContact N-O 3.35Å; G562-K569 PolarHBondContact O-N 3.31Å
563L86.5Confident79.9Confident18 Ų1845 Ų459%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-100.8130.3-178.4-154.676.2000111L540 K542 G544 D545 A568L540-L563 HydrophobicContact CB-CB 4.23Å; L540-L563 HydrophobicContact CB-CD1 4.18Å; K542-L563 WeakPolarHBondContact O-CB 3.29Å; G544-L563 PolarHBondContact N-O 3.1Å; D545-L563 PolarHBondContact O-N 2.94Å; L563-A568 HydrophobicContact CD1-CB 4.09Å
564Q83.5Confident80.2Confident42 Ų4239.4 Ų39.420%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-148.1123.7167.1-174.3168.2-8.700111.9D543 Q567 K569 E610 S612D543-Q564 VanDerWaalsContact OD1-C 3.31Å; D543-Q564 VanDerWaalsContact OD1-CA 3.26Å; D543-Q564 WeakPolarHBondContact OD1-CA 3.36Å; Q564-Q567 PolarHBondContact N-O 2.92Å; Q564-K569 HydrophobicContact CB-CD 4.38Å; Q564-E610 PolarHBondContact NE2-OE1 2.72Å; Q564-E610 PolarHBondContact OE1-O 2.94Å; Q564-S612 PolarHBondContact NE2-OG 3.39Å; Q564-S612 PolarHBondContact OE1-OG 3.39Å
565G79.8Confident80.2Confident56 Ų5640.2 Ų40.258%0.57725%0.246SC*.THydrogen-bonded Turntrans71.534-174.800000112.3D543 Q567D543-G565 VanDerWaalsContact CG-N 3.27Å; D543-G565 PolarHBondContact OD1-N 3.4Å; D543-G565 PolarHBondContact OD2-N 2.82Å; G565-Q567 PolarHBondContact O-N 2.88Å; G565-Q567 VanDerWaalsContact O-N 3.15Å
566G80.5Confident79.7Confident58 Ų5841.2 Ų41.260%0.59825%0.253SS*.THydrogen-bonded Turntrans67.75.8-174.100000114.9D543D543-G566 PolarHBondContact OD1-N 3.48Å
567Q82.1Confident79.1Confident139 Ų13947 Ų4765%0.6527%0.272SS*.EExtended strand (participates in β ladder)trans-110.2130.4178.9-71.2-17982.400110.8Q564 G565Q564-Q567 PolarHBondContact N-O 2.92Å; G565-Q567 PolarHBondContact O-N 2.88Å; G565-Q567 VanDerWaalsContact O-N 3.15Å
568A84.8Confident78.4Confident30 Ų3044.1 Ų44.125%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-79.5129.9175.900000110.8E537 L540 L563E537-A568 HydrophobicContact CB-CB 4.41Å; E537-A568 HydrophobicContact CG-CB 3.77Å; L540-A568 HydrophobicContact CD1-CB 4.26Å; L563-A568 HydrophobicContact CD1-CB 4.09Å
569K86Confident77.5Confident40 Ų4050.3 Ų50.317%0.17429%0.291CS..EExtended strand (participates in β ladder)trans-122.6141-174.5-63.2175.4178.7-155.30109.1S561 G562 Q564 S609 E610 V611S561-K569 WeakPolarHBondContact CA-O 3.25Å; G562-K569 PolarHBondContact N-O 3.35Å; G562-K569 PolarHBondContact O-N 3.31Å; Q564-K569 HydrophobicContact CB-CD 4.38Å; K569-S609 WeakPolarHBondContact CD-OG 3.4Å; K569-S609 WeakPolarHBondContact CE-OG 3.38Å; K569-S609 PolarHBondContact NZ-OG 3.46Å; K569-E610 WeakPolarHBondContact CD-O 3.43Å; K569-E610 WeakPolarHBondContact CE-O 3.45Å; K569-E610 PolarHBondContact NZ-O 3.29Å; K569-V611 HydrophobicContact CB-CG2 3.68Å; K569-V611 HydrophobicContact CD-CG2 3.72Å; K569-V611 HydrophobicContact CG-CG2 4.35Å
570H86Confident76.7Confident48 Ų4849.6 Ų49.622%0.22229%0.287CS..EExtended strand (participates in β ladder)trans-127.2124-176.5-55.1-66.2000110.2R533 E537 V559 L560 S561R533-H570 WeakPolarHBondContact CG-NE2 3.5Å; R533-H570 PolarHBondContact NE-CD2 2.97Å; R533-H570 PolarHBondContact NE-NE2 3.05Å; E537-H570 IonicContact OE1-NE2 3.2Å; E537-H570 PolarHBondContact OE1-NE2 2.92Å; V559-H570 HydrophobicContact CG1-CB 3.91Å; L560-H570 CarbonylContact O-C 3.58Å; L560-H570 VanDerWaalsContact O-CA 3.32Å; L560-H570 WeakPolarHBondContact O-CA 3.37Å; S561-H570 WeakPolarHBondContact CB-ND1 3.48Å; S561-H570 PolarHBondContact OG-ND1 2.84Å
571L82.1Confident75.6Confident21 Ų2156.3 Ų56.311%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-119.8127-178.7-55.5-179.6000109.2V559 L560 I604 V611V559-L571 CarbonylContact C-O 3.43Å; V559-L571 WeakPolarHBondContact CA-O 3.38Å; L560-L571 HydrophobicContact CB-CB 4.38Å; L560-L571 PolarHBondContact N-O 2.94Å; L560-L571 PolarHBondContact O-N 2.82Å; L571-I604 HydrophobicContact CD1-CB 3.96Å; L571-I604 HydrophobicContact CD1-CD1 4.48Å; L571-I604 HydrophobicContact CD1-CG2 3.53Å; L571-V611 HydrophobicContact CD1-CB 4.11Å; L571-V611 HydrophobicContact CD1-CG2 3.82Å; L571-V611 HydrophobicContact CG-CG2 4.21Å
572L81.4Confident74.8Confident96 Ų9657.6 Ų57.650%0.50332%0.32SS..EExtended strand (participates in β ladder)trans-69.4129.6169.9-175.368.4000108.4Q557 V559Q557-L572 HydrophobicContact CB-CD1 3.93Å; Q557-L572 HydrophobicContact CG-CD1 4.22Å; V559-L572 HydrophobicContact CG2-CD1 4.25Å
573L74.8Confident73.5Confident6 Ų664.4 Ų64.43%0.03135%0.349CS..  trans-99.3-16.6-175.4-74.4172.5000114.2V548 Y558 L560 V580 V590 L593V548-L573 HydrophobicContact CG1-CD1 3.9Å; V548-L573 HydrophobicContact CG2-CD1 4.1Å; Y558-L573 WeakPolarHBondContact O-CB 3.48Å; Y558-L573 PolarHBondContact O-N 2.83Å; L560-L573 HydrophobicContact CB-CD1 3.84Å; L560-L573 HydrophobicContact CB-CD2 3.92Å; L560-L573 HydrophobicContact CB-CG 3.81Å; L560-L573 HydrophobicContact CD2-CD2 4.23Å; L573-V580 WeakPolarHBondContact O-CA 3.44Å; L573-V590 HydrophobicContact CB-CG2 4.5Å; L573-V590 HydrophobicContact CD1-CG1 3.68Å; L573-V590 HydrophobicContact CD1-CG2 4.3Å; L573-L593 HydrophobicContact CD2-CD1 3.83Å; L573-L593 HydrophobicContact CD2-CD2 4.03Å
574V70.9Confident72.2Confident7 Ų768.3 Ų68.34%0.04237%0.37CS..  trans-130.7119.6-171.9172.70000109.8Y558 K579 V580Y558-V574 HydrophobicContact CD2-CG2 3.92Å; V574-K579 WeakPolarHBondContact CA-O 3.35Å; V574-V580 HydrophobicContact CG2-CG2 4.08Å
575D64.6Low71.5Confident53 Ų5370.7 Ų70.728%0.28338%0.381SS..  trans-65.8159.5172.3-69.7-38000111.3E577 G578 K579 R581D575-E577 PolarHBondContact O-N 2.95Å; D575-E577 VanDerWaalsContact O-N 3.1Å; D575-G578 PolarHBondContact O-N 3.43Å; D575-K579 PolarHBondContact N-O 3.12Å; D575-R581 WeakPolarHBondContact OD2-CD 3.46Å; D575-R581 WeakPolarHBondContact OD2-CG 3.4Å
576P56.6Low71.2Confident124 Ų12472.1 Ų72.181%0.80538%0.378SS*.THydrogen-bonded Turntrans-57.7-22.8174.920.5-29.7000114G578P576-G578 PolarHBondContact O-N 3.18Å
577E55.5Low71Confident148 Ų14869.8 Ų69.869%0.69235%0.352SS*.THydrogen-bonded Turntrans-79.51.3172.7-60.970.1-150.900113.9D575D575-E577 PolarHBondContact O-N 2.95Å; D575-E577 VanDerWaalsContact O-N 3.1Å
578G59.3Low70.3Confident18 Ų1869 Ų6919%0.18635%0.352CS..SBendtrans80.910.8175.600000115.6I517 D575 P576I517-G578 WeakPolarHBondContact CD1-O 3.48Å; D575-G578 PolarHBondContact O-N 3.43Å; P576-G578 PolarHBondContact O-N 3.18Å
579K62Low69.8Low135 Ų13569.7 Ų69.759%0.58735%0.352SS*.  trans-97.5155.6178.5-67.5-166.9175.2-1700112.5V574 D575V574-K579 WeakPolarHBondContact CA-O 3.35Å; D575-K579 PolarHBondContact N-O 3.12Å
580V69.4Low69.4Low1 Ų168 Ų681%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-98.2111.4176.6179.90000109.4L573 V574 F587 V590 L593L573-V580 WeakPolarHBondContact O-CA 3.44Å; V574-V580 HydrophobicContact CG2-CG2 4.08Å; V580-F587 HydrophobicContact CB-CB 4.44Å; V580-F587 HydrophobicContact CG1-CB 4.14Å; V580-F587 PolarHBondContact O-N 2.74Å; V580-V590 HydrophobicContact CG1-CG2 4.45Å; V580-V590 HydrophobicContact CG2-CG2 3.67Å; V580-L593 HydrophobicContact CG1-CB 4.1Å; V580-L593 HydrophobicContact CG1-CD1 3.52Å; V580-L593 HydrophobicContact CG1-CG 4.48Å
581R65.2Low68.9Low142 Ų14266.4 Ų66.454%0.53634%0.341SS..EExtended strand (participates in β ladder)trans-129.6136.9-179.1-58.1-172.573.3171.6-0.5110.8D575 V586D575-R581 WeakPolarHBondContact OD2-CD 3.46Å; D575-R581 WeakPolarHBondContact OD2-CG 3.4Å; R581-V586 HydrophobicContact CG-CG1 4.27Å; R581-V586 HydrophobicContact CG-CG2 4.14Å
582T69.4Low68.8Low27 Ų2769.6 Ų69.617%0.16636%0.355CS..  trans-97.4176.9156.167.40000109D584 H585 F587 L593 I604T582-D584 PolarHBondContact O-N 3.14Å; T582-H585 PolarHBondContact N-O 2.86Å; T582-H585 PolarHBondContact OG1-N 3.48Å; T582-H585 PolarHBondContact OG1-O 3.29Å; T582-F587 HydrophobicContact CG2-CD2 4.37Å; T582-F587 HydrophobicContact CG2-CE2 3.85Å; T582-L593 HydrophobicContact CG2-CD1 3.6Å; T582-L593 HydrophobicContact CG2-CG 4.23Å; T582-I604 HydrophobicContact CG2-CG2 4.07Å
583K63.1Low68.9Low144 Ų14465.1 Ų65.163%0.62633%0.332SS*.SBendtrans-54.4-38177.8178-177.6150.9-69.10113
584D60.3Low69.3Low99 Ų9965.3 Ų65.353%0.52933%0.333SS..SBendtrans-118.2-15.1-167.5-56.8-66.1000113.4T582T582-D584 PolarHBondContact O-N 3.14Å
585H68.4Low69.8Low92 Ų9273 Ų7343%0.42636%0.361SS..  trans-135.5150.2178.7-67.5-78.1000113T582 F587T582-H585 PolarHBondContact N-O 2.86Å; T582-H585 PolarHBondContact OG1-N 3.48Å; T582-H585 PolarHBondContact OG1-O 3.29Å; H585-F587 HydrophobicContact CB-CD2 4.43Å; H585-F587 HydrophobicContact CB-CE2 3.58Å; H585-F587 HydrophobicContact CB-CZ 3.65Å
586V72.4Confident70.6Confident87 Ų8773.6 Ų73.653%0.52736%0.36SS..EExtended strand (participates in β ladder)trans-106.6135.5170.3-179.40000108.2R581R581-V586 HydrophobicContact CG-CG1 4.27Å; R581-V586 HydrophobicContact CG-CG2 4.14Å
587F75.8Confident71.7Confident9 Ų968 Ų684%0.03932%0.323CS..EExtended strand (participates in β ladder)trans-121.7144177.5-59.6-86.2000109.6V580 T582 H585 N589 L593 Y596 H597V580-F587 HydrophobicContact CB-CB 4.44Å; V580-F587 HydrophobicContact CG1-CB 4.14Å; V580-F587 PolarHBondContact O-N 2.74Å; T582-F587 HydrophobicContact CG2-CD2 4.37Å; T582-F587 HydrophobicContact CG2-CE2 3.85Å; H585-F587 HydrophobicContact CB-CD2 4.43Å; H585-F587 HydrophobicContact CB-CE2 3.58Å; H585-F587 HydrophobicContact CB-CZ 3.65Å; F587-N589 VanDerWaalsContact C-N 3.29Å; F587-N589 PolarHBondContact O-N 2.84Å; F587-L593 HydrophobicContact CB-CB 4.03Å; F587-L593 HydrophobicContact CD1-CB 4.17Å; F587-L593 HydrophobicContact CD2-CB 3.73Å; F587-L593 HydrophobicContact CD2-CD1 3.85Å; F587-L593 HydrophobicContact CD2-CG 3.89Å; F587-L593 HydrophobicContact CE2-CB 4.23Å; F587-L593 HydrophobicContact CE2-CD1 4.23Å; F587-L593 HydrophobicContact CE2-CG 4.05Å; F587-L593 HydrophobicContact CG-CB 3.69Å; F587-L593 HydrophobicContact CG-CG 4.37Å; F587-Y596 AromaticContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD2 4.29Å; F587-Y596 AromaticContact CE1-CG 3.64Å; F587-Y596 HydrophobicContact CE1-CG 3.64Å; F587-Y596 AromaticContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CE1 4.24Å; F587-Y596 HydrophobicContact CZ-CG 4.06Å; F587-H597 AromaticContact CE2-CE1 3.78Å; F587-H597 AromaticContact CZ-CE1 3.57Å
588D67.9Low72.9Confident123 Ų12363.7 Ų63.766%0.65830%0.304SS*.SBendtrans-69.7-33.4179.3-38.2-85.5000111.1H592D588-H592 IonicContact OD2-CE1 3.97Å; D588-H592 IonicContact OD2-ND1 3.1Å; D588-H592 PolarHBondContact OD2-ND1 3.02Å
589N74.3Confident74Confident44 Ų4468.4 Ų68.424%0.23532%0.324CS..SBendtrans-144.8154-170.6-68.1-53000111.9Q520 F587 H592 L593Q520-N589 VanDerWaalsContact NE2-CG 3.3Å; Q520-N589 PolarHBondContact NE2-ND2 2.85Å; Q520-N589 VanDerWaalsContact OE1-CG 3.25Å; Q520-N589 PolarHBondContact OE1-OD1 3.38Å; F587-N589 VanDerWaalsContact C-N 3.29Å; F587-N589 PolarHBondContact O-N 2.84Å; N589-H592 HydrophobicContact CB-CB 4.34Å; N589-H592 WeakPolarHBondContact O-CB 3.21Å; N589-H592 PolarHBondContact O-N 2.91Å; N589-H592 VanDerWaalsContact O-N 3.1Å; N589-L593 PolarHBondContact O-N 3.43Å; N589-L593 VanDerWaalsContact O-N 3.15Å
590V77.4Confident74.8Confident3 Ų366.3 Ų66.32%0.01832%0.32CS..Hα-helixtrans-62.1-45.5177.9177.30000111.9L521 V548 L573 V580 H592 L593 I594L521-V590 HydrophobicContact CD1-CG2 4.35Å; L521-V590 HydrophobicContact CD2-CB 3.8Å; L521-V590 HydrophobicContact CD2-CG1 3.74Å; L521-V590 HydrophobicContact CD2-CG2 4.32Å; L521-V590 HydrophobicContact CG-CB 4.39Å; V548-V590 HydrophobicContact CG2-CG1 4.24Å; L573-V590 HydrophobicContact CB-CG2 4.5Å; L573-V590 HydrophobicContact CD1-CG1 3.68Å; L573-V590 HydrophobicContact CD1-CG2 4.3Å; V580-V590 HydrophobicContact CG1-CG2 4.45Å; V580-V590 HydrophobicContact CG2-CG2 3.67Å; V590-H592 PolarHBondContact O-N 3.3Å; V590-L593 WeakPolarHBondContact O-CA 3.35Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 3.1Å; V590-L593 VanDerWaalsContact O-N 3.08Å; V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 HydrophobicContact CG1-CG1 4.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.31Å; V590-I594 PolarHBondContact O-N 3.28Å
591G76.9Confident75.2Confident15 Ų1570.9 Ų70.916%0.15535%0.352CS..Hα-helixtrans-61.1-24.817400000114.7E524 R595E524-G591 WeakPolarHBondContact OE1-CA 3.35Å; E524-G591 PolarHBondContact OE1-N 3.4Å; G591-R595 VanDerWaalsContact O-CB 3.23Å; G591-R595 WeakPolarHBondContact O-CB 3.38Å; G591-R595 PolarHBondContact O-N 3.05Å
592H79.5Confident76Confident89 Ų8967.5 Ų67.541%0.41234%0.344SS..Hα-helixtrans-71.6-46.5171.9-172.1-172.6000110.1D588 N589 V590 I594 Y596D588-H592 IonicContact OD2-CE1 3.97Å; D588-H592 IonicContact OD2-ND1 3.1Å; D588-H592 PolarHBondContact OD2-ND1 3.02Å; N589-H592 HydrophobicContact CB-CB 4.34Å; N589-H592 WeakPolarHBondContact O-CB 3.21Å; N589-H592 PolarHBondContact O-N 2.91Å; N589-H592 VanDerWaalsContact O-N 3.1Å; V590-H592 PolarHBondContact O-N 3.3Å; H592-I594 VanDerWaalsContact C-N 3.35Å; H592-I594 PolarHBondContact O-N 3Å; H592-Y596 VanDerWaalsContact O-CB 3.24Å; H592-Y596 WeakPolarHBondContact O-CB 3.49Å; H592-Y596 PolarHBondContact O-N 3.15Å
593L83.3Confident76.5Confident1 Ų168.1 Ų68.11%0.00535%0.348CS..Hα-helixtrans-56.1-47.4172.4178.3158.9000111.6L560 L573 V580 T582 F587 N589 V590 H597 I604L560-L593 HydrophobicContact CD2-CD2 4.49Å; L573-L593 HydrophobicContact CD2-CD1 3.83Å; L573-L593 HydrophobicContact CD2-CD2 4.03Å; V580-L593 HydrophobicContact CG1-CB 4.1Å; V580-L593 HydrophobicContact CG1-CD1 3.52Å; V580-L593 HydrophobicContact CG1-CG 4.48Å; T582-L593 HydrophobicContact CG2-CD1 3.6Å; T582-L593 HydrophobicContact CG2-CG 4.23Å; F587-L593 HydrophobicContact CB-CB 4.03Å; F587-L593 HydrophobicContact CD1-CB 4.17Å; F587-L593 HydrophobicContact CD2-CB 3.73Å; F587-L593 HydrophobicContact CD2-CD1 3.85Å; F587-L593 HydrophobicContact CD2-CG 3.89Å; F587-L593 HydrophobicContact CE2-CB 4.23Å; F587-L593 HydrophobicContact CE2-CD1 4.23Å; F587-L593 HydrophobicContact CE2-CG 4.05Å; F587-L593 HydrophobicContact CG-CB 3.69Å; F587-L593 HydrophobicContact CG-CG 4.37Å; N589-L593 PolarHBondContact O-N 3.43Å; N589-L593 VanDerWaalsContact O-N 3.15Å; V590-L593 WeakPolarHBondContact O-CA 3.35Å; V590-L593 WeakPolarHBondContact O-CB 3Å; V590-L593 PolarHBondContact O-N 3.1Å; V590-L593 VanDerWaalsContact O-N 3.08Å; L593-H597 PolarHBondContact O-N 3.37Å; L593-H597 PolarHBondContact O-ND1 2.81Å; L593-I604 HydrophobicContact CD2-CD1 3.82Å
594I82.2Confident77.3Confident11 Ų1161.7 Ų61.76%0.05632%0.32CS..Hα-helixtrans-65.3-51.4-177.8-68.7170.5000110.8F546 V548 V590 H592 Y596 H597 M598 L613F546-I594 HydrophobicContact CE2-CD1 4.23Å; F546-I594 HydrophobicContact CE2-CG1 4.43Å; F546-I594 HydrophobicContact CE2-CG2 3.66Å; F546-I594 HydrophobicContact CZ-CG2 3.59Å; V548-I594 HydrophobicContact CG2-CD1 3.67Å; V590-I594 HydrophobicContact CG1-CD1 3.71Å; V590-I594 HydrophobicContact CG1-CG1 4.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.31Å; V590-I594 PolarHBondContact O-N 3.28Å; H592-I594 VanDerWaalsContact C-N 3.35Å; H592-I594 PolarHBondContact O-N 3Å; I594-Y596 VanDerWaalsContact C-N 3.33Å; I594-Y596 PolarHBondContact O-N 3.1Å; I594-H597 PolarHBondContact O-N 3.2Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 3.78Å; I594-M598 WeakPolarHBondContact O-CB 3.23Å; I594-M598 WeakPolarHBondContact O-CG 3.1Å; I594-M598 PolarHBondContact O-N 3.38Å; I594-L613 HydrophobicContact CB-CD1 4.49Å; I594-L613 HydrophobicContact CG1-CD1 4.26Å; I594-L613 HydrophobicContact CG2-CD1 4.4Å
595R81.8Confident78Confident168 Ų16860.9 Ų60.963%0.63432%0.315SS*.Hα-helixtrans-57.9-45.4177.9178.8170.7-76.7127.10.1111.6G591 H597 M598 D599G591-R595 VanDerWaalsContact O-CB 3.23Å; G591-R595 WeakPolarHBondContact O-CB 3.38Å; G591-R595 PolarHBondContact O-N 3.05Å; R595-H597 PolarHBondContact O-N 3.08Å; R595-M598 PolarHBondContact O-N 3.21Å; R595-D599 WeakPolarHBondContact CG-OD2 3.45Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.38Å; R595-D599 VanDerWaalsContact O-CG 3.23Å; R595-D599 PolarHBondContact O-N 2.96Å
596Y81.8Confident78Confident66 Ų6658.9 Ų58.926%0.25931%0.312SS..Hα-helixtrans-57.7-45.4179.6179.7-92.7000112.8F587 H592 I594 N600 L602F587-Y596 AromaticContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD1 3.79Å; F587-Y596 HydrophobicContact CE1-CD2 4.29Å; F587-Y596 AromaticContact CE1-CG 3.64Å; F587-Y596 HydrophobicContact CE1-CG 3.64Å; F587-Y596 AromaticContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CD1 3.69Å; F587-Y596 HydrophobicContact CZ-CE1 4.24Å; F587-Y596 HydrophobicContact CZ-CG 4.06Å; H592-Y596 VanDerWaalsContact O-CB 3.24Å; H592-Y596 WeakPolarHBondContact O-CB 3.49Å; H592-Y596 PolarHBondContact O-N 3.15Å; I594-Y596 VanDerWaalsContact C-N 3.33Å; I594-Y596 PolarHBondContact O-N 3.1Å; Y596-N600 WeakPolarHBondContact O-CB 3.14Å; Y596-N600 PolarHBondContact O-N 3.03Å; Y596-N600 PolarHBondContact O-ND2 2.99Å; Y596-L602 HydrophobicContact CE1-CD1 3.89Å
597H80.4Confident77.2Confident7 Ų760.8 Ų60.83%0.03233%0.329CS..Hα-helixtrans-76.1-31.3-179.3-67.789.4000112.7F587 L593 I594 R595 S601 L602 I604 L613F587-H597 AromaticContact CE2-CE1 3.78Å; F587-H597 AromaticContact CZ-CE1 3.57Å; L593-H597 PolarHBondContact O-N 3.37Å; L593-H597 PolarHBondContact O-ND1 2.81Å; I594-H597 PolarHBondContact O-N 3.2Å; R595-H597 PolarHBondContact O-N 3.08Å; H597-S601 CarbonylContact O-C 3.56Å; H597-S601 VanDerWaalsContact O-CA 3.26Å; H597-S601 WeakPolarHBondContact O-CA 3.48Å; H597-S601 PolarHBondContact O-N 2.89Å; H597-S601 VanDerWaalsContact O-N 3.14Å; H597-L602 WeakPolarHBondContact CB-O 3.44Å; H597-L602 PolarHBondContact CD2-O 3.29Å; H597-L602 PolarHBondContact O-N 3.4Å; H597-I604 HydrophobicContact CB-CG1 4.31Å; H597-I604 VanDerWaalsContact CD2-CG1 3.42Å; H597-I604 WeakPolarHBondContact CD2-CG1 3.31Å; H597-L613 HydrophobicContact CB-CD1 4.22Å; H597-L613 HydrophobicContact CB-CG 4.39Å
598M81Confident76.5Confident57 Ų5764.2 Ų64.228%0.28137%0.367SS..Hα-helixtrans-68.7-55172.6-72.9-177.768.200112.2F546 I594 R595 N600 S601 L613F546-M598 HydrophobicContact CE1-CE 4.45Å; F546-M598 HydrophobicContact CE1-CG 4.23Å; F546-M598 HydrophobicContact CE1-SD 3.75Å; F546-M598 HydrophobicContact CZ-CG 4.35Å; F546-M598 HydrophobicContact CZ-SD 3.53Å; F546-M598 VanDerWaalsContact CZ-SD 3.53Å; I594-M598 HydrophobicContact CG2-CG 4.36Å; I594-M598 HydrophobicContact CG2-SD 3.78Å; I594-M598 WeakPolarHBondContact O-CB 3.23Å; I594-M598 WeakPolarHBondContact O-CG 3.1Å; I594-M598 PolarHBondContact O-N 3.38Å; R595-M598 PolarHBondContact O-N 3.21Å; M598-N600 VanDerWaalsContact C-N 3.34Å; M598-N600 PolarHBondContact O-N 2.99Å; M598-S601 PolarHBondContact O-N 2.91Å; M598-L613 HydrophobicContact CG-CB 3.96Å
599D81.6Confident76.3Confident117 Ų11760.4 Ų60.463%0.62635%0.35SS*.Hα-helixtrans-63.9-39.3-172.6-67-1000111.5R595 S601R595-D599 WeakPolarHBondContact CG-OD2 3.45Å; R595-D599 VanDerWaalsContact O-CB 3.31Å; R595-D599 WeakPolarHBondContact O-CB 3.38Å; R595-D599 VanDerWaalsContact O-CG 3.23Å; R595-D599 PolarHBondContact O-N 2.96Å; D599-S601 VanDerWaalsContact C-N 3.34Å
600N78.5Confident76.5Confident91 Ų9162.1 Ų62.149%0.48736%0.356SS..THydrogen-bonded Turntrans-86.1-3.2175.1-61.2-81.8000113.2Y596 M598 L602Y596-N600 WeakPolarHBondContact O-CB 3.14Å; Y596-N600 PolarHBondContact O-N 3.03Å; Y596-N600 PolarHBondContact O-ND2 2.99Å; M598-N600 VanDerWaalsContact C-N 3.34Å; M598-N600 PolarHBondContact O-N 2.99Å; N600-L602 HydrophobicContact CB-CB 4.41Å; N600-L602 HydrophobicContact CB-CD1 3.71Å; N600-L602 HydrophobicContact CB-CG 3.72Å; N600-L602 PolarHBondContact O-N 3.06Å; N600-L602 VanDerWaalsContact O-N 3.13Å
601S78.1Confident76.8Confident97 Ų9762.1 Ų62.168%0.67836%0.356SS*.THydrogen-bonded Turntrans51.128.9-171.3-65.30000114.4H597 M598 D599H597-S601 CarbonylContact O-C 3.56Å; H597-S601 VanDerWaalsContact O-CA 3.26Å; H597-S601 WeakPolarHBondContact O-CA 3.48Å; H597-S601 PolarHBondContact O-N 2.89Å; H597-S601 VanDerWaalsContact O-N 3.14Å; M598-S601 PolarHBondContact O-N 2.91Å; D599-S601 VanDerWaalsContact C-N 3.34Å
602L81.3Confident77.1Confident71 Ų7162.3 Ų62.337%0.37236%0.355SS..PPolyproline II helixtrans-84.2137.1-176.8-72.6173.2000111.3Y596 H597 N600Y596-L602 HydrophobicContact CE1-CD1 3.89Å; H597-L602 WeakPolarHBondContact CB-O 3.44Å; H597-L602 PolarHBondContact CD2-O 3.29Å; H597-L602 PolarHBondContact O-N 3.4Å; N600-L602 HydrophobicContact CB-CB 4.41Å; N600-L602 HydrophobicContact CB-CD1 3.71Å; N600-L602 HydrophobicContact CB-CG 3.72Å; N600-L602 PolarHBondContact O-N 3.06Å; N600-L602 VanDerWaalsContact O-N 3.13Å
603P80.3Confident77.3Confident39 Ų3958.3 Ų58.325%0.25334%0.337SS..EExtended strand (participates in β ladder)trans-76.1142.917329.2-32.1000112.7I605 E610P603-I605 PolarHBondContact O-N 3.4Å; P603-E610 HydrophobicContact CB-CG 3.24Å; P603-E610 HydrophobicContact CG-CG 3.9Å
604I80.3Confident77.2Confident9 Ų964.9 Ų64.95%0.04637%0.366CS..EExtended strand (participates in β ladder)trans-80.3117.8165.7-55.2165.1000107.9L560 L571 T582 L593 H597 V611 L613L560-I604 HydrophobicContact CD2-CD1 3.43Å; L560-I604 VanDerWaalsContact CD2-CD1 3.43Å; L571-I604 HydrophobicContact CD1-CB 3.96Å; L571-I604 HydrophobicContact CD1-CD1 4.48Å; L571-I604 HydrophobicContact CD1-CG2 3.53Å; T582-I604 HydrophobicContact CG2-CG2 4.07Å; L593-I604 HydrophobicContact CD2-CD1 3.82Å; H597-I604 HydrophobicContact CB-CG1 4.31Å; H597-I604 VanDerWaalsContact CD2-CG1 3.42Å; H597-I604 WeakPolarHBondContact CD2-CG1 3.31Å; I604-V611 PolarHBondContact N-O 3.41Å; I604-V611 PolarHBondContact O-N 2.82Å; I604-L613 HydrophobicContact CD1-CD1 3.84Å; I604-L613 HydrophobicContact CD1-CD2 4.28Å; I604-L613 HydrophobicContact CD1-CG 4.02Å
605I75.9Confident77.2Confident82 Ų8269 Ų6942%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-101120.8-179.4-56.9174.6000109.7P603P603-I605 PolarHBondContact O-N 3.4Å
606S67.8Low77.3Confident50 Ų5063 Ų6335%0.3537%0.367SS..EExtended strand (participates in β ladder)trans-135.2119.8175.9-172.80000111.1G608 S609S606-G608 VanDerWaalsContact C-N 3.27Å; S606-G608 PolarHBondContact O-N 3.46Å; S606-G608 VanDerWaalsContact O-N 3.14Å; S606-S609 PolarHBondContact N-O 2.89Å; S606-S609 WeakPolarHBondContact O-CA 3.42Å; S606-S609 WeakPolarHBondContact O-CB 3.27Å; S606-S609 PolarHBondContact O-N 3.4Å
607S55.5Low77.4Confident128 Ų12860.3 Ų60.390%0.89536%0.358SS*.THydrogen-bonded Turntrans47.441.8177.4-59.80000115.2S609S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.27Å
608G60.1Low77.2Confident80 Ų8066.3 Ų66.383%0.82538%0.38SS*.THydrogen-bonded Turntrans80.4-0.8-177.900000115S606S606-G608 VanDerWaalsContact C-N 3.27Å; S606-G608 PolarHBondContact O-N 3.46Å; S606-G608 VanDerWaalsContact O-N 3.14Å
609S63.6Low76.6Confident44 Ų4469.6 Ų69.631%0.30839%0.393SS..EExtended strand (participates in β ladder)trans-102.3121.2174-160.80000110.9K569 S606 S607K569-S609 WeakPolarHBondContact CD-OG 3.4Å; K569-S609 WeakPolarHBondContact CE-OG 3.38Å; K569-S609 PolarHBondContact NZ-OG 3.46Å; S606-S609 PolarHBondContact N-O 2.89Å; S606-S609 WeakPolarHBondContact O-CA 3.42Å; S606-S609 WeakPolarHBondContact O-CB 3.27Å; S606-S609 PolarHBondContact O-N 3.4Å; S607-S609 VanDerWaalsContact C-N 3.27Å; S607-S609 PolarHBondContact O-N 3.27Å
610E80Confident75.5Confident80 Ų8070.6 Ų70.637%0.37440%0.398SS..EExtended strand (participates in β ladder)trans-88141178.5-161.3-171.3119.700112Q564 K569 P603Q564-E610 PolarHBondContact NE2-OE1 2.72Å; Q564-E610 PolarHBondContact OE1-O 2.94Å; K569-E610 WeakPolarHBondContact CD-O 3.43Å; K569-E610 WeakPolarHBondContact CE-O 3.45Å; K569-E610 PolarHBondContact NZ-O 3.29Å; P603-E610 HydrophobicContact CB-CG 3.24Å; P603-E610 HydrophobicContact CG-CG 3.9Å
611V82.5Confident74.1Confident2 Ų271.8 Ų71.81%0.01240%0.404CS..EExtended strand (participates in β ladder)trans-135.7100.1171.2-1730000110.6K569 L571 I604 L613K569-V611 HydrophobicContact CB-CG2 3.68Å; K569-V611 HydrophobicContact CD-CG2 3.72Å; K569-V611 HydrophobicContact CG-CG2 4.35Å; L571-V611 HydrophobicContact CD1-CB 4.11Å; L571-V611 HydrophobicContact CD1-CG2 3.82Å; L571-V611 HydrophobicContact CG-CG2 4.21Å; I604-V611 PolarHBondContact N-O 3.41Å; I604-V611 PolarHBondContact O-N 2.82Å; V611-L613 HydrophobicContact CG1-CD2 3.99Å
612S83.1Confident72.3Confident20 Ų2070.5 Ų70.514%0.1439%0.39CS..EExtended strand (participates in β ladder)trans-76.9129.2169.9-28.90000111.1Q564Q564-S612 PolarHBondContact NE2-OG 3.39Å; Q564-S612 PolarHBondContact OE1-OG 3.39Å
613L83.9Confident70.5Confident4 Ų472.1 Ų72.12%0.02141%0.405CS..  trans-94.6120.5173.6-53.9-170.3000110.2F546 L560 I594 H597 M598 I604 V611F546-L613 HydrophobicContact CB-CD2 3.79Å; F546-L613 HydrophobicContact CD1-CB 3.83Å; F546-L613 HydrophobicContact CD1-CD2 4Å; F546-L613 HydrophobicContact CD1-CG 4.36Å; F546-L613 HydrophobicContact CD2-CD2 4.35Å; F546-L613 HydrophobicContact CE1-CB 3.88Å; F546-L613 HydrophobicContact CG-CB 4.42Å; F546-L613 HydrophobicContact CG-CD2 3.78Å; F546-L613 HydrophobicContact CG-CG 4.48Å; L560-L613 HydrophobicContact CD1-CD2 4.43Å; L560-L613 HydrophobicContact CD2-CD1 4.1Å; L560-L613 HydrophobicContact CD2-CD2 3.96Å; L560-L613 HydrophobicContact CG-CD2 4.46Å; I594-L613 HydrophobicContact CB-CD1 4.49Å; I594-L613 HydrophobicContact CG1-CD1 4.26Å; I594-L613 HydrophobicContact CG2-CD1 4.4Å; H597-L613 HydrophobicContact CB-CD1 4.22Å; H597-L613 HydrophobicContact CB-CG 4.39Å; M598-L613 HydrophobicContact CG-CB 3.96Å; I604-L613 HydrophobicContact CD1-CD1 3.84Å; I604-L613 HydrophobicContact CD1-CD2 4.28Å; I604-L613 HydrophobicContact CD1-CG 4.02Å; V611-L613 HydrophobicContact CG1-CD2 3.99Å
614K81.6Confident68.7Low140 Ų14074 Ų7461%0.60942%0.424SS*.  trans-127-44.6-179.3-59.3-177-178.5173.60113.3G544G544-K614 PolarHBondContact O-N 3.22Å
615Q81.7Confident66.9Low97 Ų9779.7 Ų79.745%0.45345%0.454SS..EExtended strand (participates in β ladder)trans-132.1118.3-174.7-163.7-173.4-8000111.2G544 D545 F546 V617G544-Q615 PolarHBondContact O-N 3.26Å; D545-Q615 CarbonylContact C-O 3.56Å; D545-Q615 WeakPolarHBondContact CA-O 3.35Å; D545-Q615 PolarHBondContact OD1-NE2 2.96Å; D545-Q615 VanDerWaalsContact OD1-NE2 3.1Å; F546-Q615 VanDerWaalsContact CD1-O 3.29Å; F546-Q615 WeakPolarHBondContact CD1-O 3.22Å; F546-Q615 VanDerWaalsContact CE1-C 3.49Å; F546-Q615 PolarHBondContact N-O 3.06Å; Q615-V617 PolarHBondContact O-N 2.94Å
616P84.3Confident65.1Low41 Ų4183.1 Ų83.127%0.26647%0.472SS..EExtended strand (participates in β ladder)trans-70.6124.8172.427.8-32.2000110.1C526 F546 R618C526-P616 HydrophobicContact CB-CB 3.72Å; F546-P616 HydrophobicContact CE1-CB 4.21Å; F546-P616 HydrophobicContact CE2-CB 4.24Å; F546-P616 HydrophobicContact CZ-CB 3.79Å; P616-R618 PolarHBondContact O-N 3.18Å
617V83.1Confident63.7Low11 Ų1189.1 Ų89.17%0.06749%0.494CS..  trans-75.9111.7172-179.70000108.4H528 L539 L540 D545 F546 L547 Q615H528-V617 PolarHBondContact NE2-O 2.84Å; L539-V617 HydrophobicContact CB-CG1 4.25Å; L540-V617 HydrophobicContact CD2-CG2 4.16Å; D545-V617 HydrophobicContact CB-CG2 3.79Å; F546-V617 PolarHBondContact O-N 3.28Å; L547-V617 HydrophobicContact CB-CB 4.35Å; L547-V617 HydrophobicContact CD2-CB 4.46Å; Q615-V617 PolarHBondContact O-N 2.94Å
618R77.7Confident62.7Low133 Ų13387.7 Ų87.750%0.50248%0.484SS..  trans-67.6137.9-179.7-71.2-177.6163.9173.2-11.4112.1E525 P616 D620 N621E525-R618 HydrophobicContact CB-CG 4.39Å; E525-R618 IonicContact OE1-CZ 3.31Å; E525-R618 IonicContact OE1-NE 3.89Å; E525-R618 IonicContact OE1-NH2 2.8Å; E525-R618 PolarHBondContact OE1-NH2 3.07Å; E525-R618 IonicContact OE2-CZ 2.68Å; E525-R618 IonicContact OE2-NE 2.98Å; E525-R618 PolarHBondContact OE2-NE 3.39Å; E525-R618 IonicContact OE2-NH2 2.88Å; E525-R618 PolarHBondContact OE2-NH2 2.82Å; P616-R618 PolarHBondContact O-N 3.18Å; R618-D620 PolarHBondContact O-N 3.42Å; R618-N621 PolarHBondContact O-N 3.24Å
619K68.3Low61.6Low125 Ų12591.8 Ų91.854%0.54349%0.487SS..THydrogen-bonded Turntrans-54.8-30.8178-175.6-175.9172.2-166.50114.4E525 N621E525-K619 PolarHBondContact O-N 3.12Å; K619-N621 VanDerWaalsContact C-N 3.3Å; K619-N621 PolarHBondContact O-N 2.93Å
620D58.3Low60.3Low138 Ų138103 Ų10374%0.73853%0.53SS*.THydrogen-bonded Turntrans-78.7-10.7-171.9-50.3-54.4000114.1R618 N622R618-D620 PolarHBondContact O-N 3.42Å; D620-N622 PolarHBondContact O-N 3.07Å
621N48.2Very low59.3Low116 Ų116104.2 Ų104.262%0.6254%0.538SS*.  trans-78.251.9175.5-77.6-13.7000112.4R618 K619 P623R618-N621 PolarHBondContact O-N 3.24Å; K619-N621 VanDerWaalsContact C-N 3.3Å; K619-N621 PolarHBondContact O-N 2.93Å; N621-P623 VanDerWaalsContact O-CD 3.31Å; N621-P623 WeakPolarHBondContact O-CD 3.09Å
622N42Very low58.1Low71 Ų71109.6 Ų109.638%0.3857%0.566SS.*  trans-114.983.6176.9-169-7.4000111.8D620 A624 L625D620-N622 PolarHBondContact O-N 3.07Å; N622-A624 PolarHBondContact O-N 3.07Å; N622-A624 VanDerWaalsContact O-N 3.07Å; N622-A624 WeakPolarHBondContact OD1-CB 3.49Å; N622-A624 PolarHBondContact OD1-N 2.88Å; N622-L625 PolarHBondContact O-N 3.47Å
623P43.5Very low56.7Low105 Ų105114.6 Ų114.668%0.68259%0.59SS**G310 helixtrans-65.1-11.3-179.127-35000114N621 L625N621-P623 VanDerWaalsContact O-CD 3.31Å; N621-P623 WeakPolarHBondContact O-CD 3.09Å; P623-L625 VanDerWaalsContact C-N 3.33Å; P623-L625 PolarHBondContact O-N 3.39Å
624A41.8Very low55.1Low79 Ų79121.1 Ų121.165%0.65362%0.623SS**G310 helixtrans-78.1-10.5-179.300000114.4N622N622-A624 PolarHBondContact O-N 3.07Å; N622-A624 VanDerWaalsContact O-N 3.07Å; N622-A624 WeakPolarHBondContact OD1-CB 3.49Å; N622-A624 PolarHBondContact OD1-N 2.88Å
625L42.5Very low53.4Low128 Ų128119.9 Ų119.967%0.6762%0.624SS**G310 helixtrans-96-3.5-177-77174000115.4N622 P623N622-L625 PolarHBondContact O-N 3.47Å; P623-L625 VanDerWaalsContact C-N 3.33Å; P623-L625 PolarHBondContact O-N 3.39Å
626L37.1Very low51.5Low153 Ų153121.4 Ų121.480%0.80164%0.635SS**SBendtrans-84.2-8.8175.7-74.5170.9000114.1
627H39.4Very low49.2Very low177 Ų177127.1 Ų127.182%0.81966%0.662SS**SBendtrans-107.644.1-179.8-71.2-62.4000113.5
628S34.7Very low46.6Very low98 Ų98136.1 Ų136.169%0.68571%0.708SS**SBendtrans-147.441.5170.2-172.70000113.1
629N37.3Very low44Very low165 Ų165136.3 Ų136.388%0.88273%0.725SS**  trans-151.176.4168.4-93.7-44.9000110.6
630K34.8Very low41.8Very low281 Ų281137.4 Ų137.4100%1.22274%0.741SS**  trans-157.80160.7-154.2172.6-173.5178.60110.8

Retrieved 630 of 630 residues in 358 ms (Link to these results)