A0A096N377_PAPAN Loading...

GATA binding protein 1

AlphaFold DB , UniProt , Accession A0A096N377, Species PAPAN (Papio anubis, Olive baboon), Gene GATA1, Length 413 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
1M43.9Very low43Very low218 Ų218143.9 Ų143.9100%1.07486%0.858SS**  066.40-58.5171.4179.500109.4
2E33.8Very low42.7Very low183 Ų183141.7 Ų141.786%0.85585%0.854SS**  cis73134.531.9-67.5162.8105.800116.1
3F45.4Very low42.5Very low208 Ų208145.6 Ų145.691%0.91286%0.858SS**  trans-94.8156.1176-69.7-100.1000111.2
4P61.2Low43.2Very low128 Ų128142.6 Ų142.683%0.83184%0.844SS**  -128.6172.5122.437.6-30.5000110.7
5G42.8Very low42.9Very low74 Ų74143.6 Ų143.676%0.76384%0.843SS**  cis173.8151.4-2.700000109.3
6L44.8Very low43.4Very low180 Ų180142.5 Ų142.594%0.94284%0.842SS**  trans-83152.3-174.3-85.6162.2000113.8
7G40.8Very low43.1Very low74 Ų74145.3 Ų145.376%0.76384%0.844SS**  trans-149.5130.9165.100000110.3
8T44.7Very low42.9Very low123 Ų123148.2 Ų148.276%0.75585%0.845SS**  trans-126.7-176.9-173.650.30000111.6
9L41.6Very low42.8Very low175 Ų175147.2 Ų147.292%0.91684%0.842SS**  trans83.7134.9-171.6-50.7167.4000113.9
10G37.4Very low42.7Very low65 Ų65147.2 Ų147.267%0.6784%0.839SS**  cis133.4109.9-16.200000114.9
11T36.9Very low43Very low155 Ų155146.2 Ų146.295%0.95184%0.839SS**  trans-174.9152.715310.30000109.5
12S38.8Very low42.8Very low117 Ų117140 Ų14082%0.81882%0.822SS**  trans-146.1125.2179.656.80000111.1
13E40Very low43.1Very low193 Ų193139.2 Ų139.290%0.90282%0.823SS**PPolyproline II helixtrans-94.5130.7178.6-101.6-84.789.500111.1
14P53.3Low42.7Very low103 Ų103136.2 Ų136.267%0.66982%0.821SS**PPolyproline II helixtrans-98.3163.1-175.837.5-34.4000114.7
15L38.4Very low41.4Very low158 Ų158135.2 Ų135.283%0.82782%0.817SS**PPolyproline II helixtrans-67.8149.1170.3-90.281.1000112.4
16P50.2Low41Very low126 Ų126137.3 Ų137.382%0.81882%0.82SS**PPolyproline II helixtrans-72.2137.6164.931.3-33.7000111.3
17Q38.2Very low40.6Very low190 Ų190134.8 Ų134.889%0.88881%0.813SS**PPolyproline II helixtrans-99160.2168.6-70.4-172.8-15.200111.2
18F40Very low41.2Very low197 Ų197136.9 Ų136.986%0.86481%0.813SS**  trans-115.2117.9-170.2-160.4-78.1000110
19V42Very low40.9Very low129 Ų129139.5 Ų139.578%0.78282%0.816SS**  trans-147136.3176.7-74.60000111.9
20D39.3Very low40.7Very low147 Ų147136.3 Ų136.379%0.78681%0.808SS**  trans-74.2157.5161.6-72.8-74.2000110.8
21P49.2Very low40.5Very low127 Ų127136.7 Ų136.783%0.82581%0.812SS**  -142.7171.3112.238.5-25.8000114.4
22A39.7Very low40.5Very low88 Ų88136 Ų13673%0.72781%0.808SS**  trans-110.5168.1-175.800000114.2
23L41.7Very low40.2Very low167 Ų167140.3 Ų140.387%0.87481%0.812SS**  trans75125.9167.3-55.5173.4000118.7
24V35.8Very low40.2Very low145 Ų145139.4 Ų139.488%0.87981%0.806SS**  -174.2163.3118.8145.90000109.2
25S34.3Very low40.3Very low107 Ų107140.2 Ų140.275%0.74881%0.811SS**  trans-123152-169.6177.50000113.4
26S35.3Very low40.2Very low117 Ų117137.8 Ų137.882%0.81881%0.807SS**  trans-161.7157.1159.7-42.90000112.9
27T35.7Very low39.2Very low128 Ų128135.4 Ų135.479%0.78581%0.806SS**  trans-104.2167.2174.651.70000112
28P53.7Low40.1Very low118 Ų118132.1 Ų132.177%0.76680%0.8SS**  -132167.884.81213.1000112.9
29E37.3Very low39.8Very low178 Ų178132.1 Ų132.183%0.83280%0.803SS**  68.9138.751.1-67.4-117.7110.400114.8
30S38Very low39.4Very low107 Ų107129.2 Ų129.275%0.74880%0.799SS**  cis-167.1177.6-2.451.70000113.3
31G33Very low39.4Very low73 Ų73129.9 Ų129.975%0.75380%0.802SS**  trans102.4146.1169.700000116.1
32V36.5Very low38.7Very low142 Ų142130.7 Ų130.786%0.86180%0.8SS**  cis-148.4129.70.8-85.90000108.9
33F34Very low38.5Very low207 Ų207130.9 Ų130.991%0.90880%0.801SS**  86.613985-134.1-88.7000116.8
34F39.6Very low38.2Very low174 Ų174127.5 Ų127.576%0.76380%0.797SS**  trans-107.7160.9-164.1-85.6-87.3000114.3
35P54.1Low38.2Very low120 Ų120125 Ų12578%0.77979%0.791SS**  -137.9158.180.632.2-12.4000113.9
36S36.7Very low38.2Very low107 Ų107125.2 Ų125.275%0.74879%0.793SS**  cis76.1126.137.3-53.70000113.9
37G30.3Very low38.2Very low76 Ų76124.4 Ų124.478%0.78479%0.787SS**  cis-168.8-150.4-200000108
38P55.6Low38.3Very low120 Ų120124.5 Ų124.578%0.77979%0.788SS**  cis-136.3-167.1-11.441.3-20.8000114.7
39E34.8Very low37.8Very low197 Ų197123 Ų12392%0.92179%0.786SS**  trans66132.3163.8-57.4-172.6157.100120
40G32.3Very low38Very low68 Ų68120.8 Ų120.870%0.70179%0.787SS**  cis175.7159.6-9.700000113.7
41L39.9Very low38Very low162 Ų162121.3 Ų121.385%0.84879%0.79SS**  trans59.5136.2161.8-48.9179.5000117.8
42D33.7Very low38.3Very low144 Ų144125 Ų12577%0.7780%0.798SS**  cis-156.3166.414.7-122.8-34.9000113.8
43A37.4Very low38.2Very low91 Ų91123.1 Ų123.175%0.75280%0.798SS**  trans58.6120.5154.200000124.3
44A35Very low38.3Very low96 Ų96120.3 Ų120.379%0.79380%0.798SS**  trans79.782.413200000123.2
45A35.4Very low37.9Very low92 Ų92116.5 Ų116.576%0.7680%0.798SS**  60.8101.1120.100000122.6
46S33.4Very low36.8Very low112 Ų112115.5 Ų115.578%0.78380%0.801SS**  48.689.5120.6-52.30000121.8
47S36Very low36.5Very low100 Ų100115.6 Ų115.670%0.69981%0.808SS**  38.1136.1106.673.50000122.5
48T37.1Very low36.8Very low130 Ų130117 Ų11780%0.79881%0.812SS**  trans89.6104.4140.4-52.80000120.3
49A43.6Very low36Very low88 Ų88115.9 Ų115.973%0.72781%0.813SS**  trans45.9125.6139.200000122.1
50P41.9Very low36.3Very low130 Ų130115.2 Ų115.284%0.84482%0.815SS**PPolyproline II helixtrans-95.7137.8160.835.4-29.3000112.9
51S37.9Very low36.4Very low118 Ų118116.6 Ų116.683%0.82582%0.819SS**PPolyproline II helixtrans-87.2163.9167.5-66.90000112A53S51-A53 PolarHBondContact O-N 2.61Å
52T39.1Very low36.1Very low150 Ų150119.7 Ų119.792%0.9282%0.821SS**PPolyproline II helixtrans-52121.6-178.449.60000115.3
53A33.5Very low36.2Very low103 Ų103123.3 Ų123.385%0.85183%0.826SS**  trans-150.3136.9157.100000111.8S51S51-A53 PolarHBondContact O-N 2.61Å
54T36.2Very low36Very low149 Ų149129.5 Ų129.591%0.91483%0.83SS**  trans-76.2131.4-171.4-53.90000114.5
55A31.6Very low35.8Very low93 Ų93130.2 Ų130.277%0.76982%0.82SS**  trans-172.2153.9140.100000113.8
56A30.6Very low35.8Very low100 Ų100130 Ų13083%0.82682%0.818SS**  trans53.699.3156.500000120.7
57A32.3Very low35.9Very low109 Ų109134 Ų13490%0.90182%0.824SS**  trans173.962131.200000112.5
58A36.6Very low35.8Very low106 Ų106133.8 Ų133.888%0.87683%0.829SS**  trans-144.248.5-173.700000115.2
59A38.4Very low35.4Very low95 Ų95137 Ų13779%0.78583%0.828SS**  trans-159.594.5169.500000112.5
60L39.4Very low35Very low184 Ų184142.2 Ų142.296%0.96383%0.829SS**  trans174.466.4151.2-100172.9000111.2
61A34.7Very low34.7Very low97 Ų97145.1 Ų145.180%0.80283%0.831SS**  trans-158.759.9175.400000113
62Y34.9Very low34.6Very low226 Ų226144.8 Ų144.889%0.88683%0.828SS**  trans-139.391.7172.3-107.4-80.6000111.5
63Y35.2Very low35Very low221 Ų221142.8 Ų142.887%0.86782%0.818SS**  trans153.3117141.4-100.3-78.5000110.9
64R32.8Very low35.2Very low220 Ų220144.1 Ų144.183%0.8382%0.815SS**  -173.4165.7119.8-84.1-140.470.2144.90.2109.5
65D30.8Very low35.1Very low111 Ų111146 Ų14659%0.59481%0.811SS**  trans-24.2144.1-178.3-56.7-90.5000118.3
66A35.9Very low35.1Very low87 Ų87149.5 Ų149.572%0.71981%0.811SS**  cis88.8144.438.500000114.9
67E34.4Very low35.4Very low196 Ų196150.7 Ų150.792%0.91681%0.808SS**  trans59.6116-175.8-59.2-147.9109.700119.1
68A33.9Very low35.4Very low96 Ų96155.5 Ų155.579%0.79381%0.805SS**  170.5134.7110.600000114.2
69Y30Very low35.6Very low198 Ų198155.8 Ų155.878%0.77680%0.797SS**  trans56.5131.3142.4-133.2-84.2000121.7
70R34.7Very low35.5Very low197 Ų197158.9 Ų158.974%0.74380%0.8SS**  cis-157.4155.4-25.5-99.6-168.1-162.1-152.61.7107.7
71H36.7Very low35.3Very low192 Ų192158.4 Ų158.489%0.88980%0.797SS**PPolyproline II helixtrans-90.2148.8168.2-79.7-83.6000113.1
72S34.3Very low35.2Very low110 Ų110161.5 Ų161.577%0.76980%0.8SS**PPolyproline II helixtrans-78.8138.5175.6-176.60000111.8
73P48.2Very low35.2Very low108 Ų108156.8 Ų156.870%0.70180%0.799SS**PPolyproline II helixtrans-80.7133.4-176.531.5-34.4000113
74V36.8Very low35.1Very low131 Ų131154.1 Ų154.179%0.79480%0.797SS**  trans-110.3121.2160.8174.80000107.4Q76V74-Q76 PolarHBondContact O-N 3.18Å
75F34.4Very low35.1Very low190 Ų190152.4 Ų152.483%0.83380%0.798SS**  trans-63122-179.9-84.6-96.9000111.5
76Q32.9Very low35Very low165 Ų165150.6 Ų150.677%0.77181%0.806SS**  trans-117.3129.6156.5-66.7-1711.400107.9V74V74-Q76 PolarHBondContact O-N 3.18Å
77V35.1Very low35.1Very low126 Ų126154.2 Ų154.276%0.76481%0.812SS**  trans-121.9106.5174.6-179.50000108.3
78Y33Very low35.5Very low210 Ų210150.6 Ų150.682%0.82481%0.805SS**  trans-102.9126.3162.6-88-85.1000108.3
79P41.2Very low35.3Very low112 Ų112149.7 Ų149.773%0.72781%0.805SS**  trans-101.2112.7168.533.5-26000110.9
80L36.4Very low35.3Very low160 Ų160144.3 Ų144.384%0.83881%0.81SS**  trans-149.7110.2163.4-79.5-176.6000110.7
81L34.3Very low35.1Very low173 Ų173140.5 Ų140.591%0.90681%0.813SS**  -163.9157.3127.2-131.573.1000110.5
82N34.3Very low35.8Very low162 Ų162136.6 Ų136.687%0.86681%0.805SS**  trans-92.3150.6174.4-78.2-3.6000111.4
83C34.2Very low35.6Very low128 Ų128142 Ų14287%0.86581%0.81SS**  trans-143.2149.6143.445.30000109.9
84M32.6Very low35Very low164 Ų164139.8 Ų139.881%0.80880%0.801SS**  trans-76.6166.2167.7-75.7160.248.500108.6
85E32.3Very low34.9Very low184 Ų184139.1 Ų139.186%0.8680%0.802SS**  cis-168.1156.247.7-156.7157120.300110.6
86G30.4Very low34.7Very low74 Ų74142.1 Ų142.176%0.76381%0.808SS**  trans148.199.4175.800000116.1
87I37.3Very low34.6Very low163 Ų163137.9 Ų137.984%0.83680%0.801SS**  trans-100.7153.8169.8-81.1-70.6000107.5
88P42.3Very low34.6Very low120 Ų120142.7 Ų142.778%0.77981%0.808SS**  cis-134.5173.123.336.8-17.9000117.8
89G29.6Very low34.5Very low76 Ų76136.4 Ų136.478%0.78481%0.807SS**  trans150.4104.614800000118.4
90G29.7Very low34.1Very low86 Ų86140.1 Ų140.189%0.88781%0.811SS**  trans76.186.4145.700000120.2
91S32.3Very low34.1Very low116 Ų116139 Ų13981%0.81181%0.811SS**  trans-91.7167.7148.2-144.50000108.3
92P50.6Low34Very low111 Ų111134.1 Ų134.172%0.72180%0.803SS**  cis-146.5170.318.843.7-23.1000119.4
93Y29.7Very low33.9Very low222 Ų222134.3 Ų134.387%0.87180%0.803SS**  12.8142.2124-144.1-106.1000119
94A35.9Very low33.9Very low63 Ų63137.9 Ų137.952%0.52180%0.8SS.*  cis-172.6-174.4-15.100000110.5
95S35.1Very low34.7Very low117 Ų117135.8 Ų135.882%0.81880%0.798SS**  trans30.8125.6148.1-57.80000121.7
96W29Very low34.7Very low252 Ų252130.8 Ų130.896%0.95579%0.788SS**  trans-134.3159.9154.863.5-83.8000111.7
97A31.7Very low34.8Very low76 Ų76132.4 Ų132.463%0.62879%0.788SS**  trans-155.2162.1-17600000113
98Y34.2Very low34.6Very low228 Ų228130.6 Ų130.689%0.89479%0.785SS**  trans69110.8164.3-79.4-76.5000121.9
99G31.4Very low34.1Very low78 Ų78131 Ų13180%0.80479%0.785SS**  trans75.2176.8134.200000119.8
100K33Very low34Very low189 Ų189133 Ų13382%0.82279%0.785SS**  cis-169.2147.6-30.8-161.3-171.4177.8-172.10109.5
101T36.6Very low34.7Very low136 Ų136134.8 Ų134.883%0.83478%0.781SS**  trans67.8156.3174.672.90000116.5
102G32Very low34.5Very low72 Ų72135.6 Ų135.674%0.74278%0.782SS**  cis-105.7-128-3.400000114.2
103L32.2Very low33.6Very low165 Ų165139.7 Ų139.786%0.86478%0.783SS**  cis-163.9-162-12-129.5175.5000111
104Y33.6Very low33.5Very low204 Ų204135.5 Ų135.580%0.877%0.771SS**  trans-146.6163.7-178.4-99.2-86.3000110.3
105P50.9Low33.2Very low119 Ų119139 Ų13977%0.77378%0.781SS**  cis-117.9166.147.37.618.6000114.7
106A31.3Very low33.1Very low79 Ų79138 Ų13865%0.65377%0.774SS**  73.1134.555.700000114.1
107S33.3Very low33.6Very low108 Ų108131.7 Ų131.776%0.75577%0.766SS**  cis-159.2157.77.8-112.70000115
108T31.4Very low34.3Very low125 Ų125134.2 Ų134.277%0.76778%0.776SS**  trans44.5123.8147.7-36.30000122.9
109V31.8Very low34.1Very low128 Ų128132.9 Ų132.978%0.77678%0.778SS**  171.2137.1116.4155.60000110.3
110C28.3Very low33.9Very low118 Ų118133.9 Ų133.980%0.79778%0.779SS**  trans-120.2155.4166.2-57.10000109.7
111P43.7Very low33.9Very low124 Ų124128.7 Ų128.781%0.80577%0.771SS**  -130.2-161.9122.238.6-31000112.2
112T29.1Very low33.7Very low134 Ų134130.8 Ų130.882%0.82277%0.771SS**  trans-140.8150.2-147.4-29.10000113.8
113R30.8Very low33.7Very low196 Ų196134.6 Ų134.674%0.7477%0.774SS**  trans87.4137.4141.9-154.9-179.8167102.614.8119.4
114E27.8Very low34.6Very low134 Ų134131.8 Ų131.863%0.62677%0.766SS**  trans61.3150.7162.6-80.6150176.600118.2
115D29.4Very low34.5Very low136 Ų136129.8 Ų129.873%0.72777%0.769SS**  cis-137.5-161.9-0.9-146.9-51.8000111.7
116S33.8Very low33.6Very low97 Ų97127.2 Ų127.268%0.67876%0.764SS**PPolyproline II helixtrans-95.4145.4-159.2-48.40000114.3
117P39.1Very low33.7Very low120 Ų120133.5 Ų133.578%0.77978%0.777SS**PPolyproline II helixtrans-93.8138.1172.434.9-31.9000113.1
118P45.9Very low33.6Very low128 Ų128131.2 Ų131.283%0.83177%0.77SS**PPolyproline II helixtrans-82.8155.3162.933.8-32.6000111.8
119Q30.1Very low33.8Very low201 Ų201131.1 Ų131.194%0.93978%0.775SS**PPolyproline II helixtrans-96.9143.4-178.3-59.7-179.1-91.100113.4
120A27.9Very low33.8Very low99 Ų99131.8 Ų131.882%0.81878%0.779SS**  trans-166.8147.315400000108.2
121A32.5Very low34Very low79 Ų79131.5 Ų131.565%0.65378%0.779SS**  cis-162.9-171.4-18.100000107.9
122E33.3Very low33.3Very low181 Ų181134.8 Ų134.885%0.84678%0.78SS**  trans64.2102.7163.6-43.3-50.775.100120.3
123D32.3Very low33.5Very low152 Ų152134.1 Ų134.181%0.81377%0.771SS**  trans-64.8174.4140.9-100.3-64.3000110.4
124P50Low33.6Very low106 Ų106131.2 Ų131.269%0.68877%0.766SS**  cis-143.6179.520.642.6-23.2000118.5
125D32.5Very low33.9Very low161 Ų161130.6 Ų130.686%0.86177%0.772SS**  trans73.3160.6147.3-118.3-55.8000120.4
126G31.6Very low34.1Very low65 Ų65131.9 Ų131.967%0.6778%0.778SS**  trans141.84164.600000123
127K32.8Very low34.2Very low211 Ų211134.2 Ų134.292%0.91778%0.776SS**  trans44.9103.8149.7-170.2177.8-174.8173.50120.6
128G30.7Very low33.9Very low60 Ų60134.2 Ų134.262%0.61977%0.774SS**  trans-155120.7159.500000112.1
129S35.7Very low33.3Very low124 Ų124134.5 Ų134.587%0.86776%0.764SS**  70.691.877.970.80000114.4
130T31.9Very low33.4Very low141 Ų141133.8 Ų133.887%0.86575%0.752SS**  trans-113.9112.6179.255.70000112.5
131S33.7Very low33.6Very low112 Ų112136.4 Ų136.478%0.78375%0.752SS**  trans-158.9170166.660.20000110.2
132F28.5Very low33.4Very low193 Ų193137.3 Ų137.385%0.84675%0.753SS**  trans65.5141-171-110.3-108.6000113.4
133L33.5Very low34.5Very low121 Ų121133.9 Ų133.963%0.63475%0.747SS**  cis150.9122-18.9-106.4172.7000105.2
134E31.8Very low34.3Very low135 Ų135133.1 Ų133.163%0.63174%0.743SS**  trans39.1112.8138.3-164.9179163.200121.1K137E134-K137 IonicContact OE1-NZ 2.61Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å
135T34.4Very low33.4Very low120 Ų120134.3 Ų134.374%0.73674%0.743SS**  trans-163.1159.1139.18.70000107.5
136L34.2Very low33.6Very low164 Ų164133.9 Ų133.986%0.85974%0.74SS**  cis-142.8164.144.5-75.4162.8000113.8
137K34.9Very low33.5Very low146 Ų146136.1 Ų136.164%0.63574%0.74SS**  trans-151.3161.5-170-80.1147.6177165.30108.6E134E134-K137 IonicContact OE1-NZ 2.61Å; E134-K137 PolarHBondContact OE1-NZ 3.09Å
138T34.2Very low33.5Very low120 Ų120134.3 Ų134.374%0.73674%0.74SS**  cis-155.2-15.810.8-11.60000117.1
139E32.4Very low33.5Very low134 Ų134134.9 Ų134.963%0.62675%0.745SS**  trans-109.1160.4-148.3-72.2-73101.900114.7
140R32.1Very low34.6Very low185 Ų185135.6 Ų135.670%0.69875%0.747SS**  cis167.1174.6-23.4-109-158.3175.9106.1-4.5105.9
141L31.9Very low34.6Very low155 Ų155133.9 Ų133.981%0.81275%0.747SS**  cis-144178.637.6-73.8160.7000112.9
142S29.8Very low34.5Very low97 Ų97136.6 Ų136.668%0.67875%0.752SS**  trans-92.2-171.3-176.7-36.40000113.1
143P55.7Low35.5Very low109 Ų109132 Ų13271%0.70874%0.742SS**  cis-127.2-138.2-334.3-9.2000112
144D28.2Very low35.5Very low137 Ų137131.7 Ų131.773%0.73375%0.75SS**  cis-168.8174.21-124.5-5000107.2
145L31Very low35.6Very low130 Ų130130.8 Ų130.868%0.68176%0.758SS**  cis-164.8-175.1-23.7-136.9179.1000107.9
146L35.5Very low35.7Very low153 Ų153132.6 Ų132.680%0.80176%0.763SS**  trans69.2167.7170.7-53-177000118.4
147T29.6Very low36.3Very low111 Ų111130.6 Ų130.668%0.68176%0.76SS**  -166.9158.3-81.8-820000110.5
148L33.7Very low36.4Very low174 Ų174129.3 Ų129.391%0.91176%0.764SS**  trans73.5158.5-175.2-44-177.6000115.1
149G30.5Very low37.1Very low71 Ų71129.7 Ų129.773%0.73277%0.768SS**  cis174.8144.7-7.200000110.8
150P58.6Low37.2Very low140 Ų140128.3 Ų128.391%0.90977%0.773SS**  trans-106.7159.4-164.139.4-35.7000117.3
151A31.6Very low37.4Very low105 Ų105125.2 Ų125.287%0.86878%0.78SS**  trans-154.9162.7168.300000114.7
152L31.5Very low37.7Very low168 Ų168121.8 Ų121.888%0.8877%0.774SS**  trans-155.6176.4-177.6-101157.4000106.7
153P51.3Low38.1Very low98 Ų98129.1 Ų129.164%0.63679%0.789SS**  cis-134.3-167.6-15.841.2-23.2000114.4
154S32.8Very low36.9Very low113 Ų113127.5 Ų127.579%0.7979%0.792SS**  trans70.5158.4150.7-670000119.4
155S33.5Very low37.1Very low117 Ų117124.7 Ų124.782%0.81880%0.795SS**  cis-159.7170-6.935.60000112.9
156L35.8Very low38.4Very low158 Ų158124.5 Ų124.583%0.82780%0.802SS**  trans-69.5174.1170.9-71.6174.9000112.9
157P46.8Very low38.4Very low122 Ų122124 Ų12479%0.79280%0.8SS**  cis-148.6-159.331.645.3-22.3000118.6
158V38.5Very low38.5Very low119 Ų119127 Ų12772%0.72180%0.804SS**  trans-116.2158.3-172.4-176.70000111.2
159P49.4Very low38.7Very low128 Ų128122.9 Ų122.983%0.83179%0.789SS**  trans-135.2177.5136.637.7-25.3000114.7
160S33.2Very low39Very low104 Ų104124.1 Ų124.173%0.72779%0.787SS**  trans-125.6179.8-155.9-510000115.5
161S37.3Very low37.9Very low121 Ų121122.2 Ų122.285%0.84677%0.773SS**  trans80.8162.9157.180.70000118.8
162A36.8Very low38.2Very low83 Ų83125 Ų12569%0.68677%0.766SS**  cis-176.6141.2-38.800000109.6
163Y38.5Very low38.4Very low250 Ų250125.9 Ų125.998%0.9876%0.763SS**  trans-168.5164.6162.6-100-70.7000109.7
164G31.3Very low38Very low76 Ų76126.6 Ų126.678%0.78477%0.77SS**  trans175.7-178.8175.300000117.9
165G31Very low38.8Very low77 Ų77127 Ų12779%0.79477%0.77SS**  trans81.6169.917400000116.4
166P58.9Low38.9Very low126 Ų126128.1 Ų128.182%0.81877%0.772SS**  cis-134.9-167.8-12.845.8-29.4000112.1
167D34.8Very low38.8Very low143 Ų143123.9 Ų123.977%0.76577%0.766SS**  cis-127.3-100.2-5.5-168.347.7000111.3
168F33.7Very low38.4Very low174 Ų174123.7 Ų123.776%0.76377%0.768SS**  cis-160.2127.4-9.5-174.2-120.3000114
169S36.8Very low39.2Very low87 Ų87123 Ų12361%0.60877%0.766SS**  trans58.4145.1159-75.60000120.9
170S37.2Very low38.7Very low97 Ų97124.3 Ų124.368%0.67877%0.765SS**  cis-148.71491.977.20000114.1
171T35.6Very low38.8Very low101 Ų101124.7 Ų124.762%0.6277%0.768SS**  trans33139.4143.138.60000122.4
172F37.6Very low39Very low164 Ų164124.9 Ų124.972%0.71977%0.769SS**  cis-157.4154.231.1-96.8-60.3000114.4
173F35.8Very low39.1Very low186 Ų186125.9 Ų125.982%0.81678%0.777SS**  trans49118.2155-62.7-60.1000123.5
174S41.8Very low39Very low112 Ų112118.6 Ų118.678%0.78377%0.769SS**  trans-126163.6142.3-55.40000107.8
175P50.3Low39.8Very low121 Ų121126.3 Ų126.379%0.78678%0.776SS**  -144.8-172.486.836.6-15.2000111.6
176T36.8Very low40.1Very low141 Ų141128.2 Ų128.287%0.86578%0.778SS**  cis-156.9153.523.2-49.20000109.8
177G32.3Very low39.4Very low69 Ų69127.4 Ų127.471%0.71178%0.775SS**  trans131.676.2157.600000117.4
178S39.1Very low40.1Very low118 Ų118126.3 Ų126.383%0.82578%0.776SS**  trans-140.5173.7163.9-69.50000106.7
179P54.1Low40.8Very low106 Ų106127.7 Ų127.769%0.68878%0.781SS**  cis-142.6-159.415.929.2-1.6000114.9
180L39.6Very low41.5Very low155 Ų155130.9 Ų130.981%0.81279%0.791SS**  trans79.6144160.5-48.3-178.8000117.1
181S35.3Very low42.3Very low112 Ų112138.4 Ų138.478%0.78380%0.804SS**  cis-153.5161.2-8.9-129.50000112.2
182S42.1Very low42.4Very low124 Ų124136 Ų13687%0.86780%0.799SS**  trans-111.6110-179.9-63.50000112.6
183A38.3Very low43.2Very low104 Ų104135.2 Ų135.286%0.8681%0.808SS**  trans-178.6129.1152.300000112.4
184A37.3Very low43.7Very low98 Ų98133.2 Ų133.281%0.8181%0.806SS**  174.2130.2129.600000111.6
185Y47.3Very low43.9Very low237 Ų237133.8 Ų133.893%0.92981%0.807SS**  trans-74.7128.4160.7-86.6-113.1000109.5
186S37.5Very low43.7Very low118 Ų118134.6 Ų134.683%0.82580%0.803SS**  trans-164.9136.9151.9-90.40000112.2
187S44.6Very low44.2Very low109 Ų109132.7 Ų132.776%0.76279%0.793SS**  trans-83.3128.6178.9-63.60000111.5K189S187-K189 VanDerWaalsContact C-N 3.29Å; S187-K189 PolarHBondContact O-N 3.19Å
188P49.9Very low44.8Very low120 Ų120135.4 Ų135.478%0.77980%0.799SS**  trans-70.480.8171.5-18.132.7000111.6L190P188-L190 HydrophobicContact CB-CG 4.44Å; P188-L190 PolarHBondContact O-N 3.39Å
189K48.1Very low45.2Very low202 Ų202134 Ų13488%0.87879%0.788SS**  trans-7949.5179.3-157.8166.9-173.3172.20111.9S187 R191S187-K189 VanDerWaalsContact C-N 3.29Å; S187-K189 PolarHBondContact O-N 3.19Å; K189-R191 PolarHBondContact O-N 3.03Å; K189-R191 VanDerWaalsContact O-N 3.12Å
190L50.3Low45.5Very low154 Ų154135.5 Ų135.581%0.80679%0.786SS**  trans-76.898.5-175.5-63-176000111.2P188 G192P188-L190 HydrophobicContact CB-CG 4.44Å; P188-L190 PolarHBondContact O-N 3.39Å; L190-G192 PolarHBondContact O-N 3.34Å
191R53.7Low46.9Very low255 Ų255131.4 Ų131.496%0.96277%0.774SS**  trans-68.473.3153.5-84.6-171.4167.9-170.9-1.5109.3K189K189-R191 PolarHBondContact O-N 3.03Å; K189-R191 VanDerWaalsContact O-N 3.12Å
192G39.5Very low49.4Very low50 Ų50132 Ų13252%0.51576%0.759SS.*  trans-104.8104.5169.800000110L190 L194L190-G192 PolarHBondContact O-N 3.34Å; G192-L194 PolarHBondContact O-N 2.85Å
193T53.2Low51.8Low148 Ų148130.2 Ų130.291%0.90874%0.737SS**  trans-76.855.9173.1-44.30000110.4
194L46.7Very low54.4Low145 Ų145125.2 Ų125.276%0.75970%0.696SS**  trans-71.2133.4173-63.1-178.5000108.6G192 L196G192-L194 PolarHBondContact O-N 2.85Å; L194-L196 PolarHBondContact O-N 3.23Å
195P46.2Very low57Low124 Ų124124.5 Ų124.581%0.80568%0.681SS**  trans-57.2115.7166.6-21.433000108.4
196L45.8Very low59Low137 Ų137114.2 Ų114.272%0.71764%0.643SS**  trans-53.1137.3169.6-71167.3000108L194L194-L196 PolarHBondContact O-N 3.23Å
197P46.4Very low61.5Low101 Ų101110 Ų11066%0.65661%0.613SS**  trans-52.7138.6174.425.2-34.5000107.7C199P197-C199 WeakPolarHBondContact O-CA 3.36Å; P197-C199 PolarHBondContact O-N 3.09Å; P197-C199 PolarHBondContact O-SG 3.11Å
198P46.5Very low63.6Low127 Ų127105.7 Ų105.783%0.82559%0.585SS**  trans-53.5103.6-164.920.4-33.3000109E200P198-E200 PolarHBondContact O-N 3.27Å
199C47.5Very low65.5Low89 Ų89101.5 Ų101.560%0.60156%0.561SS**  trans-69.889.8-168.3-78.30000106.9P197 A201P197-C199 WeakPolarHBondContact O-CA 3.36Å; P197-C199 PolarHBondContact O-N 3.09Å; P197-C199 PolarHBondContact O-SG 3.11Å; C199-A201 WeakPolarHBondContact O-CA 3.44Å; C199-A201 PolarHBondContact O-N 3.24Å
200E58.8Low67.6Low137 Ų13796.4 Ų96.464%0.6455%0.547SS*.  trans-45.9106.3-165.8-178.3-164-14500108.5P198 R202P198-E200 PolarHBondContact O-N 3.27Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 WeakPolarHBondContact O-CD 3.49Å; E200-R202 PolarHBondContact O-N 2.95Å; E200-R202 PolarHBondContact O-NE 3.38Å; E200-R202 IonicContact OE2-CZ 2.71Å; E200-R202 IonicContact OE2-NE 3.22Å; E200-R202 PolarHBondContact OE2-NE 3.29Å; E200-R202 IonicContact OE2-NH2 2.72Å; E200-R202 PolarHBondContact OE2-NH2 3.43Å
201A69.9Low69.5Low69 Ų6992.9 Ų92.957%0.5754%0.54SS*.  trans-78.681.9-148.800000110.7C199 E203 T210C199-A201 WeakPolarHBondContact O-CA 3.44Å; C199-A201 PolarHBondContact O-N 3.24Å; A201-E203 PolarHBondContact O-N 2.95Å; A201-T210 HydrophobicContact CB-CG2 4.37Å
202R88.3Confident71.3Confident123 Ų12382.3 Ų82.346%0.46450%0.504SS..  trans-52.5110.2173-68.7103.9-155.9-170.50.6106.9E200 W215E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 WeakPolarHBondContact O-CD 3.49Å; E200-R202 PolarHBondContact O-N 2.95Å; E200-R202 PolarHBondContact O-NE 3.38Å; E200-R202 IonicContact OE2-CZ 2.71Å; E200-R202 IonicContact OE2-NE 3.22Å; E200-R202 PolarHBondContact OE2-NE 3.29Å; E200-R202 IonicContact OE2-NH2 2.72Å; E200-R202 PolarHBondContact OE2-NH2 3.43Å; R202-W215 HydrophobicContact CB-CH2 4.42Å; R202-W215 HydrophobicContact CB-CZ2 4.12Å; R202-W215 WeakPolarHBondContact O-CH2 3.28Å; R202-W215 WeakPolarHBondContact O-CZ2 3.33Å
203E92.3Very high73.7Confident87 Ų8785.8 Ų85.841%0.40752%0.518SS..  trans-105.6143.3177.562.8154.6-138.600110.3A201 V205 A209 T210 K245A201-E203 PolarHBondContact O-N 2.95Å; E203-V205 PolarHBondContact O-N 3Å; E203-A209 WeakPolarHBondContact CA-O 3.39Å; E203-T210 HydrophobicContact CB-CG2 4.36Å; E203-K245 IonicContact OE1-NZ 3.79Å; E203-K245 PolarHBondContact OE1-NZ 2.82Å; E203-K245 IonicContact OE2-NZ 3.89Å; E203-K245 PolarHBondContact OE2-NZ 3.12Å
204C92.8Very high75.6Confident0 Ų082.8 Ų82.80%050%0.496CS..  trans-64.5120.3172175.10000110.1N206 C207 G208 A209 W215 Y223 C225C204-N206 PolarHBondContact O-N 3.46Å; C204-C207 PolarHBondContact O-N 3.2Å; C204-C207 VanDerWaalsContact SG-SG 3.64Å; C204-G208 VanDerWaalsContact O-CA 3.32Å; C204-G208 WeakPolarHBondContact O-CA 3.38Å; C204-G208 PolarHBondContact O-N 3.06Å; C204-A209 PolarHBondContact N-O 2.84Å; C204-W215 HydrophobicContact CB-CZ3 4.25Å; C204-Y223 WeakPolarHBondContact CA-O 3.45Å; C204-C225 HydrophobicContact CB-CB 3.91Å; C204-C225 PolarHBondContact SG-N 3.13Å
205V91.4Very high77.9Confident82 Ų8280.1 Ų80.150%0.49748%0.475SS..THydrogen-bonded Turntrans-61.7-21.4-177.8-60.30000113.9E203 H222 Y223 L224E203-V205 PolarHBondContact O-N 3Å; V205-H222 HydrophobicContact CG1-CB 4.06Å; V205-H222 HydrophobicContact CG2-CB 3.84Å; V205-Y223 PolarHBondContact N-O 3.42Å; V205-L224 HydrophobicContact CG2-CD2 3.67Å
206N89.6Confident80.2Confident22 Ų2278.3 Ų78.312%0.11845%0.453CS..THydrogen-bonded Turntrans-80.9-69.1172.3175.7-77.2000111.3C204 L224 C228 N238 R239C204-N206 PolarHBondContact O-N 3.46Å; N206-L224 HydrophobicContact CB-CD2 4.05Å; N206-C228 HydrophobicContact CB-CB 4.15Å; N206-C228 PolarHBondContact OD1-SG 3.48Å; N206-C228 VanDerWaalsContact OD1-SG 3.34Å; N206-N238 WeakPolarHBondContact ND2-CB 3.29Å; N206-N238 PolarHBondContact ND2-OD1 3.08Å; N206-R239 PolarHBondContact ND2-N 3.12Å; N206-R239 PolarHBondContact ND2-O 3.44Å
207C89.2Confident82.5Confident29 Ų2979.8 Ų79.820%0.19645%0.448CS..THydrogen-bonded Turntrans-95-14.8-16871.30000115.5C204 A209 C225 L241C204-C207 PolarHBondContact O-N 3.2Å; C204-C207 VanDerWaalsContact SG-SG 3.64Å; C207-A209 VanDerWaalsContact C-N 3.31Å; C207-A209 VanDerWaalsContact SG-CB 3.53Å; C207-A209 PolarHBondContact SG-N 3.02Å; C207-A209 VanDerWaalsContact SG-N 3.45Å; C207-C225 PolarHBondContact SG-SG 3.49Å; C207-L241 HydrophobicContact CB-CD2 3.54Å
208G88.9Confident84.5Confident18 Ų1877.1 Ų77.119%0.18643%0.429CS..  trans74.811.6-17500000115.9C204 T210 K245C204-G208 VanDerWaalsContact O-CA 3.32Å; C204-G208 WeakPolarHBondContact O-CA 3.38Å; C204-G208 PolarHBondContact O-N 3.06Å; G208-T210 PolarHBondContact O-N 2.93Å; G208-K245 VanDerWaalsContact CA-NZ 3.26Å
209A90.1Very high86.4Confident33 Ų3383.7 Ų83.727%0.27344%0.437SS..  trans-63.1126.9170.500000109.9E203 C204 C207 W215 C225E203-A209 WeakPolarHBondContact CA-O 3.39Å; C204-A209 PolarHBondContact N-O 2.84Å; C207-A209 VanDerWaalsContact C-N 3.31Å; C207-A209 VanDerWaalsContact SG-CB 3.53Å; C207-A209 PolarHBondContact SG-N 3.02Å; C207-A209 VanDerWaalsContact SG-N 3.45Å; A209-W215 WeakPolarHBondContact O-CH2 3.4Å; A209-C225 HydrophobicContact CB-CB 4.5Å
210T92.1Very high88.4Confident94 Ų9484.5 Ų84.558%0.57744%0.439SS*.SBendtrans-89.5-16.8175.247.90000112.8A201 E203 G208A201-T210 HydrophobicContact CB-CG2 4.37Å; E203-T210 HydrophobicContact CB-CG2 4.36Å; G208-T210 PolarHBondContact O-N 2.93Å
211A90.1Very high89.9Confident81 Ų8179.7 Ų79.767%0.66943%0.427SS*.  trans-120.1143.7173.300000110.5
212T91.3Very high90.9Very high33 Ų3380.7 Ų80.720%0.20242%0.42CS..  trans-161.4146.3175.8-171.10000110L214 W215 C225 N226T212-L214 WeakPolarHBondContact CG2-O 3.46Å; T212-L214 PolarHBondContact O-N 3.48Å; T212-L214 PolarHBondContact OG1-O 3.11Å; T212-W215 HydrophobicContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CE2 3.44Å; T212-W215 HydrophobicContact CG2-CE3 3.81Å; T212-W215 HydrophobicContact CG2-CG 3.86Å; T212-W215 HydrophobicContact CG2-CH2 4.08Å; T212-W215 HydrophobicContact CG2-CZ2 3.76Å; T212-W215 HydrophobicContact CG2-CZ3 4.11Å; T212-C225 HydrophobicContact CG2-CB 4.11Å; T212-C225 WeakPolarHBondContact OG1-CB 3.35Å; T212-N226 PolarHBondContact OG1-N 3.34Å
213P91.4Very high91.2Very high123 Ų12378.7 Ų78.780%0.79941%0.413SS*.SBendtrans-67.6-17.817726.3-36.2000114N226P213-N226 HydrophobicContact CG-CB 4.48Å
214L92.9Very high91.2Very high85 Ų8575.1 Ų75.145%0.44540%0.396SS..SBendtrans-152.8123.1172.3179.662.3000111T212 N226T212-L214 WeakPolarHBondContact CG2-O 3.46Å; T212-L214 PolarHBondContact O-N 3.48Å; T212-L214 PolarHBondContact OG1-O 3.11Å; L214-N226 HydrophobicContact CB-CB 4.15Å; L214-N226 WeakPolarHBondContact O-CA 3.45Å; L214-N226 WeakPolarHBondContact O-CB 3.44Å; L214-N226 PolarHBondContact O-N 2.93Å
215W94.3Very high91.3Very high88 Ų8875.5 Ų75.533%0.33340%0.399SS..EExtended strand (participates in β ladder)trans-75.8129.6168.9-74.9110.6000110.7R202 C204 A209 T212R202-W215 HydrophobicContact CB-CH2 4.42Å; R202-W215 HydrophobicContact CB-CZ2 4.12Å; R202-W215 WeakPolarHBondContact O-CH2 3.28Å; R202-W215 WeakPolarHBondContact O-CZ2 3.33Å; C204-W215 HydrophobicContact CB-CZ3 4.25Å; A209-W215 WeakPolarHBondContact O-CH2 3.4Å; T212-W215 HydrophobicContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CD2 3.45Å; T212-W215 VanDerWaalsContact CG2-CE2 3.44Å; T212-W215 HydrophobicContact CG2-CE3 3.81Å; T212-W215 HydrophobicContact CG2-CG 3.86Å; T212-W215 HydrophobicContact CG2-CH2 4.08Å; T212-W215 HydrophobicContact CG2-CZ2 3.76Å; T212-W215 HydrophobicContact CG2-CZ3 4.11Å
216R94.3Very high91.5Very high87 Ų8773.5 Ų73.533%0.32839%0.385SS..EExtended strand (participates in β ladder)trans-113153.1171.2-63-177.1179.9-80.2-1.8108.8L224 N226R216-L224 HydrophobicContact CB-CB 4.49Å; R216-L224 PolarHBondContact N-O 3.41Å; R216-L224 PolarHBondContact O-N 3.34Å; R216-N226 VanDerWaalsContact CZ-OD1 3.26Å; R216-N226 PolarHBondContact NE-OD1 3.16Å; R216-N226 PolarHBondContact NH2-OD1 3.3Å
217R94.2Very high91.7Very high167 Ų16774.5 Ų74.563%0.6340%0.396SS*.EExtended strand (participates in β ladder)trans-110.7145168.6-59.2-173.2-169.2-139.34.1109.4H222 Y223R217-H222 VanDerWaalsContact CA-O 3.31Å; R217-H222 WeakPolarHBondContact CA-O 3.45Å; R217-Y223 HydrophobicContact CG-CD1 4.42Å; R217-Y223 HydrophobicContact CG-CE1 4.45Å; R217-Y223 PolarHBondContact NH1-OH 3.3Å; R217-Y223 PolarHBondContact NH2-OH 3.04Å
218D87.9Confident91.9Very high46 Ų4673.1 Ų73.125%0.24639%0.387CS..  trans-78.1177.7166.380-16.1000110.8T220 G221 H222 L224D218-T220 VanDerWaalsContact CG-OG1 3.29Å; D218-T220 PolarHBondContact O-N 2.97Å; D218-T220 VanDerWaalsContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CA 3.29Å; D218-T220 VanDerWaalsContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CB 3.37Å; D218-T220 PolarHBondContact OD1-N 3Å; D218-T220 PolarHBondContact OD1-OG1 3.19Å; D218-T220 WeakPolarHBondContact OD2-CB 3.38Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å; D218-G221 PolarHBondContact O-N 3.44Å; D218-G221 PolarHBondContact OD1-N 3.1Å; D218-H222 PolarHBondContact N-O 2.82Å; D218-H222 VanDerWaalsContact N-O 3.08Å; D218-H222 IonicContact OD1-CG 2.68Å; D218-H222 PolarHBondContact OD1-N 2.77Å; D218-H222 IonicContact OD1-ND1 3.39Å; D218-H222 PolarHBondContact OD1-ND1 3.34Å; D218-H222 IonicContact OD2-CE1 2.84Å; D218-H222 IonicContact OD2-CG 3.45Å; D218-H222 IonicContact OD2-ND1 2.89Å; D218-H222 PolarHBondContact OD2-ND1 2.89Å; D218-L224 HydrophobicContact CB-CD1 4.15Å
219R86.4Confident92.1Very high264 Ų26472.8 Ų72.8100%0.99638%0.384SS*.THydrogen-bonded Turntrans-680.8174.9-64.3-169.9-177.3-156.90.9113.9
220T90.3Very high92.2Very high106 Ų10675.1 Ų75.165%0.6539%0.391SS*.THydrogen-bonded Turntrans-111.9-1.2-179.5-190000112D218D218-T220 VanDerWaalsContact CG-OG1 3.29Å; D218-T220 PolarHBondContact O-N 2.97Å; D218-T220 VanDerWaalsContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CA 3.29Å; D218-T220 VanDerWaalsContact OD1-CB 3.29Å; D218-T220 WeakPolarHBondContact OD1-CB 3.37Å; D218-T220 PolarHBondContact OD1-N 3Å; D218-T220 PolarHBondContact OD1-OG1 3.19Å; D218-T220 WeakPolarHBondContact OD2-CB 3.38Å; D218-T220 PolarHBondContact OD2-OG1 3.07Å
221G89.3Confident92.2Very high37 Ų3773.8 Ų73.838%0.38138%0.376SS..SBendtrans87.7-2.4-177.600000116D218D218-G221 PolarHBondContact O-N 3.44Å; D218-G221 PolarHBondContact OD1-N 3.1Å
222H92.1Very high92.3Very high89 Ų8973.6 Ų73.641%0.41236%0.361SS..  trans-69.5139.5-180-56.6112.7000112.3V205 R217 D218V205-H222 HydrophobicContact CG1-CB 4.06Å; V205-H222 HydrophobicContact CG2-CB 3.84Å; R217-H222 VanDerWaalsContact CA-O 3.31Å; R217-H222 WeakPolarHBondContact CA-O 3.45Å; D218-H222 PolarHBondContact N-O 2.82Å; D218-H222 VanDerWaalsContact N-O 3.08Å; D218-H222 IonicContact OD1-CG 2.68Å; D218-H222 PolarHBondContact OD1-N 2.77Å; D218-H222 IonicContact OD1-ND1 3.39Å; D218-H222 PolarHBondContact OD1-ND1 3.34Å; D218-H222 IonicContact OD2-CE1 2.84Å; D218-H222 IonicContact OD2-CG 3.45Å; D218-H222 IonicContact OD2-ND1 2.89Å; D218-H222 PolarHBondContact OD2-ND1 2.89Å
223Y93.7Very high92.3Very high82 Ų8280.6 Ų80.632%0.32239%0.389SS..EExtended strand (participates in β ladder)trans-74.4129.3175-62.1-78000112.4C204 V205 R217C204-Y223 WeakPolarHBondContact CA-O 3.45Å; V205-Y223 PolarHBondContact N-O 3.42Å; R217-Y223 HydrophobicContact CG-CD1 4.42Å; R217-Y223 HydrophobicContact CG-CE1 4.45Å; R217-Y223 PolarHBondContact NH1-OH 3.3Å; R217-Y223 PolarHBondContact NH2-OH 3.04Å
224L93.7Very high92.1Very high12 Ų1282.1 Ų82.16%0.06339%0.387CS..EExtended strand (participates in β ladder)trans-126.8138.6174.5-66.9174.5000109.8V205 N206 R216 D218 C228V205-L224 HydrophobicContact CG2-CD2 3.67Å; N206-L224 HydrophobicContact CB-CD2 4.05Å; R216-L224 HydrophobicContact CB-CB 4.49Å; R216-L224 PolarHBondContact N-O 3.41Å; R216-L224 PolarHBondContact O-N 3.34Å; D218-L224 HydrophobicContact CB-CD1 4.15Å; L224-C228 HydrophobicContact CD2-CB 4.4Å
225C95.1Very high92Very high7 Ų781.6 Ų81.65%0.04739%0.385CS..EExtended strand (participates in β ladder)trans-69157.8169.471.90000110.5C204 C207 A209 T212 A227 C228 G229C204-C225 HydrophobicContact CB-CB 3.91Å; C204-C225 PolarHBondContact SG-N 3.13Å; C207-C225 PolarHBondContact SG-SG 3.49Å; A209-C225 HydrophobicContact CB-CB 4.5Å; T212-C225 HydrophobicContact CG2-CB 4.11Å; T212-C225 WeakPolarHBondContact OG1-CB 3.35Å; C225-A227 VanDerWaalsContact C-N 3.28Å; C225-A227 PolarHBondContact O-N 3.45Å; C225-A227 VanDerWaalsContact O-N 3.16Å; C225-C228 PolarHBondContact O-N 3.03Å; C225-C228 PolarHBondContact SG-SG 3.5Å; C225-G229 PolarHBondContact O-N 3.03Å
226N95.1Very high91.7Very high40 Ų4080.2 Ų80.221%0.21440%0.398CS..Hα-helixtrans-48.3-49.2-174.7-171.225.3000112.7T212 P213 L214 R216 C228 G229 L230T212-N226 PolarHBondContact OG1-N 3.34Å; P213-N226 HydrophobicContact CG-CB 4.48Å; L214-N226 HydrophobicContact CB-CB 4.15Å; L214-N226 WeakPolarHBondContact O-CA 3.45Å; L214-N226 WeakPolarHBondContact O-CB 3.44Å; L214-N226 PolarHBondContact O-N 2.93Å; R216-N226 VanDerWaalsContact CZ-OD1 3.26Å; R216-N226 PolarHBondContact NE-OD1 3.16Å; R216-N226 PolarHBondContact NH2-OD1 3.3Å; N226-C228 PolarHBondContact O-N 3.45Å; N226-G229 PolarHBondContact O-N 3.06Å; N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 VanDerWaalsContact O-CG 3.29Å; N226-L230 WeakPolarHBondContact O-CG 3.45Å; N226-L230 PolarHBondContact O-N 3.49Å; N226-L230 WeakPolarHBondContact OD1-CD1 3.31Å
227A92.9Very high91.4Very high43 Ų4382.6 Ų82.636%0.35541%0.413SS..Hα-helixtrans-64.5-38.6-179.400000113.8C225 Y231C225-A227 VanDerWaalsContact C-N 3.28Å; C225-A227 PolarHBondContact O-N 3.45Å; C225-A227 VanDerWaalsContact O-N 3.16Å; A227-Y231 WeakPolarHBondContact O-CB 3.32Å; A227-Y231 PolarHBondContact O-N 2.83Å
228C93.2Very high91Very high1 Ų178.2 Ų78.21%0.00740%0.402CS..Hα-helixtrans-76.4-36.2178.8-66.80000112.1N206 L224 C225 N226 H232N206-C228 HydrophobicContact CB-CB 4.15Å; N206-C228 PolarHBondContact OD1-SG 3.48Å; N206-C228 VanDerWaalsContact OD1-SG 3.34Å; L224-C228 HydrophobicContact CD2-CB 4.4Å; C225-C228 PolarHBondContact O-N 3.03Å; C225-C228 PolarHBondContact SG-SG 3.5Å; N226-C228 PolarHBondContact O-N 3.45Å; C228-H232 VanDerWaalsContact O-CB 3.28Å; C228-H232 WeakPolarHBondContact O-CB 2.96Å; C228-H232 PolarHBondContact O-N 2.69Å
229G93.4Very high91Very high11 Ų1181.3 Ų81.311%0.11341%0.41CS..Hα-helixtrans-68.8-38.1174.500000113C225 N226 K233C225-G229 PolarHBondContact O-N 3.03Å; N226-G229 PolarHBondContact O-N 3.06Å; G229-K233 WeakPolarHBondContact O-CB 3.47Å; G229-K233 PolarHBondContact O-N 2.86Å
230L92Very high90.7Very high82 Ų8272.8 Ų72.843%0.42939%0.389SS..Hα-helixtrans-65.1-49.7172.6-74.9170.7000111.6N226 H232 K233 M234N226-L230 WeakPolarHBondContact O-CB 3.48Å; N226-L230 VanDerWaalsContact O-CG 3.29Å; N226-L230 WeakPolarHBondContact O-CG 3.45Å; N226-L230 PolarHBondContact O-N 3.49Å; N226-L230 WeakPolarHBondContact OD1-CD1 3.31Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 3.39Å; L230-K233 PolarHBondContact O-N 3.05Å; L230-K233 VanDerWaalsContact O-N 3.13Å; L230-M234 WeakPolarHBondContact O-CB 3.01Å; L230-M234 PolarHBondContact O-N 2.89Å
231Y92.9Very high90.2Very high65 Ų6570.9 Ų70.926%0.25538%0.375SS..Hα-helixtrans-57.9-44.9177-171.3-81.1000111.8A227 K233 M234 N235 Q237 R239 P240A227-Y231 WeakPolarHBondContact O-CB 3.32Å; A227-Y231 PolarHBondContact O-N 2.83Å; Y231-K233 VanDerWaalsContact C-N 3.33Å; Y231-K233 PolarHBondContact O-N 3.29Å; Y231-M234 PolarHBondContact O-N 2.89Å; Y231-N235 HydrophobicContact CD1-CB 4.17Å; Y231-N235 HydrophobicContact CE1-CB 3.8Å; Y231-N235 WeakPolarHBondContact O-CB 3.5Å; Y231-N235 PolarHBondContact O-N 3.39Å; Y231-N235 PolarHBondContact O-OD1 2.89Å; Y231-Q237 WeakPolarHBondContact CD1-O 3.45Å; Y231-R239 VanDerWaalsContact CD1-CA 3.42Å; Y231-R239 HydrophobicContact CD1-CB 3.82Å; Y231-R239 HydrophobicContact CD1-CG 4.23Å; Y231-R239 HydrophobicContact CD2-CG 4.05Å; Y231-R239 HydrophobicContact CE1-CB 4.41Å; Y231-R239 HydrophobicContact CG-CB 3.88Å; Y231-R239 HydrophobicContact CG-CG 3.88Å; Y231-P240 VanDerWaalsContact CZ-CD 3.42Å; Y231-P240 WeakPolarHBondContact OH-CD 3.43Å
232H91.3Very high89.5Confident77 Ų7777.4 Ų77.436%0.35640%0.399SS..Hα-helixtrans-66.4-33.1177.7-172.8-81.9000113C228 L230 G236 Q237C228-H232 VanDerWaalsContact O-CB 3.28Å; C228-H232 WeakPolarHBondContact O-CB 2.96Å; C228-H232 PolarHBondContact O-N 2.69Å; L230-H232 VanDerWaalsContact C-N 3.33Å; L230-H232 PolarHBondContact O-N 3.39Å; H232-G236 WeakPolarHBondContact O-CA 3.45Å; H232-G236 PolarHBondContact O-N 3.22Å; H232-Q237 WeakPolarHBondContact CA-O 3.36Å
233K90.9Very high88.4Confident180 Ų18083.5 Ų83.578%0.78342%0.418SS*.Hα-helixtrans-68.3-40.2174-173-175.1176.1-170.20111.8G229 L230 Y231G229-K233 WeakPolarHBondContact O-CB 3.47Å; G229-K233 PolarHBondContact O-N 2.86Å; L230-K233 PolarHBondContact O-N 3.05Å; L230-K233 VanDerWaalsContact O-N 3.13Å; Y231-K233 VanDerWaalsContact C-N 3.33Å; Y231-K233 PolarHBondContact O-N 3.29Å
234M88.2Confident87Confident155 Ų15585 Ų8576%0.76444%0.438SS*.Hα-helixtrans-82.9-48.5-174-172.5171.474.100112.9L230 Y231L230-M234 WeakPolarHBondContact O-CB 3.01Å; L230-M234 PolarHBondContact O-N 2.89Å; Y231-M234 PolarHBondContact O-N 2.89Å
235N90.5Very high85.8Confident74 Ų7487.6 Ų87.640%0.39645%0.449SS..Hα-helixtrans-96.2-6-173.3-59.985.6000113.5Y231 Q237Y231-N235 HydrophobicContact CD1-CB 4.17Å; Y231-N235 HydrophobicContact CE1-CB 3.8Å; Y231-N235 WeakPolarHBondContact O-CB 3.5Å; Y231-N235 PolarHBondContact O-N 3.39Å; Y231-N235 PolarHBondContact O-OD1 2.89Å; N235-Q237 PolarHBondContact O-N 2.78Å
236G87.6Confident84.2Confident59 Ų5996.6 Ų96.661%0.60849%0.487SS*.SBendtrans63.88.5-17700000115.1H232H232-G236 WeakPolarHBondContact O-CA 3.45Å; H232-G236 PolarHBondContact O-N 3.22Å
237Q88.1Confident82.7Confident137 Ų137104.1 Ų104.164%0.6451%0.513SS*.SBendtrans-129.4165.3-174.2-66.9-168.39.200111.7Y231 H232 N235Y231-Q237 WeakPolarHBondContact CD1-O 3.45Å; H232-Q237 WeakPolarHBondContact CA-O 3.36Å; N235-Q237 PolarHBondContact O-N 2.78Å
238N86.4Confident81.2Confident76 Ų76109.7 Ų109.741%0.40654%0.535SS..PPolyproline II helixtrans-71.8136.8173.9-90.6-80000110.9N206 A309N206-N238 WeakPolarHBondContact ND2-CB 3.29Å; N206-N238 PolarHBondContact ND2-OD1 3.08Å; N238-A309 HydrophobicContact CB-CB 4.1Å
239R87.1Confident79.7Confident110 Ų110115.1 Ų115.142%0.41556%0.563SS.*PPolyproline II helixtrans-58125.8179.7-168.3179-176-150.31.2110.3N206 Y231 L241N206-R239 PolarHBondContact ND2-N 3.12Å; N206-R239 PolarHBondContact ND2-O 3.44Å; Y231-R239 VanDerWaalsContact CD1-CA 3.42Å; Y231-R239 HydrophobicContact CD1-CB 3.82Å; Y231-R239 HydrophobicContact CD1-CG 4.23Å; Y231-R239 HydrophobicContact CD2-CG 4.05Å; Y231-R239 HydrophobicContact CE1-CB 4.41Å; Y231-R239 HydrophobicContact CG-CB 3.88Å; Y231-R239 HydrophobicContact CG-CG 3.88Å; R239-L241 PolarHBondContact O-N 3.06Å
240P81.4Confident78.3Confident85 Ų85120.8 Ų120.855%0.55260%0.595SS**PPolyproline II helixtrans-68.1130175.427.2-33000109.6Y231Y231-P240 VanDerWaalsContact CZ-CD 3.42Å; Y231-P240 WeakPolarHBondContact OH-CD 3.43Å
241L79.9Confident76.6Confident66 Ų66121.5 Ų121.535%0.34661%0.607SS.*  trans-98.2100.6-176.8-61.4175.4000109.8C207 R239 R243C207-L241 HydrophobicContact CB-CD2 3.54Å; R239-L241 PolarHBondContact O-N 3.06Å; L241-R243 CarbonylContact O-C 3.53Å; L241-R243 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact O-N 3.11Å
242I73.3Confident75.2Confident174 Ų174126.2 Ų126.289%0.89263%0.629SS**SBendtrans-53.9-30.8179.1-60.2170.5000111.8
243R69.3Low74.1Confident217 Ų217130.2 Ų130.282%0.81964%0.641SS**SBendtrans-116.6119.2165.1-58.1178.588.790.4-8.1107.7L241 K245L241-R243 CarbonylContact O-C 3.53Å; L241-R243 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact O-N 3.11Å; R243-K245 PolarHBondContact O-N 3.22Å
244P64.9Low73.3Confident113 Ų113126.5 Ų126.573%0.73464%0.644SS**  trans-63.4137.6-179.525.5-33.7000110.2K246P244-K246 PolarHBondContact O-N 2.85Å
245K67.5Low73.1Confident67 Ų67123.1 Ų123.129%0.29165%0.649SS.*  trans-52.7115.9177.7-179.6178.4-178.7172.80109.3E203 G208 R243 R247E203-K245 IonicContact OE1-NZ 3.79Å; E203-K245 PolarHBondContact OE1-NZ 2.82Å; E203-K245 IonicContact OE2-NZ 3.89Å; E203-K245 PolarHBondContact OE2-NZ 3.12Å; G208-K245 VanDerWaalsContact CA-NZ 3.26Å; R243-K245 PolarHBondContact O-N 3.22Å; K245-R247 HydrophobicContact CD-CG 4.18Å; K245-R247 HydrophobicContact CG-CG 4.19Å; K245-R247 PolarHBondContact O-N 2.74Å
246K62.3Low73.1Confident197 Ų197121.1 Ų121.186%0.85764%0.639SS**  trans-63.681.5163.2-94.3-171.3174.5-178.80107.7P244 L248P244-K246 PolarHBondContact O-N 2.85Å; K246-L248 PolarHBondContact O-N 2.71Å
247R62.7Low73.5Confident198 Ų198123.4 Ų123.475%0.74763%0.634SS**  trans-62.8106.6163.4-69.7-169.566161.92.5105.6K245 I249K245-R247 HydrophobicContact CD-CG 4.18Å; K245-R247 HydrophobicContact CG-CG 4.19Å; K245-R247 PolarHBondContact O-N 2.74Å; R247-I249 PolarHBondContact O-N 2.67Å; R247-I249 VanDerWaalsContact O-N 3.12Å
248L62Low73.8Confident159 Ų159116.9 Ų116.983%0.83260%0.604SS**PPolyproline II helixtrans-51.5122.8168.1-60.4178.4000106.8K246 V250K246-L248 PolarHBondContact O-N 2.71Å; L248-V250 PolarHBondContact O-N 2.79Å; L248-V250 VanDerWaalsContact O-N 3.16Å
249I62.9Low74.3Confident115 Ų115116.9 Ų116.959%0.5961%0.606SS**PPolyproline II helixtrans-61.5121.4173.1-60.9172.9000104.6R247 S251R247-I249 PolarHBondContact O-N 2.67Å; R247-I249 VanDerWaalsContact O-N 3.12Å; I249-S251 PolarHBondContact O-N 2.95Å; I249-S251 VanDerWaalsContact O-N 3.1Å
250V63.4Low74.7Confident130 Ų130113.2 Ų113.279%0.78860%0.595SS**PPolyproline II helixtrans-49124.2179.3171.10000107.2L248L248-V250 PolarHBondContact O-N 2.79Å; L248-V250 VanDerWaalsContact O-N 3.16Å
251S56.7Low75.4Confident97 Ų97109.4 Ų109.468%0.67857%0.57SS**PPolyproline II helixtrans-51148.1-157.7-1670000112.6I249 R253I249-S251 PolarHBondContact O-N 2.95Å; I249-S251 VanDerWaalsContact O-N 3.1Å; S251-R253 PolarHBondContact O-N 3.35Å
252K62.8Low76.1Confident164 Ų164112.5 Ų112.571%0.71358%0.583SS**  trans-48.9107.6172.2-64.8178.4-178.31780107.8A254K252-A254 PolarHBondContact O-N 3.29Å
253R68.7Low77Confident162 Ų162105.2 Ų105.261%0.61155%0.547SS*.  trans-66.8110.1170.9-74.1-173.6174.3-171.4-4.2106.3S251 G255 T256S251-R253 PolarHBondContact O-N 3.35Å; R253-G255 PolarHBondContact O-N 3.46Å; R253-T256 VanDerWaalsContact CB-OG1 3.26Å; R253-T256 WeakPolarHBondContact CB-OG1 3.23Å; R253-T256 PolarHBondContact O-N 3.08Å
254A72.9Confident78.1Confident101 Ų10198.3 Ų98.384%0.83553%0.529SS*.THydrogen-bonded Turntrans-51.6137.3179.500000109.8K252 T256K252-A254 PolarHBondContact O-N 3.29Å; A254-T256 PolarHBondContact O-N 2.89Å; A254-T256 VanDerWaalsContact O-N 3.12Å
255G84Confident79.4Confident85 Ų8595.1 Ų95.188%0.87651%0.507SS*.THydrogen-bonded Turntrans70.6-7.2-177.200000117R253 Q257R253-G255 PolarHBondContact O-N 3.46Å; G255-Q257 PolarHBondContact O-N 2.72Å
256T92Very high80.5Confident31 Ų3192.9 Ų92.919%0.1950%0.499CS..  trans-85.6115.2179.2-46.60000111.5R253 A254 W269 P277R253-T256 VanDerWaalsContact CB-OG1 3.26Å; R253-T256 WeakPolarHBondContact CB-OG1 3.23Å; R253-T256 PolarHBondContact O-N 3.08Å; A254-T256 PolarHBondContact O-N 2.89Å; A254-T256 VanDerWaalsContact O-N 3.12Å; T256-W269 HydrophobicContact CG2-CD2 3.71Å; T256-W269 HydrophobicContact CG2-CE3 3.84Å; T256-W269 HydrophobicContact CG2-CG 4.43Å; T256-W269 HydrophobicContact CG2-CH2 3.75Å; T256-W269 HydrophobicContact CG2-CZ2 3.59Å; T256-W269 HydrophobicContact CG2-CZ3 3.86Å; T256-W269 VanDerWaalsContact O-CH2 3.31Å; T256-W269 WeakPolarHBondContact O-CH2 3.4Å; T256-W269 VanDerWaalsContact O-CZ2 3.31Å; T256-W269 WeakPolarHBondContact O-CZ2 3.45Å; T256-P277 HydrophobicContact CG2-CB 3.85Å; T256-P277 HydrophobicContact CG2-CG 4.39Å
257Q94.9Very high81.9Confident108 Ų10888 Ų8851%0.50549%0.486SS..  trans-125150.4173.667.6-174.631.400111.5G255 T259 T264G255-Q257 PolarHBondContact O-N 2.72Å; Q257-T259 PolarHBondContact O-N 3.16Å; Q257-T264 HydrophobicContact CB-CG2 4Å
258C95.7Very high83.3Confident0 Ų082.8 Ų82.80%047%0.473CS..  trans-75.8121177.1176.50000111.5N260 C261 Q262 T263 W269 P277 C279C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.3Å; C258-C261 PolarHBondContact O-N 3.16Å; C258-Q262 WeakPolarHBondContact O-CA 3.09Å; C258-Q262 PolarHBondContact O-N 2.83Å; C258-T263 PolarHBondContact N-O 2.92Å; C258-T263 VanDerWaalsContact N-O 3.1Å; C258-W269 HydrophobicContact CB-CZ3 4.17Å; C258-P277 WeakPolarHBondContact CA-O 3.48Å; C258-C279 HydrophobicContact CB-CB 3.91Å; C258-C279 PolarHBondContact SG-N 2.96Å
259T96.3Very high84.8Confident75 Ų7577.8 Ų77.846%0.4644%0.443SS..THydrogen-bonded Turntrans-54.5-42.6-179.753.60000113.9Q257 D276 P277 V278Q257-T259 PolarHBondContact O-N 3.16Å; T259-D276 HydrophobicContact CG2-CB 3.65Å; T259-P277 PolarHBondContact N-O 3.24Å; T259-P277 VanDerWaalsContact N-O 3.08Å; T259-V278 WeakPolarHBondContact OG1-CG1 3.37Å
260N95.9Very high86.3Confident34 Ų3476.7 Ų76.718%0.18243%0.431CS..THydrogen-bonded Turntrans-76.4-26.4-177.2167.2-130000115.8C258 C282 R293C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.3Å; N260-C282 HydrophobicContact CB-CB 4.39Å; N260-C282 WeakPolarHBondContact OD1-CB 3.16Å; N260-C282 PolarHBondContact OD1-SG 2.72Å; N260-R293 PolarHBondContact ND2-O 2.87Å; N260-R293 WeakPolarHBondContact OD1-CB 3.4Å; N260-R293 PolarHBondContact OD1-N 3.12Å
261C95.2Very high87.9Confident5 Ų579.9 Ų79.93%0.03443%0.429CS..THydrogen-bonded Turntrans-139.27.5-173.672.60000115.2C258 T263 C282 L295 R298C258-C261 PolarHBondContact O-N 3.16Å; C261-T263 PolarHBondContact O-N 3.02Å; C261-T263 PolarHBondContact O-OG1 2.92Å; C261-T263 PolarHBondContact SG-OG1 2.72Å; C261-C282 PolarHBondContact SG-SG 3.43Å; C261-L295 HydrophobicContact CB-CD2 4.14Å; C261-R298 PolarHBondContact O-NH1 2.87Å
262Q94.6Very high89.7Confident130 Ų13077.9 Ų77.961%0.60741%0.411SS*.  trans586.3175.9-61.4154.4-4.700115.4C258 T264C258-Q262 WeakPolarHBondContact O-CA 3.09Å; C258-Q262 PolarHBondContact O-N 2.83Å; Q262-T264 PolarHBondContact O-N 2.94Å
263T92.9Very high91.2Very high22 Ų2275.1 Ų75.114%0.13542%0.419CS..  trans-69.7126-179.9-48.60000110.6C258 C261 T265 W269C258-T263 PolarHBondContact N-O 2.92Å; C258-T263 VanDerWaalsContact N-O 3.1Å; C261-T263 PolarHBondContact O-N 3.02Å; C261-T263 PolarHBondContact O-OG1 2.92Å; C261-T263 PolarHBondContact SG-OG1 2.72Å; T263-T265 VanDerWaalsContact CG2-O 3.28Å; T263-T265 WeakPolarHBondContact CG2-O 3.5Å; T263-W269 WeakPolarHBondContact O-CH2 3.15Å
264T92.8Very high92.3Very high72 Ų7271.8 Ų71.844%0.44242%0.42SS..  trans-89.1-10177.753.10000113.5Q257 Q262 W269Q257-T264 HydrophobicContact CB-CG2 4Å; Q262-T264 PolarHBondContact O-N 2.94Å; T264-W269 WeakPolarHBondContact O-CZ2 3.49Å
265T91.1Very high93.3Very high46 Ų4668 Ų6828%0.28239%0.391SS..  trans-113.7120.2-178.4500000110.7T263T263-T265 VanDerWaalsContact CG2-O 3.28Å; T263-T265 WeakPolarHBondContact CG2-O 3.5Å
266T91.9Very high93.8Very high20 Ų2067 Ų6712%0.12337%0.366CS..  trans-148.6156.5176.9-163.50000112.5L268 W269 C279 N280T266-L268 VanDerWaalsContact C-N 3.32Å; T266-L268 WeakPolarHBondContact CG2-O 3.38Å; T266-L268 PolarHBondContact OG1-O 3.27Å; T266-W269 HydrophobicContact CG2-CD2 3.5Å; T266-W269 VanDerWaalsContact CG2-CD2 3.5Å; T266-W269 HydrophobicContact CG2-CE3 3.88Å; T266-W269 HydrophobicContact CG2-CG 3.84Å; T266-W269 HydrophobicContact CG2-CH2 4.31Å; T266-W269 HydrophobicContact CG2-CZ2 3.99Å; T266-W269 HydrophobicContact CG2-CZ3 4.26Å; T266-C279 HydrophobicContact CG2-CB 4.39Å; T266-C279 WeakPolarHBondContact OG1-CB 3.38Å; T266-N280 PolarHBondContact OG1-N 3.43Å; T266-N280 VanDerWaalsContact OG1-N 3.09Å
267T90.5Very high94Very high95 Ų9567.7 Ų67.758%0.58337%0.371SS*.SBendtrans-77.9-18.6177.751.70000113.4I302T267-I302 HydrophobicContact CG2-CD1 4.49Å; T267-I302 HydrophobicContact CG2-CG2 3.57Å
268L91.6Very high94.1Very high88 Ų8863 Ų6346%0.46135%0.349SS..SBendtrans-160.8127174.2172.863.8000108.8T266 R270 N280T266-L268 VanDerWaalsContact C-N 3.32Å; T266-L268 WeakPolarHBondContact CG2-O 3.38Å; T266-L268 PolarHBondContact OG1-O 3.27Å; L268-R270 HydrophobicContact CG-CG 4.47Å; L268-N280 HydrophobicContact CB-CB 4.12Å; L268-N280 WeakPolarHBondContact O-CB 3.28Å; L268-N280 PolarHBondContact O-N 3.28Å; L268-N280 VanDerWaalsContact O-N 3.07Å
269W94.2Very high94.1Very high54 Ų5463.4 Ų63.421%0.20535%0.352CS..EExtended strand (participates in β ladder)trans-76.3138.2166.9-71.1108.9000110T256 C258 T263 T264 T266 P277T256-W269 HydrophobicContact CG2-CD2 3.71Å; T256-W269 HydrophobicContact CG2-CE3 3.84Å; T256-W269 HydrophobicContact CG2-CG 4.43Å; T256-W269 HydrophobicContact CG2-CH2 3.75Å; T256-W269 HydrophobicContact CG2-CZ2 3.59Å; T256-W269 HydrophobicContact CG2-CZ3 3.86Å; T256-W269 VanDerWaalsContact O-CH2 3.31Å; T256-W269 WeakPolarHBondContact O-CH2 3.4Å; T256-W269 VanDerWaalsContact O-CZ2 3.31Å; T256-W269 WeakPolarHBondContact O-CZ2 3.45Å; C258-W269 HydrophobicContact CB-CZ3 4.17Å; T263-W269 WeakPolarHBondContact O-CH2 3.15Å; T264-W269 WeakPolarHBondContact O-CZ2 3.49Å; T266-W269 HydrophobicContact CG2-CD2 3.5Å; T266-W269 VanDerWaalsContact CG2-CD2 3.5Å; T266-W269 HydrophobicContact CG2-CE3 3.88Å; T266-W269 HydrophobicContact CG2-CG 3.84Å; T266-W269 HydrophobicContact CG2-CH2 4.31Å; T266-W269 HydrophobicContact CG2-CZ2 3.99Å; T266-W269 HydrophobicContact CG2-CZ3 4.26Å; W269-P277 HydrophobicContact CE3-CB 4.21Å; W269-P277 HydrophobicContact CZ3-CB 4.39Å
270R95.4Very high94.1Very high92 Ų9261.4 Ų61.435%0.34734%0.338SS..EExtended strand (participates in β ladder)trans-123.3168.5174.2-65.7179.3177-80.4-6.1108.9L268 V278 N280L268-R270 HydrophobicContact CG-CG 4.47Å; R270-V278 HydrophobicContact CB-CG2 3.84Å; R270-V278 PolarHBondContact N-O 2.91Å; R270-V278 PolarHBondContact O-N 3.02Å; R270-N280 PolarHBondContact NE-OD1 2.92Å; R270-N280 PolarHBondContact NH2-OD1 3.03Å
271R95.9Very high94.1Very high197 Ų19761.7 Ų61.774%0.74335%0.346SS*.EExtended strand (participates in β ladder)trans-107.4149.2164.8-63.6-175-176.7-92.911.6110G275 D276R271-G275 VanDerWaalsContact CD-O 3.27Å; R271-G275 WeakPolarHBondContact CD-O 3.36Å; R271-G275 VanDerWaalsContact CG-O 3.28Å; R271-G275 WeakPolarHBondContact CG-O 3.33Å; R271-G275 PolarHBondContact NH1-O 3.16Å; R271-D276 VanDerWaalsContact CA-O 3.26Å; R271-D276 WeakPolarHBondContact CA-O 3.37Å
272N94.4Very high94.2Very high55 Ų5561.7 Ų61.729%0.29435%0.346SS..  trans-85.2-170164.965.5-0.1000110.2S274 G275 D276 V278N272-S274 VanDerWaalsContact CG-OG 3.31Å; N272-S274 PolarHBondContact ND2-OG 3.42Å; N272-S274 PolarHBondContact OD1-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 3.36Å; N272-S274 VanDerWaalsContact OD1-OG 3.1Å; N272-G275 PolarHBondContact O-N 3.17Å; N272-G275 PolarHBondContact OD1-N 3.28Å; N272-D276 PolarHBondContact N-O 3.38Å; N272-D276 PolarHBondContact ND2-OD2 3.39Å; N272-D276 WeakPolarHBondContact OD1-CB 3.3Å; N272-D276 PolarHBondContact OD1-N 3.38Å; N272-D276 PolarHBondContact OD1-OD2 3.09Å; N272-V278 HydrophobicContact CB-CG1 4.11Å
273A93.9Very high94.3Very high106 Ų10656.2 Ų56.288%0.87633%0.325SS*.THydrogen-bonded Turntrans-66.5-33.5179.800000113.7G275A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 3.49Å
274S93.1Very high94.5Very high91 Ų9159.2 Ų59.264%0.63634%0.339SS*.THydrogen-bonded Turntrans-79.4-2.6173.8390000114N272 D276N272-S274 VanDerWaalsContact CG-OG 3.31Å; N272-S274 PolarHBondContact ND2-OG 3.42Å; N272-S274 PolarHBondContact OD1-N 3.32Å; N272-S274 PolarHBondContact OD1-OG 3.36Å; N272-S274 VanDerWaalsContact OD1-OG 3.1Å; S274-D276 WeakPolarHBondContact CB-OD2 3.19Å; S274-D276 PolarHBondContact OG-OD2 2.97Å
275G93.8Very high94.7Very high23 Ų2358.2 Ų58.224%0.23733%0.328CS..  trans91.7-5.5177.500000115.7R271 N272 A273R271-G275 VanDerWaalsContact CD-O 3.27Å; R271-G275 WeakPolarHBondContact CD-O 3.36Å; R271-G275 VanDerWaalsContact CG-O 3.28Å; R271-G275 WeakPolarHBondContact CG-O 3.33Å; R271-G275 PolarHBondContact NH1-O 3.16Å; N272-G275 PolarHBondContact O-N 3.17Å; N272-G275 PolarHBondContact OD1-N 3.28Å; A273-G275 VanDerWaalsContact C-N 3.26Å; A273-G275 PolarHBondContact O-N 3.49Å
276D94.6Very high95Very high63 Ų6360.2 Ų60.234%0.33733%0.331SS..  trans-65.9149.9-176.9-47.6-62.1000113.5T259 R271 N272 S274 V278T259-D276 HydrophobicContact CG2-CB 3.65Å; R271-D276 VanDerWaalsContact CA-O 3.26Å; R271-D276 WeakPolarHBondContact CA-O 3.37Å; N272-D276 PolarHBondContact N-O 3.38Å; N272-D276 PolarHBondContact ND2-OD2 3.39Å; N272-D276 WeakPolarHBondContact OD1-CB 3.3Å; N272-D276 PolarHBondContact OD1-N 3.38Å; N272-D276 PolarHBondContact OD1-OD2 3.09Å; S274-D276 WeakPolarHBondContact CB-OD2 3.19Å; S274-D276 PolarHBondContact OG-OD2 2.97Å; D276-V278 PolarHBondContact O-N 2.89Å
277P95.7Very high95.2Very high46 Ų4667.9 Ų67.930%0.29936%0.362SS..EExtended strand (participates in β ladder)trans-65.4123.7174.527.3-34.4000112.4T256 C258 T259 W269T256-P277 HydrophobicContact CG2-CB 3.85Å; T256-P277 HydrophobicContact CG2-CG 4.39Å; C258-P277 WeakPolarHBondContact CA-O 3.48Å; T259-P277 PolarHBondContact N-O 3.24Å; T259-P277 VanDerWaalsContact N-O 3.08Å; W269-P277 HydrophobicContact CE3-CB 4.21Å; W269-P277 HydrophobicContact CZ3-CB 4.39Å
278V96.3Very high95.5Very high9 Ų969.5 Ų69.56%0.05537%0.367CS..EExtended strand (participates in β ladder)trans-126.7148.7169.4-590000111.5T259 R270 N272 D276T259-V278 WeakPolarHBondContact OG1-CG1 3.37Å; R270-V278 HydrophobicContact CB-CG2 3.84Å; R270-V278 PolarHBondContact N-O 2.91Å; R270-V278 PolarHBondContact O-N 3.02Å; N272-V278 HydrophobicContact CB-CG1 4.11Å; D276-V278 PolarHBondContact O-N 2.89Å
279C96.1Very high95.8Very high8 Ų869.9 Ų69.95%0.05437%0.366CS..EExtended strand (participates in β ladder)trans-72.2159.4178.483.40000111.1C258 T266 A281 C282 G283C258-C279 HydrophobicContact CB-CB 3.91Å; C258-C279 PolarHBondContact SG-N 2.96Å; T266-C279 HydrophobicContact CG2-CB 4.39Å; T266-C279 WeakPolarHBondContact OG1-CB 3.38Å; C279-A281 PolarHBondContact O-N 3.45Å; C279-A281 VanDerWaalsContact O-N 3.14Å; C279-C282 PolarHBondContact O-N 3.25Å; C279-C282 PolarHBondContact SG-N 3.14Å; C279-C282 VanDerWaalsContact SG-N 3.45Å; C279-G283 PolarHBondContact O-N 2.92Å
280N96.4Very high95.9Very high33 Ų3373.5 Ų73.518%0.17639%0.385CS..Hα-helixtrans-56.1-34.4-178.8-17662.1000113.6T266 L268 R270 L284T266-N280 PolarHBondContact OG1-N 3.43Å; T266-N280 VanDerWaalsContact OG1-N 3.09Å; L268-N280 HydrophobicContact CB-CB 4.12Å; L268-N280 WeakPolarHBondContact O-CB 3.28Å; L268-N280 PolarHBondContact O-N 3.28Å; L268-N280 VanDerWaalsContact O-N 3.07Å; R270-N280 PolarHBondContact NE-OD1 2.92Å; R270-N280 PolarHBondContact NH2-OD1 3.03Å; N280-L284 WeakPolarHBondContact ND2-CD1 3.47Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.21Å; N280-L284 WeakPolarHBondContact O-CD1 3.16Å; N280-L284 WeakPolarHBondContact O-CG 3.45Å; N280-L284 PolarHBondContact O-N 2.84Å; N280-L284 VanDerWaalsContact O-N 3.16Å
281A96.3Very high95.9Very high41 Ų4173 Ų7334%0.33939%0.392SS..Hα-helixtrans-71-46.3-179.500000112.1C279 L284 Y285C279-A281 PolarHBondContact O-N 3.45Å; C279-A281 VanDerWaalsContact O-N 3.14Å; A281-L284 PolarHBondContact O-N 3.32Å; A281-Y285 WeakPolarHBondContact O-CB 3.46Å; A281-Y285 PolarHBondContact O-N 2.9Å
282C96.8Very high95.9Very high4 Ų468.6 Ų68.63%0.02738%0.383CS..Hα-helixtrans-67.2-44.9179.1-64.90000111.9N260 C261 C279 L284 Y285 Y286 R293N260-C282 HydrophobicContact CB-CB 4.39Å; N260-C282 WeakPolarHBondContact OD1-CB 3.16Å; N260-C282 PolarHBondContact OD1-SG 2.72Å; C261-C282 PolarHBondContact SG-SG 3.43Å; C279-C282 PolarHBondContact O-N 3.25Å; C279-C282 PolarHBondContact SG-N 3.14Å; C279-C282 VanDerWaalsContact SG-N 3.45Å; C282-L284 VanDerWaalsContact C-N 3.31Å; C282-L284 PolarHBondContact O-N 3.09Å; C282-Y285 PolarHBondContact O-N 3.07Å; C282-Y286 WeakPolarHBondContact O-CB 3.31Å; C282-Y286 PolarHBondContact O-N 2.68Å; C282-R293 HydrophobicContact CB-CB 4.41Å
283G96.4Very high96Very high16 Ų1668.3 Ų68.317%0.16538%0.378CS..Hα-helixtrans-67.4-27.117800000114.3C279 K287C279-G283 PolarHBondContact O-N 2.92Å; G283-K287 WeakPolarHBondContact O-CB 3.49Å; G283-K287 PolarHBondContact O-N 3.07Å
284L96.6Very high96.1Very high85 Ų8565.6 Ų65.645%0.44535%0.352SS..Hα-helixtrans-78.5-39.1171.5-74.7174.1000112.4N280 A281 C282 K287 L288N280-L284 WeakPolarHBondContact ND2-CD1 3.47Å; N280-L284 VanDerWaalsContact O-CB 3.3Å; N280-L284 WeakPolarHBondContact O-CB 3.21Å; N280-L284 WeakPolarHBondContact O-CD1 3.16Å; N280-L284 WeakPolarHBondContact O-CG 3.45Å; N280-L284 PolarHBondContact O-N 2.84Å; N280-L284 VanDerWaalsContact O-N 3.16Å; A281-L284 PolarHBondContact O-N 3.32Å; C282-L284 VanDerWaalsContact C-N 3.31Å; C282-L284 PolarHBondContact O-N 3.09Å; L284-K287 PolarHBondContact O-N 2.86Å; L284-L288 PolarHBondContact O-N 2.72Å
285Y97.6Very high96.2Very high50 Ų5066.6 Ų66.620%0.19635%0.349CS..Hα-helixtrans-63.7-48.4177.2-175.7-84.7000111.3A281 C282 K287 L288 H289 V291 N292 R293 P294 M297A281-Y285 WeakPolarHBondContact O-CB 3.46Å; A281-Y285 PolarHBondContact O-N 2.9Å; C282-Y285 PolarHBondContact O-N 3.07Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 3.38Å; Y285-L288 PolarHBondContact O-N 3.1Å; Y285-H289 AromaticContact CD2-CD2 3.62Å; Y285-H289 HydrophobicContact CE1-CB 4.25Å; Y285-H289 AromaticContact CE2-CD2 3.54Å; Y285-H289 AromaticContact CE2-NE2 3.92Å; Y285-H289 AromaticContact CG-CD2 3.94Å; Y285-H289 AromaticContact CZ-CD2 3.77Å; Y285-H289 PolarHBondContact O-CD2 3.04Å; Y285-H289 PolarHBondContact O-N 2.74Å; Y285-V291 WeakPolarHBondContact CD1-O 3.47Å; Y285-V291 HydrophobicContact CE1-CG2 4.13Å; Y285-V291 WeakPolarHBondContact CE1-O 3.26Å; Y285-N292 WeakPolarHBondContact CE1-O 3.2Å; Y285-R293 VanDerWaalsContact CD1-CA 3.43Å; Y285-R293 HydrophobicContact CD1-CB 3.71Å; Y285-R293 HydrophobicContact CD1-CG 4.06Å; Y285-R293 HydrophobicContact CD2-CG 4.06Å; Y285-R293 HydrophobicContact CE1-CB 4.31Å; Y285-R293 HydrophobicContact CG-CB 3.87Å; Y285-R293 HydrophobicContact CG-CG 3.78Å; Y285-P294 WeakPolarHBondContact OH-CD 3.44Å; Y285-M297 HydrophobicContact CE2-SD 3.92Å
286Y97.1Very high96.2Very high89 Ų8972 Ų7235%0.34938%0.377SS..Hα-helixtrans-59.8-41.1176.6-170.8-88.4000111.7C282 L288 Q290C282-Y286 WeakPolarHBondContact O-CB 3.31Å; C282-Y286 PolarHBondContact O-N 2.68Å; Y286-L288 PolarHBondContact O-N 3.48Å; Y286-Q290 WeakPolarHBondContact CE2-O 3.26Å; Y286-Q290 WeakPolarHBondContact O-CA 3.31Å; Y286-Q290 PolarHBondContact O-N 2.85Å; Y286-Q290 PolarHBondContact OH-NE2 2.9Å
287K96.2Very high96.1Very high180 Ų18073.6 Ų73.678%0.78338%0.384SS*.Hα-helixtrans-67.6-18.9176.2-178159.9-178160.90114.2G283 L284 Y285G283-K287 WeakPolarHBondContact O-CB 3.49Å; G283-K287 PolarHBondContact O-N 3.07Å; L284-K287 PolarHBondContact O-N 2.86Å; Y285-K287 VanDerWaalsContact C-N 3.32Å; Y285-K287 PolarHBondContact O-N 3.38Å
288L97.4Very high95.9Very high130 Ų13076.2 Ų76.268%0.68139%0.388SS*.Hα-helixtrans-95.7-34.4179.1-177.159.5000113L284 Y285 Y286L284-L288 PolarHBondContact O-N 2.72Å; Y285-L288 PolarHBondContact O-N 3.1Å; Y286-L288 PolarHBondContact O-N 3.48Å
289H97.1Very high95.7Very high96 Ų9682.6 Ų82.644%0.44442%0.415SS..Hα-helixtrans-117.5-3.3-172.4-58.2-73.3000114.2Y285 V291Y285-H289 AromaticContact CD2-CD2 3.62Å; Y285-H289 HydrophobicContact CE1-CB 4.25Å; Y285-H289 AromaticContact CE2-CD2 3.54Å; Y285-H289 AromaticContact CE2-NE2 3.92Å; Y285-H289 AromaticContact CG-CD2 3.94Å; Y285-H289 AromaticContact CZ-CD2 3.77Å; Y285-H289 PolarHBondContact O-CD2 3.04Å; Y285-H289 PolarHBondContact O-N 2.74Å; H289-V291 HydrophobicContact CB-CG2 3.95Å; H289-V291 PolarHBondContact O-N 3.29Å
290Q96.4Very high95.2Very high129 Ų12987.2 Ų87.260%0.60344%0.439SS*.SBendtrans57.52.3-174.3-155.858.227.100115.9Y286Y286-Q290 WeakPolarHBondContact CE2-O 3.26Å; Y286-Q290 WeakPolarHBondContact O-CA 3.31Å; Y286-Q290 PolarHBondContact O-N 2.85Å; Y286-Q290 PolarHBondContact OH-NE2 2.9Å
291V96.4Very high94.8Very high82 Ų8287.9 Ų87.950%0.49745%0.454SS..SBendtrans-116.9156.6178.4-62.60000112.1Y285 H289Y285-V291 WeakPolarHBondContact CD1-O 3.47Å; Y285-V291 HydrophobicContact CE1-CG2 4.13Å; Y285-V291 WeakPolarHBondContact CE1-O 3.26Å; H289-V291 HydrophobicContact CB-CG2 3.95Å; H289-V291 PolarHBondContact O-N 3.29Å
292N95.5Very high94.4Very high104 Ų10488.9 Ų88.956%0.55645%0.453SS*.PPolyproline II helixtrans-62.2146.5179.8-74.256000112.1Y285 P294Y285-N292 WeakPolarHBondContact CE1-O 3.2Å; N292-P294 WeakPolarHBondContact O-CD 3.27Å
293R96.9Very high94Very high50 Ų5095.9 Ų95.919%0.18949%0.485CS..PPolyproline II helixtrans-70.8124-179.8-167.9174.3-175.5-95.3-2.7109.7N260 C282 Y285 M297N260-R293 PolarHBondContact ND2-O 2.87Å; N260-R293 WeakPolarHBondContact OD1-CB 3.4Å; N260-R293 PolarHBondContact OD1-N 3.12Å; C282-R293 HydrophobicContact CB-CB 4.41Å; Y285-R293 VanDerWaalsContact CD1-CA 3.43Å; Y285-R293 HydrophobicContact CD1-CB 3.71Å; Y285-R293 HydrophobicContact CD1-CG 4.06Å; Y285-R293 HydrophobicContact CD2-CG 4.06Å; Y285-R293 HydrophobicContact CE1-CB 4.31Å; Y285-R293 HydrophobicContact CG-CB 3.87Å; Y285-R293 HydrophobicContact CG-CG 3.78Å; R293-M297 PolarHBondContact NH1-O 3.22Å; R293-M297 PolarHBondContact NH2-O 3.5Å
294P96.1Very high93.3Very high49 Ų49101.8 Ų101.832%0.31852%0.518SS..PPolyproline II helixtrans-67.8141.6-179.927.6-34.4000110.7Y285 N292 T296 M297Y285-P294 WeakPolarHBondContact OH-CD 3.44Å; N292-P294 WeakPolarHBondContact O-CD 3.27Å; P294-T296 PolarHBondContact O-N 2.83Å; P294-M297 HydrophobicContact CG-CG 3.97Å; P294-M297 HydrophobicContact CG-SD 3.87Å; P294-M297 PolarHBondContact O-N 3.38Å; P294-M297 VanDerWaalsContact O-N 3.08Å
295L94.7Very high92.7Very high112 Ų112108.2 Ų108.259%0.58654%0.537SS*.G310 helixtrans-66.6-24.7-176.3-64.5179.2000112.7C261 M297 R298C261-L295 HydrophobicContact CB-CD2 4.14Å; L295-M297 PolarHBondContact O-N 3.3Å; L295-M297 VanDerWaalsContact O-N 3.16Å; L295-R298 WeakPolarHBondContact O-CB 3.28Å; L295-R298 PolarHBondContact O-N 3.08Å
296T94.1Very high91.6Very high135 Ų135113.1 Ų113.183%0.82857%0.567SS**G310 helixtrans-58.5-23171.453.50000113.6P294P294-T296 PolarHBondContact O-N 2.83Å
297M92.7Very high90.4Very high97 Ų97119.1 Ų119.148%0.47859%0.589SS.*G310 helixtrans-92.20.2173.5-62-176.986.900113.4Y285 R293 P294 L295Y285-M297 HydrophobicContact CE2-SD 3.92Å; R293-M297 PolarHBondContact NH1-O 3.22Å; R293-M297 PolarHBondContact NH2-O 3.5Å; P294-M297 HydrophobicContact CG-CG 3.97Å; P294-M297 HydrophobicContact CG-SD 3.87Å; P294-M297 PolarHBondContact O-N 3.38Å; P294-M297 VanDerWaalsContact O-N 3.08Å; L295-M297 PolarHBondContact O-N 3.3Å; L295-M297 VanDerWaalsContact O-N 3.16Å
298R91.4Very high89.2Confident102 Ų102119.7 Ų119.739%0.38559%0.591SS.*  trans-63.2144.7173.7179.7173.8152174.3-18.5109.5C261 L295 D300C261-R298 PolarHBondContact O-NH1 2.87Å; L295-R298 WeakPolarHBondContact O-CB 3.28Å; L295-R298 PolarHBondContact O-N 3.08Å; R298-D300 IonicContact CZ-OD1 3.75Å; R298-D300 IonicContact NE-OD1 2.67Å; R298-D300 PolarHBondContact NE-OD1 3.18Å; R298-D300 IonicContact NH2-OD1 3.48Å; R298-D300 PolarHBondContact NH2-OD1 3.33Å
299K91.9Very high87.3Confident142 Ų142116.6 Ų116.662%0.61758%0.584SS**  trans-142.9131.6166.9-171.2167.6-171.7160.70107.7
300D85.3Confident85.2Confident105 Ų105117.3 Ų117.356%0.56160%0.6SS**SBendtrans-80-23.9-167-49.6-80000112.5R298R298-D300 IonicContact CZ-OD1 3.75Å; R298-D300 IonicContact NE-OD1 2.67Å; R298-D300 PolarHBondContact NE-OD1 3.18Å; R298-D300 IonicContact NH2-OD1 3.48Å; R298-D300 PolarHBondContact NH2-OD1 3.33Å
301G87.3Confident83.3Confident47 Ų47114.8 Ų114.849%0.48561%0.608SS.*SBendtrans-86.6126.5169.900000112.9Q303G301-Q303 PolarHBondContact O-N 2.88Å; G301-Q303 VanDerWaalsContact O-N 3.12Å
302I88.6Confident81.5Confident63 Ų63120.6 Ų120.632%0.32363%0.627SS.*  trans-65.7109.2168.6-62.2178.3000109.1T267 T304T267-I302 HydrophobicContact CG2-CD1 4.49Å; T267-I302 HydrophobicContact CG2-CG2 3.57Å; I302-T304 PolarHBondContact O-N 2.76Å
303Q87.5Confident79.2Confident150 Ų150118.8 Ų118.870%0.70163%0.633SS**  trans-66.8129.4173.4-61.9-173.612.700111G301G301-Q303 PolarHBondContact O-N 2.88Å; G301-Q303 VanDerWaalsContact O-N 3.12Å
304T83.1Confident77.1Confident140 Ų140126.4 Ų126.486%0.85967%0.667SS**  trans-90.2134.8168.754.30000109.6I302I302-T304 PolarHBondContact O-N 2.76Å
305R83.2Confident74.8Confident220 Ų220133.6 Ų133.683%0.8369%0.693SS**  trans-117.5127.9171.4-178.6177.8179.9179.34.8108.6R307R305-R307 PolarHBondContact O-N 3.1Å
306N74.4Confident72.7Confident154 Ų154138 Ų13882%0.82471%0.708SS**  trans-61.9112.7168.8-171.94.3000108.8K308N306-K308 PolarHBondContact O-N 3.45Å
307R71.9Confident70.4Confident215 Ų215143 Ų14381%0.81171%0.712SS**  trans-85.3102178.1-68.1-172.8-178.5-167.80.5108R305 A309R305-R307 PolarHBondContact O-N 3.1Å; R307-A309 PolarHBondContact O-N 3.04Å
308K70.9Confident68Low192 Ų192141.4 Ų141.484%0.83572%0.72SS**  trans-49.5127.2161.666.2179.1-178.4178.50107.9N306 S310N306-K308 PolarHBondContact O-N 3.45Å; K308-S310 PolarHBondContact O-N 3.42Å
309A58.3Low65.8Low65 Ų65142.7 Ų142.754%0.53775%0.745SS.*  trans-59.4114.2-177.300000108N238 R307 G311N238-A309 HydrophobicContact CB-CB 4.1Å; R307-A309 PolarHBondContact O-N 3.04Å; A309-G311 PolarHBondContact O-N 2.87Å; A309-G311 VanDerWaalsContact O-N 3.1Å
310S51.7Low63.7Low111 Ų111141.3 Ų141.378%0.77675%0.753SS**  trans-65.9117.6-174.4-170.30000108.8K308 K312K308-S310 PolarHBondContact O-N 3.42Å; S310-K312 PolarHBondContact O-N 3.05Å
311G57.5Low61.8Low75 Ų75144.7 Ų144.777%0.77377%0.77SS**  trans-67.977.4174.400000109.9A309 G313A309-G311 PolarHBondContact O-N 2.87Å; A309-G311 VanDerWaalsContact O-N 3.1Å; G311-G313 WeakPolarHBondContact O-CA 3.49Å; G311-G313 PolarHBondContact O-N 3.06Å
312K58.2Low59.4Low205 Ų205146.7 Ų146.789%0.89179%0.79SS**  trans-58.7109.3179-166.8173.7-176.7-178.50107.4S310 K314S310-K312 PolarHBondContact O-N 3.05Å; K312-K314 PolarHBondContact O-N 2.81Å
313G48.4Very low56.8Low66 Ų66147.5 Ų147.568%0.6882%0.815SS**  trans-58.3133.5-150.600000114.1G311 K315G311-G313 WeakPolarHBondContact O-CA 3.49Å; G311-G313 PolarHBondContact O-N 3.06Å; G313-K315 PolarHBondContact O-N 2.97Å
314K52.3Low54.5Low209 Ų209147.6 Ų147.691%0.90983%0.826SS**  trans-63.481.8154.6-76.9-177.2177.2176.30108.1K312 K316K312-K314 PolarHBondContact O-N 2.81Å; K314-K316 PolarHBondContact O-N 3.32Å
315K47Very low52.1Low200 Ų200144.8 Ų144.887%0.8782%0.824SS**  trans-57.8111.9154.8-112.2-170.7176.3-173.60105.2G313 R317G313-K315 PolarHBondContact O-N 2.97Å; K315-R317 VanDerWaalsContact C-N 3.32Å; K315-R317 PolarHBondContact O-N 3.1Å
316K50.5Low49.9Very low205 Ų205139.6 Ų139.689%0.89183%0.828SS**  trans-58.8100.9166-76.1-175.5176.9-178.50106.2K314 G318K314-K316 PolarHBondContact O-N 3.32Å; K316-G318 PolarHBondContact O-N 2.77Å
317R46.8Very low48.1Very low240 Ų240137.1 Ų137.191%0.90683%0.829SS**  trans-68.7112.2152.2-72.9-174.7178.4-98.85.6104.1K315K315-R317 VanDerWaalsContact C-N 3.32Å; K315-R317 PolarHBondContact O-N 3.1Å
318G42.7Very low46.4Very low64 Ų64136.3 Ų136.366%0.6684%0.835SS**  trans-62.4139177.300000109.6K316 S320K316-G318 PolarHBondContact O-N 2.77Å; G318-S320 PolarHBondContact O-N 3.28Å
319S43.5Very low44.6Very low129 Ų129130.6 Ų130.690%0.90283%0.83SS**  trans-74.9108.2166.4-600000108
320S47.7Very low44.4Very low112 Ų112133.6 Ų133.678%0.78384%0.844SS**  trans-111.877.1172.157.70000109.4G318G318-S320 PolarHBondContact O-N 3.28Å
321L46.7Very low43.6Very low177 Ų177133.1 Ų133.193%0.92785%0.847SS**  trans-145.7133.7172.3-76.1177.9000108.8
322G36.5Very low42.5Very low88 Ų88133.7 Ų133.791%0.90785%0.853SS**  trans94.7116.8176.700000113.7
323G33.8Very low41.4Very low81 Ų81127.8 Ų127.884%0.83585%0.85SS**  trans162.554.5-177.700000113.3
324T38.7Very low40.8Very low152 Ų152133.7 Ų133.793%0.93386%0.858SS**  trans-74.8131.9178.145.30000111.8
325G33.4Very low40.2Very low80 Ų80132 Ų13283%0.82586%0.855SS**  trans-143.6135.2165.300000109.1
326A37.4Very low40.2Very low111 Ų111128.8 Ų128.892%0.91785%0.852SS**  trans-112.5140.4-175.800000111.2
327A36.8Very low39.6Very low102 Ų102126 Ų12684%0.84385%0.851SS**  trans-150.6163.2166.700000108.5
328E35.2Very low39.1Very low199 Ų199119.3 Ų119.393%0.9385%0.848SS**  trans-79.5171-158.3-62.6166.9111.300115.1
329G33.9Very low38.6Very low72 Ų72120.2 Ų120.274%0.74286%0.857SS**  trans-86.5-150.3-179.900000114.2
330P53Low38Very low128 Ų128117.5 Ų117.583%0.83185%0.849SS**  cis-139.6-174.12043.7-25.8000117.1
331A36.7Very low37.6Very low101 Ų101118.7 Ų118.784%0.83586%0.858SS**  trans80.6137.1153.400000120.7
332G34Very low36.9Very low87 Ų87114.1 Ų114.190%0.89785%0.853SS**  trans96.1109.8170.600000115.5
333G34.5Very low37.2Very low81 Ų81116.3 Ų116.384%0.83585%0.854SS**  cis142.944-8.300000116.5
334F35.1Very low37.1Very low190 Ų190116.4 Ų116.483%0.83386%0.856SS**  trans-149.9146.1168.3-164.2-108.6000112.7V336F334-V336 HydrophobicContact CE1-CG1 4.14Å; F334-V336 HydrophobicContact CE1-CG2 4.33Å
335M40.9Very low37.1Very low172 Ų172116.2 Ų116.285%0.84785%0.849SS**  trans-121.1141.8176.4-65.5-170.3-64.300110.8
336V46.6Very low37.1Very low133 Ų133118.1 Ų118.181%0.80685%0.848SS**  trans-144.7154.4148.7-91.90000109.3F334F334-V336 HydrophobicContact CE1-CG1 4.14Å; F334-V336 HydrophobicContact CE1-CG2 4.33Å
337V38.7Very low36.8Very low146 Ų146116.5 Ų116.589%0.88584%0.842SS**  trans-92.4156-161.6172.50000112.7
338A36.2Very low36.8Very low101 Ų101120.4 Ų120.484%0.83584%0.843SS**  trans-71.1150.5178.800000114
339G30.5Very low36.8Very low82 Ų82117.7 Ų117.785%0.84584%0.84SS**  trans-138.1141.3160.900000108.5
340G32.9Very low36.7Very low72 Ų72118.5 Ų118.574%0.74284%0.839SS**  trans-138.7-172.5-170.300000114.2
341S38.2Very low36.1Very low138 Ų138118.5 Ų118.597%0.96584%0.843SS**  trans67.6126.1174.8-59.40000116.5
342G32.5Very low35.7Very low80 Ų80117.5 Ų117.583%0.82584%0.842SS**  trans179.878.8178.100000112.9
343S42.4Very low35.9Very low134 Ų134122 Ų12294%0.93784%0.844SS**  trans-80125.3170.552.80000110.7
344G32.5Very low35.9Very low84 Ų84124.9 Ų124.987%0.86685%0.846SS**  trans-146.8141.8176.300000111.8
345N37.4Very low35.9Very low147 Ų147123.9 Ų123.979%0.78685%0.849SS**  trans-123.8152.8-178.3175.146.4000110.3
346C33.6Very low35.3Very low120 Ų120118.8 Ų118.881%0.81184%0.84SS**  trans54.7167.3168.672.90000117.8
347G31.7Very low36.1Very low77 Ų77118.5 Ų118.579%0.79484%0.841SS**  trans141.875.7177.100000114.7
348E36.3Very low36.9Very low184 Ų184117.4 Ų117.486%0.8684%0.837SS**  trans-78.1137.4160.2172.8-168.4125.700109.6
349V34.7Very low36.8Very low143 Ų143115.7 Ų115.787%0.86783%0.83SS**  trans-176.6168.4135.7-91.40000109.9
350A32.9Very low37.2Very low88 Ų88119.2 Ų119.273%0.72784%0.835SS**  trans-126.3164.8-176.300000113.5
351S39.3Very low37.4Very low129 Ų129120.1 Ų120.190%0.90284%0.835SS**  trans68121160.3-590000119.1
352G30Very low37.3Very low79 Ų79123 Ų12381%0.81483%0.833SS**  trans-156.8130.6164.400000110.4
353L36.2Very low37.5Very low181 Ų181125.6 Ų125.695%0.94883%0.827SS**  trans-103.6153.1-177-66.4166000111.1
354T35Very low37Very low143 Ų143129.4 Ų129.488%0.87782%0.823SS**  trans-151.6165.5153.9-162.90000111.4
355L35.1Very low37.4Very low168 Ų168132.9 Ų132.988%0.8882%0.816SS**  trans-117.6156.7-163.1-66.9150000112.4
356G28.4Very low37.3Very low65 Ų65129 Ų12967%0.6781%0.812SS**  trans-111-144.5164.100000110.7
357P63.7Low37.5Very low127 Ų127131.9 Ų131.983%0.82582%0.818SS**  cis-94.7-120.3-11.540.4-30.8000109.1
358P55.8Low37.5Very low123 Ų123131.5 Ų131.580%0.79981%0.814SS**  cis-97.7-176.7-8.741.6-34.1000113.1
359G34.7Very low38.5Very low66 Ų66128.4 Ų128.468%0.6881%0.81SS**  cis129.287.4-1100000115.8
360T37.4Very low38.6Very low156 Ų156128.9 Ų128.996%0.95781%0.812SS**  trans-156.8160.6159.810.10000109.8
361A36.8Very low38.8Very low91 Ų91129.7 Ų129.775%0.75281%0.808SS**  trans-134.9164.6-163.400000114.5
362H36.4Very low38.7Very low199 Ų199132.1 Ų132.192%0.92181%0.81SS**  trans-146.8160.8157.3-126.4-92.5000111.2
363L37.5Very low39.1Very low134 Ų134133.5 Ų133.570%0.70281%0.808SS**  trans-153131.2-153.6-172.3178.2000110.5
364Y32.1Very low39.1Very low213 Ų213128.3 Ų128.384%0.83580%0.798SS**  trans-168.1157.9146.3-130.3-104.2000114.8
365Q40.3Very low40.2Very low157 Ų157127.3 Ų127.373%0.73479%0.793SS**  trans-91.6-176.3169.1-57.2111.6-43.400110.8
366G34.6Very low40.6Very low67 Ų67125.7 Ų125.769%0.69179%0.79SS**  cis-154.2-164.3-2.600000107.5
367L38.9Very low41.1Very low180 Ų180127.7 Ų127.794%0.94279%0.794SS**  cis-153.817420.1-70.8164000109.4
368G31Very low40.1Very low69 Ų69130 Ų13071%0.71179%0.793SS**  trans-95.3-146.7166.400000112.5
369P57.3Low39.2Very low119 Ų119132.1 Ų132.177%0.77380%0.797SS**  cis-139.3172.2-8.542.4-26.3000115.3
370V37.2Very low39.5Very low152 Ų152137.3 Ų137.392%0.92181%0.806SS**  trans-140.1147.7148.9-177.80000108.6
371V36.1Very low40.4Very low106 Ų106135.7 Ų135.764%0.64280%0.798SS**  trans-107.7146.1-166.7178.40000112.3
372L38.3Very low40.7Very low179 Ų179140.8 Ų140.894%0.93780%0.804SS**  trans-139.8129153.8-142.376.3000109.5
373S39Very low41.4Very low109 Ų109137.3 Ų137.376%0.76280%0.799SS**  trans-107.5165.7-171.7-600000113.2
374G35.8Very low41.3Very low72 Ų72134 Ų13474%0.74280%0.796SS**  trans-90.4-127.4-172.800000116.3
375P58.5Low42.6Very low121 Ų121129.5 Ų129.579%0.78679%0.793SS**  -129.3162.2-9939.2-28.4000117
376V42.5Very low42.5Very low134 Ų134129.1 Ų129.181%0.81280%0.796SS**  trans27.6118.8150.9-176.10000119.4
377S39.7Very low42.7Very low108 Ų108134 Ų13476%0.75581%0.805SS**  trans-169144.3131.6-87.20000115.3
378H41.6Very low42.5Very low174 Ų174129.1 Ų129.181%0.80680%0.798SS**  trans13.7125154.8-78-103.8000121.8
379L36.8Very low43.1Very low168 Ų168131.3 Ų131.388%0.8880%0.802SS**  175.3160.3107.5-94.1167.2000113
380M42.2Very low42.9Very low176 Ų176131.9 Ų131.987%0.86781%0.807SS**  trans-118.8148.8165.8-72.4-80.5-174.300107.6
381P56.4Low43.1Very low122 Ų122130.8 Ų130.879%0.79280%0.8SS**  -150.7176.395.738.5-20000117.2
382F41.7Very low43.1Very low198 Ų198128.8 Ų128.887%0.86880%0.801SS**  trans-32.2155.1164.2-80.8-79.7000117.6
383P52.7Low43.2Very low126 Ų126125.6 Ų125.682%0.81879%0.794SS**  -143.8176.454.341.1-21.9000118.9
384G34.7Very low43.3Very low63 Ų63130 Ų13065%0.64980%0.799SS**  trans-110-147.3161.300000110.6
385P59.5Low44.4Very low119 Ų119132.4 Ų132.477%0.77380%0.802SS**  cis-128.6-170.5-6.442.8-27.4000113
386L37.7Very low44.1Very low150 Ų150133.6 Ų133.679%0.78581%0.808SS**  173.1146.4125.8-93.5173.3000114.1
387L39.2Very low44.1Very low169 Ų169130.2 Ų130.289%0.88580%0.8SS**  trans54.6128.9154.1-69.8160.8000121.4
388G33.9Very low45Very low77 Ų77131.2 Ų131.279%0.79480%0.804SS**  trans148.761.1158.800000118.2
389S44.9Very low45.8Very low115 Ų115131.1 Ų131.180%0.80481%0.806SS**  trans-101.6153.7162.9-550000110.3
390P52.6Low47.1Very low132 Ų132128.4 Ų128.486%0.85780%0.798SS**  -135.4160.694.138.2-28.3000114.7
391T40.8Very low48Very low128 Ų128125.6 Ų125.679%0.78579%0.793SS**  trans-80.2129.2178.747.70000112.5
392G36.8Very low47.7Very low65 Ų65126.4 Ų126.467%0.6780%0.796SS**  trans-112.882.7171.800000112.3
393S39.8Very low48.2Very low111 Ų111123 Ų12378%0.77679%0.791SS**  trans-81.7114.1-178.6-54.30000111.7
394F41.3Very low48Very low201 Ų201122.2 Ų122.288%0.88279%0.789SS**PPolyproline II helixtrans-99.5121.1172.1-75.2-79.7000111.1
395P59Low48.6Very low124 Ų124123.7 Ų123.781%0.80580%0.795SS**PPolyproline II helixtrans-80.3146.7178.632.2-34.5000112.3G397P395-G397 PolarHBondContact O-N 3.21Å
396T52.7Low48.2Very low146 Ų146123.7 Ų123.790%0.89679%0.793SS**PPolyproline II helixtrans-71.8117.5176.3-26.80000111
397G42.5Very low48.8Very low63 Ų63123 Ų12365%0.64980%0.795SS**PPolyproline II helixtrans-80.8153.2173.800000113.2P395P395-G397 PolarHBondContact O-N 3.21Å
398P57.8Low49.6Very low129 Ų129120.8 Ų120.884%0.83879%0.788SS**PPolyproline II helixtrans-74.9157.2-174.8-16.532000114.8
399M58.8Low50.6Low172 Ų172120.9 Ų120.985%0.84778%0.781SS**PPolyproline II helixtrans-67.3145.1166.5-75.3169.150.500111.8
400P64.9Low51.4Low110 Ų110121.2 Ų121.271%0.71478%0.781SS**PPolyproline II helixtrans-72.2142.6164.831.5-33.7000110.7
401P59.9Low51.4Low118 Ų118123.1 Ų123.177%0.76678%0.783SS**PPolyproline II helixtrans-76.7123.6175.630.1-33.1000111.3T403P401-T403 PolarHBondContact O-N 3.17Å
402T49.8Very low52Low138 Ų138122.7 Ų122.785%0.84779%0.785SS**  trans-72106.1170.3-52.70000109.7S404T402-S404 PolarHBondContact O-N 2.61Å
403T53Low53Low127 Ų127128.9 Ų128.978%0.77982%0.818SS**  trans-72.7108.8176.444.70000111.5P401 A405P401-T403 PolarHBondContact O-N 3.17Å; T403-A405 PolarHBondContact O-N 3.12Å; T403-A405 VanDerWaalsContact O-N 3.09Å
404S47.5Very low53.7Low109 Ų109129.8 Ų129.876%0.76282%0.82SS**  trans-67.899.4173.7-58.80000111.6T402 T406T402-S404 PolarHBondContact O-N 2.61Å; S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 VanDerWaalsContact O-N 3.09Å
405A47.5Very low54.4Low94 Ų94126 Ų12678%0.77782%0.817SS**  trans-78.487174.800000111.2T403 V407T403-A405 PolarHBondContact O-N 3.12Å; T403-A405 VanDerWaalsContact O-N 3.09Å; A405-V407 PolarHBondContact O-N 3.46Å; A405-V407 VanDerWaalsContact O-N 3.11Å
406T52.1Low54.1Low120 Ų120126.1 Ų126.174%0.73682%0.817SS**  trans-69.5102171.9-56.60000110.1S404 V408S404-T406 PolarHBondContact O-N 2.75Å; S404-T406 VanDerWaalsContact O-N 3.09Å; T406-V408 HydrophobicContact CG2-CG2 4.32Å; T406-V408 PolarHBondContact O-N 3.39Å
407V50.4Low54.2Low136 Ų136124.9 Ų124.982%0.82481%0.813SS**  trans-76.7101.8171.4-179.90000108.9A405A405-V407 PolarHBondContact O-N 3.46Å; A405-V407 VanDerWaalsContact O-N 3.11Å
408V54.7Low54.9Low121 Ų121128.8 Ų128.873%0.73382%0.823SS**PPolyproline II helixtrans-76.8119.2168.4179.70000108.3T406T406-V408 HydrophobicContact CG2-CG2 4.32Å; T406-V408 PolarHBondContact O-N 3.39Å
409A55.8Low54.7Low80 Ų80128.8 Ų128.866%0.66182%0.822SS**PPolyproline II helixtrans-77.4135.1170.600000109.9
410P61.9Low54.4Low122 Ų122125.7 Ų125.779%0.79282%0.82SS**PPolyproline II helixtrans-69.7138.5173.129.3-33.5000110.6
411L51.9Low53.6Low172 Ų172126.9 Ų126.990%0.90183%0.828SS**PPolyproline II helixtrans-71.7127166.2-76.5154.2000109.2
412S54.9Low53.1Low118 Ų118127.7 Ų127.783%0.82583%0.833SS**PPolyproline II helixtrans-79.6145.6160.2-64.80000109.7
413S57.6Low53.4Low195 Ų195126.7 Ų126.7100%1.36483%0.832SS**  trans-75.60175.9-49.80000113

Retrieved 413 of 413 residues in 123.5 ms (Link to these results)