A0A087YS15_POEFO Loading...

Transcription factor Sp7

Transcriptional activator essential for osteoblast differentiation. Binds to SP1 and EKLF consensus sequences and to other G/C-rich sequences.

AlphaFold DB , UniProt , Accession A0A087YS15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.2Very low34.2Very low236 Ų236167 Ų167100%1.16382%0.818SS**  0109.30-55.172.8166.500105.8
2A24.8Very low33.8Very low87 Ų87160.3 Ų160.372%0.71981%0.809SS**  cis85.983.749.400000113.9
3H31.5Very low33.4Very low181 Ų181157.5 Ų157.584%0.83881%0.809SS**  trans58.5167.3145-66.3-81.3000120.9
4P43.8Very low33.2Very low112 Ų112154.8 Ų154.873%0.72781%0.811SS**  cis-128.3158.1-13.720.42.3000115.3
5Y31.7Very low33Very low214 Ų214152.3 Ų152.384%0.83981%0.812SS**  trans-119.8127.9142.9175.8-90.5000106
6E36.9Very low32.9Very low153 Ų153148.2 Ų148.272%0.71582%0.817SS**  trans-146.7158175.8-93-63.310100110.2
7P46.8Very low32.5Very low75 Ų75145 Ų14549%0.48781%0.807SS.*  trans-103.6174.5-156.141-37.7000114.2
8W31Very low32.7Very low256 Ų256144.1 Ų144.197%0.9781%0.812SS**  trans-124.584.5168.4-57.995.8000111.3
9L32.1Very low32.7Very low151 Ų151144.9 Ų144.979%0.79181%0.809SS**  trans-81.5130.7155.3-95.8167.5000108.8
10R32.2Very low32.9Very low225 Ų225147.5 Ų147.585%0.84981%0.814SS**  trans38.8117.9159.3-68.9-176171.7-153.9-2.8118.7
11T30.7Very low32.9Very low147 Ų147149 Ų14990%0.90282%0.817SS**  -119.2137.3123.842.20000109.2
12A29.6Very low33Very low86 Ų86144.7 Ų144.771%0.71180%0.799SS**  trans-111.7131171.300000107.9
13P28Very low33.5Very low125 Ų125147.6 Ų147.681%0.81280%0.801SS**  trans-76.9123.3167.930-30.4000109.5
14S30.8Very low33.9Very low119 Ų119143.4 Ų143.483%0.83279%0.79SS**  trans-99.292175.157.90000111.2
15S30.3Very low33.7Very low118 Ų118140.1 Ų140.183%0.82577%0.77SS**  trans-162.4139.3155.847.40000108.9
16G31.1Very low34.3Very low86 Ų86137 Ų13789%0.88776%0.756SS**  trans-89135.3-168.600000114.1
17S26Very low34.5Very low94 Ų94138 Ų13866%0.65775%0.754SS**  trans-137.1138.8131.3560000108.1E19S17-E19 PolarHBondContact O-N 3.45Å
18S37.1Very low34.2Very low128 Ų128138.5 Ų138.590%0.89575%0.753SS**  trans-86.184.5179.1520000109.8
19E32.5Very low34.8Very low161 Ų161133.1 Ų133.175%0.75274%0.742SS**  trans-110121.2167.5-74.9177.4107.500109.3S17 M21S17-E19 PolarHBondContact O-N 3.45Å; E19-M21 PolarHBondContact O-N 3Å; E19-M21 VanDerWaalsContact O-N 3.08Å
20E36.1Very low35Very low196 Ų196132.4 Ų132.492%0.91673%0.734SS**  trans-64.8109.6177.6-66.4-172.2109.400109.3N22E20-N22 PolarHBondContact O-N 3.21Å
21M32.5Very low35.4Very low178 Ų178131.8 Ų131.888%0.87773%0.732SS**  trans-66.189.5168.1-84.8-176.1-95.600109.4E19 I23E19-M21 PolarHBondContact O-N 3Å; E19-M21 VanDerWaalsContact O-N 3.08Å; M21-I23 VanDerWaalsContact C-N 3.33Å; M21-I23 PolarHBondContact O-N 3.36Å
22N36.7Very low35.8Very low146 Ų146131.1 Ų131.178%0.78172%0.723SS**  trans-65.492.2169.2-174.10.4000108.7E20 P24E20-N22 PolarHBondContact O-N 3.21Å; N22-P24 WeakPolarHBondContact O-CD 3.17Å
23I37.1Very low36.4Very low148 Ų148132.9 Ų132.976%0.75972%0.724SS**  trans-65.2113.2-179.7-57.8176.3000108.1M21 S25M21-I23 VanDerWaalsContact C-N 3.33Å; M21-I23 PolarHBondContact O-N 3.36Å; I23-S25 PolarHBondContact O-N 3.48Å
24P40.1Very low36.9Very low93 Ų93136.6 Ų136.660%0.60473%0.731SS**  trans-63.3129.1-175.7-23.235.3000111.3N22N22-P24 WeakPolarHBondContact O-CD 3.17Å
25S38.4Very low37Very low43 Ų43134.9 Ų134.930%0.30172%0.724SS.*  trans-63.7138.1174.3310000111.8I23 W27 D28I23-S25 PolarHBondContact O-N 3.48Å; S25-W27 PolarHBondContact O-N 3.45Å; S25-W27 PolarHBondContact OG-NE1 3.08Å; S25-D28 WeakPolarHBondContact O-CB 3.45Å; S25-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact OG-OD2 3.03Å
26W45.1Very low37.5Very low149 Ų149133.5 Ų133.556%0.56473%0.728SS**THydrogen-bonded Turntrans-60.3-12.1-172.667.9-87.7000116D28W26-D28 VanDerWaalsContact C-N 3.26Å
27W40.1Very low37.5Very low174 Ų174133.6 Ų133.666%0.65972%0.715SS**THydrogen-bonded Turntrans-69.7-22.7171.238.567.2000113S25 H30S25-W27 PolarHBondContact O-N 3.45Å; S25-W27 PolarHBondContact OG-NE1 3.08Å; W27-H30 PolarHBondContact O-N 2.8Å
28D40.1Very low37.9Very low86 Ų86140.5 Ų140.546%0.4673%0.727SS.*G310 helixtrans-73.8-25.5178.8-62-66.1000113.1S25 W26 H30S25-D28 WeakPolarHBondContact O-CB 3.45Å; S25-D28 PolarHBondContact O-N 3.11Å; S25-D28 PolarHBondContact OG-OD2 3.03Å; W26-D28 VanDerWaalsContact C-N 3.26Å; D28-H30 VanDerWaalsContact C-N 3.28Å; D28-H30 PolarHBondContact O-N 3.27Å
29L44.6Very low38.2Very low143 Ų143139.9 Ų139.975%0.74971%0.713SS**G310 helixtrans-77.9-6.4174.8-102.383.7000114.2
30H37Very low38.5Very low136 Ų136136.4 Ų136.463%0.6370%0.699SS**G310 helixtrans-96.510.5-167.2-140.7-63000114.8W27 D28W27-H30 PolarHBondContact O-N 2.8Å; D28-H30 VanDerWaalsContact C-N 3.28Å; D28-H30 PolarHBondContact O-N 3.27Å
31R40.3Very low39.1Very low212 Ų212135.4 Ų135.480%0.870%0.699SS**G310 helixtrans-92.8-11.6179.7-170.1158.756.7-148.4-7.2114.6
32D37.9Very low39.8Very low133 Ų133135.6 Ų135.671%0.71170%0.698SS**  trans-113.463.1-176-69.6-67.2000113.4
33V42.5Very low40.8Very low122 Ų122133.6 Ų133.674%0.73969%0.691SS**SBendtrans-127.839.7168.2-162.50000110.9
34Q37.9Very low41.3Very low203 Ų203129.3 Ų129.395%0.94968%0.684SS**SBendtrans-139.81.2169.8-113.8178-4.600115.6
35A34.6Very low41.2Very low83 Ų83132.4 Ų132.469%0.68669%0.69SS**  trans-114.6109169.800000110S37A35-S37 PolarHBondContact O-N 2.92Å
36G39.6Very low41.2Very low89 Ų89135 Ų13592%0.91871%0.708SS**  trans-84.691.9175.500000111.9
37S32.4Very low40.9Very low88 Ų88134.4 Ų134.462%0.61572%0.72SS**  trans-166144153.4-164.20000110.5A35A35-S37 PolarHBondContact O-N 2.92Å
38W34.3Very low40.7Very low240 Ų240129.5 Ų129.591%0.90972%0.724SS**  trans-92.1124.1168.6-68.682.5000108.8
39I43.2Very low40.6Very low115 Ų115132 Ų13259%0.5974%0.742SS**  trans-121.1129.5170.515.1172.6000108.5L41I39-L41 PolarHBondContact O-N 3.06Å
40D39.2Very low40.2Very low88 Ų88131 Ų13147%0.47175%0.745SS.*  trans-72.8119.4173.5179-86000109.7Q42 T43 G44D40-Q42 PolarHBondContact O-N 3.03Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.33Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.42Å; D40-Q42 PolarHBondContact OD1-N 2.89Å; D40-T43 PolarHBondContact O-N 2.91Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 VanDerWaalsContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; D40-G44 PolarHBondContact O-N 3.39Å
41L46.8Very low39.9Very low174 Ų174129.9 Ų129.991%0.91175%0.752SS**THydrogen-bonded Turntrans-72-4.4-174.5-103.584.2000114.4I39I39-L41 PolarHBondContact O-N 3.06Å
42Q48.2Very low39.5Very low183 Ų183127 Ų12786%0.85576%0.757SS**THydrogen-bonded Turntrans-98-20.8178.9-147.2108.718.500112.5D40D40-Q42 PolarHBondContact O-N 3.03Å; D40-Q42 WeakPolarHBondContact OD1-CA 3.33Å; D40-Q42 WeakPolarHBondContact OD1-CB 3.42Å; D40-Q42 PolarHBondContact OD1-N 2.89Å
43T57.9Low39.3Very low104 Ų104126 Ų12664%0.63876%0.761SS**THydrogen-bonded Turntrans-138-16.1-17155.40000116.1D40 Q45D40-T43 PolarHBondContact O-N 2.91Å; D40-T43 PolarHBondContact OD1-N 3.21Å; D40-T43 VanDerWaalsContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; T43-Q45 VanDerWaalsContact C-N 3.34Å; T43-Q45 PolarHBondContact O-N 3.06Å
44G47.9Very low39.1Very low58 Ų58127.3 Ų127.360%0.59877%0.769SS**  trans68.620.5168.700000116.7D40D40-G44 PolarHBondContact O-N 3.39Å
45Q37.6Very low38.6Very low157 Ų157121.2 Ų121.273%0.73476%0.761SS**  trans-113.1148.9173.8-71.1-166.5-27.900112.7T43T43-Q45 VanDerWaalsContact C-N 3.34Å; T43-Q45 PolarHBondContact O-N 3.06Å
46S37.6Very low38.4Very low98 Ų98122.7 Ų122.769%0.68577%0.766SS**PPolyproline II helixtrans-85.8123.7179.658.10000111.9
47V38.8Very low38Very low136 Ų136123.6 Ų123.682%0.82476%0.759SS**PPolyproline II helixtrans-94.7120.9172.7-72.10000111.3
48G36.7Very low38Very low72 Ų72129.1 Ų129.174%0.74278%0.777SS**PPolyproline II helixtrans-77.1149.2175.600000112.5
49V37.5Very low37.7Very low138 Ų138121.2 Ų121.284%0.83677%0.77SS**PPolyproline II helixtrans-67.3133.3175.6-69.20000111.4S51V49-S51 PolarHBondContact O-N 2.79Å
50P36.3Very low37.4Very low123 Ų123124.1 Ų124.180%0.79979%0.786SS**PPolyproline II helixtrans-77118.5175.228.9-32.3000111.1
51S31.2Very low37Very low111 Ų111129 Ų12978%0.77681%0.806SS**PPolyproline II helixtrans-66.1129.1168.5-68.90000111.1V49 S53V49-S51 PolarHBondContact O-N 2.79Å; S51-S53 PolarHBondContact O-N 2.75Å
52V32.3Very low36.3Very low151 Ų151128.6 Ų128.692%0.91581%0.805SS**  trans-80.897.4170.8-72.60000110.5
53S32Very low35.7Very low112 Ų112124.8 Ų124.878%0.78380%0.798SS**  trans-81.9134.9169.140.20000110.9S51 G55S51-S53 PolarHBondContact O-N 2.75Å; S53-G55 PolarHBondContact O-N 2.9Å
54T38.3Very low34.5Very low150 Ų150128.3 Ų128.392%0.9281%0.813SS**  trans-64.3124.317445.70000111.1
55G28.9Very low33.6Very low76 Ų76128.8 Ų128.878%0.78482%0.818SS**  trans-134.9123174.800000111.4S53S53-G55 PolarHBondContact O-N 2.9Å
56S29.7Very low34Very low113 Ų113126.5 Ų126.579%0.7982%0.816SS**  trans-84.3148.9-174.7-58.60000113.8
57S31.5Very low33.7Very low109 Ų109132.9 Ų132.976%0.76283%0.827SS**  trans51.9110.3140.962.10000120.5
58M31.6Very low33.2Very low203 Ų203129.7 Ų129.7100%182%0.821SS**  trans-139.9133.7130-68.3-163.6-16300108.6
59G29.3Very low33.1Very low74 Ų74132 Ų13276%0.76383%0.826SS**  trans177.365.8-172.400000116.8
60L36Very low32.9Very low176 Ų176132 Ų13292%0.92182%0.822SS**  trans54.9105.1150.3-61.8172.5000120.3
61Q32.2Very low33.4Very low190 Ų190131.4 Ų131.489%0.88882%0.817SS**  trans-60.2129.7153.442.5177.3-12.700113.2
62N31.2Very low33.6Very low167 Ų167133.1 Ų133.189%0.89381%0.813SS**  trans-156.3148.2146.5-141.4-4.2000111.4
63S35.9Very low33.5Very low102 Ų102132.9 Ų132.971%0.71381%0.806SS**  trans-95.5154.7-163.8-590000114.9
64L33Very low33.4Very low179 Ų179132.3 Ų132.394%0.93780%0.801SS**  trans159.3135.8130-82.4166.7000110.6
65G27.4Very low33Very low68 Ų68131.9 Ų131.970%0.70180%0.798SS**  trans-107.9-150.7170.300000111.4
66P47.8Very low33.8Very low109 Ų109136 Ų13671%0.70880%0.799SS**  cis-139.2-175.5-10.828.5-3.6000114.8
67Y30.9Very low34.4Very low232 Ų232135.9 Ų135.991%0.9180%0.796SS**  trans67.8136.4166.5-63.7-79.1000120.8
68G28.5Very low34.7Very low68 Ų68136.6 Ų136.670%0.70180%0.798SS**  trans151.483.2155.800000118.5
69S33.9Very low34.9Very low121 Ų121133 Ų13385%0.84679%0.787SS**  trans44.8117.7147.854.30000122.7
70D33.5Very low35.1Very low139 Ų139138 Ų13874%0.74379%0.791SS**  trans-51155.8147.5-119.4-75.4000112.1Q72D70-Q72 PolarHBondContact OD1-N 2.92Å
71P46Very low35.1Very low109 Ų109137.9 Ų137.971%0.70879%0.785SS**  -150.4148.772.840.1-20.9000118.7
72Q36.5Very low35.2Very low147 Ų147134.3 Ų134.369%0.68778%0.776SS**  trans52.8107.4131.9-66.2-67.1-59.200117.8D70D70-Q72 PolarHBondContact OD1-N 2.92Å
73L29.8Very low35.3Very low146 Ų146132.6 Ų132.676%0.76477%0.774SS**  160.9158.978.7-90.8145000106.9
74C28.8Very low35.1Very low101 Ų101133 Ų13368%0.68277%0.773SS**  cis-135.6156.7-2.3-82.40000108.8
75T30.3Very low35.1Very low141 Ų141129.5 Ų129.587%0.86576%0.763SS**  trans-132.2122.4165.8-470000110.4
76M45.4Very low35.5Very low162 Ų162134.3 Ų134.380%0.79877%0.767SS**PPolyproline II helixtrans-87.9145.9172-72.7-69.3162.700110.5
77P43.2Very low34.9Very low110 Ų110134.5 Ų134.571%0.71477%0.771SS**PPolyproline II helixtrans-76.9147.8-175.431.3-35.6000112.6T79P77-T79 PolarHBondContact O-N 3.17Å
78P38.4Very low35.4Very low125 Ų125129.3 Ų129.381%0.81277%0.766SS**PPolyproline II helixtrans-75.2122170.430.1-32.4000110.9Q80P78-Q80 PolarHBondContact O-N 2.9Å
79T34.7Very low35.7Very low126 Ų126134.2 Ų134.277%0.77377%0.77SS**PPolyproline II helixtrans-66.6124.5172.5-7.70000110.3P77P77-T79 PolarHBondContact O-N 3.17Å
80Q33.8Very low35.6Very low180 Ų180136.5 Ų136.584%0.84177%0.772SS**PPolyproline II helixtrans-77.7127.2172.5-63-166.313.100110.5P78P78-Q80 PolarHBondContact O-N 2.9Å
81H35.3Very low35.5Very low173 Ų173138.5 Ų138.580%0.80177%0.774SS**  trans-129127.1158-80.7-79.8000110.3
82T35.2Very low35.3Very low115 Ų115138.5 Ų138.571%0.70677%0.774SS**  trans-71.2139.7-175.548.90000112.6T84T82-T84 PolarHBondContact O-N 3.15Å
83P34Very low35.4Very low131 Ų131139.7 Ų139.785%0.85178%0.784SS**  trans-79.8108.3167.331-31.3000110.9
84T29.8Very low35.6Very low111 Ų111140.1 Ų140.168%0.68179%0.788SS**  trans-73.2129169.6-56.70000110.1T82T82-T84 PolarHBondContact O-N 3.15Å
85S33.1Very low36.1Very low105 Ų105138.6 Ų138.673%0.73479%0.789SS**  trans-73.7131.6178.453.70000112.2
86H36.4Very low36.2Very low170 Ų170141.2 Ų141.279%0.78779%0.789SS**  trans-137.1100.3161-80.6-80.7000109.8
87S35.4Very low35.7Very low113 Ų113142 Ų14279%0.7979%0.788SS**PPolyproline II helixtrans-70.7139.7166.1-53.90000110.4
88P40.7Very low35.2Very low123 Ų123144.9 Ų144.980%0.79979%0.794SS**PPolyproline II helixtrans-90.7147150.831.9-27000110.7
89H34.8Very low35.2Very low171 Ų171146.4 Ų146.479%0.79279%0.79SS**PPolyproline II helixtrans-63.2146.4-172.1-93.3-125000115.1F91H89-F91 HydrophobicContact CB-CE2 4.46Å
90L32.5Very low35.3Very low168 Ų168146.5 Ų146.588%0.8879%0.792SS**PPolyproline II helixtrans-71.8136.8155.1-69.8163.3000109.9
91F31.9Very low35.4Very low182 Ų182146.2 Ų146.280%0.79880%0.796SS**  trans-122.7129.3157.1-86.2-85.6000108.1H89H89-F91 HydrophobicContact CB-CE2 4.46Å
92P41.4Very low35.7Very low108 Ų108141.1 Ų141.170%0.70179%0.79SS**  trans-81.8143.1174.533.3-32.3000110.4
93L38.2Very low36Very low172 Ų172142.2 Ų142.290%0.90180%0.799SS**  trans-129118.9162.2-74.4178.4000108.9
94D34.2Very low36.4Very low156 Ų156144.8 Ų144.883%0.83480%0.8SS**  trans-67.9143.1179-72.6-86.9000113.3
95G40Very low36.9Very low69 Ų69146.9 Ų146.971%0.71180%0.804SS**  trans48.492.6139.700000119.6
96F32.8Very low37Very low195 Ų195147.9 Ų147.986%0.85580%0.8SS**  trans-127.8101.8141.7-103.1-88.3000110.3
97K33.7Very low37Very low180 Ų180148.2 Ų148.278%0.78380%0.802SS**  trans-88118.3173.8179.1-179174.8-171.10108.2
98M33.1Very low37Very low170 Ų170150.4 Ų150.484%0.83780%0.8SS**  trans-108.1122.7165.5-63.3-171.2-157.700108.7
99E39.3Very low36.9Very low157 Ų157153.6 Ų153.673%0.73480%0.804SS**PPolyproline II helixtrans-79.6148.5168.4-73.3-174.483.700110.5
100P35.8Very low37.1Very low127 Ų127151.6 Ų151.683%0.82580%0.804SS**PPolyproline II helixtrans-76.2126.3174.131-32.4000110.7
101L36.8Very low37Very low175 Ų175153.4 Ų153.492%0.91681%0.805SS**PPolyproline II helixtrans-77.3132.6167-68170.3000109.5
102G40.5Very low37Very low66 Ų66149.2 Ų149.268%0.6880%0.799SS**PPolyproline II helixtrans-75.5167.8-179.400000114.1
103P42.7Very low36.9Very low137 Ų137152.4 Ų152.489%0.8981%0.809SS**PPolyproline II helixtrans-79.8120.8179.531.7-32.8000111.8
104E42.1Very low36.8Very low185 Ų185153.6 Ų153.686%0.86481%0.81SS**PPolyproline II helixtrans-102.4158.8168.7-106.2-98.566.900111
105M39Very low37.2Very low156 Ų156154.9 Ų154.977%0.76881%0.811SS**PPolyproline II helixtrans-87.4162.4-149.6-72.6-173.157.800117.2
106L36.6Very low37.2Very low125 Ų125156.5 Ų156.565%0.65481%0.809SS**PPolyproline II helixtrans-57128.6160.5-93.466000111.3Q108L106-Q108 HydrophobicContact CD2-CG 4.08Å
107Q36.8Very low37.2Very low177 Ų177155.9 Ų155.983%0.82781%0.808SS**  trans-110.8111.6138.1-11171.731.700108.5
108Q34.7Very low37.6Very low159 Ų159156 Ų15674%0.74381%0.812SS**  trans-84113.4163.2-70.9169.6-49.700107.5L106 T110L106-Q108 HydrophobicContact CD2-CG 4.08Å; Q108-T110 PolarHBondContact O-N 3.15Å
109E39.1Very low37.6Very low191 Ų191154.1 Ų154.189%0.89381%0.81SS**  trans-81.3115.2162.2-71-152.8112.600109.2F111E109-F111 PolarHBondContact O-N 3Å
110T37.6Very low37.4Very low128 Ų128151.5 Ų151.579%0.78581%0.809SS**  trans-73.9110.8174.648.90000109.8Q108Q108-T110 PolarHBondContact O-N 3.15Å
111F30.8Very low37.7Very low206 Ų206152.5 Ų152.590%0.90481%0.812SS**  trans-93.399169.1-157.4-94000110.2E109E109-F111 PolarHBondContact O-N 3Å
112S32.1Very low37.6Very low95 Ų95150.1 Ų150.166%0.66481%0.81SS**  trans-64.7150.3174.1-70.40000111.9
113L38.3Very low37.8Very low174 Ų174151.7 Ų151.791%0.91182%0.817SS**  trans-70.4131.5167-69.4157.5000110.1
114E36.7Very low37.5Very low198 Ų198156.7 Ų156.793%0.92582%0.818SS**  trans-129.5142.9152.5-83.2-168.58400109.8
115E42.1Very low37.5Very low182 Ų182153.3 Ų153.385%0.8581%0.812SS**  trans-81.2162.3-173.8-91.4-170.898.800113.4
116P40.4Very low37.8Very low104 Ų104155 Ų15568%0.67582%0.816SS**  trans-72.7146.5-176.330.5-35.6000112.9
117Q33.3Very low37.8Very low181 Ų181155.3 Ų155.385%0.84683%0.825SS**  trans-122125.6167.8-69.3-70.3-75.400109.8
118E42Very low37.9Very low183 Ų183155.8 Ų155.886%0.85583%0.827SS**  trans-72.4127.9-174.4-62.2-83.9124.200112.4
119T33.3Very low38Very low131 Ų131159.9 Ų159.980%0.80484%0.836SS**  trans-143.8101.7159.240.10000114.1
120S33.9Very low37.7Very low102 Ų102162.5 Ų162.571%0.71384%0.837SS**  trans27.5112.4143.561.60000121.6
121V42.8Very low37.5Very low147 Ų147161.9 Ų161.989%0.89184%0.838SS**  trans22.2115.2138.9-82.20000120.7
122S34.2Very low37.8Very low125 Ų125157.4 Ų157.487%0.87483%0.832SS**  trans-151.4147.3132.3-167.40000111.2R124S122-R124 PolarHBondContact O-N 2.86Å
123A44.3Very low38.3Very low99 Ų99158.1 Ų158.182%0.81884%0.837SS**PPolyproline II helixtrans-72.8124.2-166.900000113.2
124R37.1Very low38.5Very low242 Ų242161.6 Ų161.691%0.91384%0.839SS**PPolyproline II helixtrans-89.7125.9176.9-145.5175.4-155.1-100.54.8110.7S122S122-R124 PolarHBondContact O-N 2.86Å
125P43.1Very low38.6Very low114 Ų114155.5 Ų155.574%0.7483%0.829SS**PPolyproline II helixtrans-69.5147.5179.727.5-33.8000111.9
126K44.7Very low38.5Very low193 Ų193151.7 Ų151.784%0.83983%0.829SS**PPolyproline II helixtrans-57.8143.8176.9-71.1174.4177.8172.70110.9Q128K126-Q128 PolarHBondContact O-N 2.83Å
127P37.1Very low38.8Very low131 Ų131150 Ų15085%0.85183%0.829SS**  trans-65.9106.5175.227.3-33.5000110.3R129P127-R129 PolarHBondContact O-N 3.16Å
128Q39.2Very low39.3Very low187 Ų187150.8 Ų150.887%0.87483%0.833SS**  trans-64.4131.7169.6-76.8179.5-65.200109.7K126 R130K126-Q128 PolarHBondContact O-N 2.83Å; Q128-R130 PolarHBondContact O-N 3.06Å; Q128-R130 VanDerWaalsContact O-N 3.11Å
129R35.5Very low39.5Very low244 Ų244148 Ų14892%0.92183%0.829SS**  trans-54.8116.7164.6-87.8175.9155.6-115.10.5108.6P127 S131P127-R129 PolarHBondContact O-N 3.16Å; R129-S131 PolarHBondContact O-N 3.4Å
130R32.7Very low40.2Very low246 Ų246150.3 Ų150.393%0.92883%0.833SS**  trans-64.4107163-74.6-173.7176.8-130.40.3108.3Q128 S132Q128-R130 PolarHBondContact O-N 3.06Å; Q128-R130 VanDerWaalsContact O-N 3.11Å; R130-S132 PolarHBondContact O-N 2.89Å
131S33.6Very low40.9Very low116 Ų116150.3 Ų150.381%0.81183%0.831SS**  trans-6696.2165.648.10000108.5R129 S133R129-S131 PolarHBondContact O-N 3.4Å; S131-S133 PolarHBondContact O-N 2.78Å
132S36.7Very low41.5Very low111 Ų111155.2 Ų155.278%0.77683%0.834SS**  trans-64.8118.9170.8-167.80000108.5R130 R134R130-S132 PolarHBondContact O-N 2.89Å; S132-R134 PolarHBondContact O-N 2.81Å
133S42.2Very low42.1Very low110 Ų110153.1 Ų153.177%0.76982%0.818SS**  trans-64.3107.1-178.445.60000109.8S131 G135S131-S133 PolarHBondContact O-N 2.78Å; S133-G135 PolarHBondContact O-N 2.98Å; S133-G135 VanDerWaalsContact O-N 3.16Å
134R43.9Very low42.5Very low248 Ų248155.1 Ų155.194%0.93682%0.823SS**PPolyproline II helixtrans-62116.7165.1-67.4-179.4-176.5172.50.6107.1S132S132-R134 PolarHBondContact O-N 2.81Å
135G37.7Very low43.2Very low70 Ų70151 Ų15172%0.72282%0.819SS**PPolyproline II helixtrans-53.6146.7173.800000110.8S133S133-G135 PolarHBondContact O-N 2.98Å; S133-G135 VanDerWaalsContact O-N 3.16Å
136A40.6Very low43.4Very low102 Ų102148.9 Ų148.984%0.84381%0.806SS**PPolyproline II helixtrans-53.6143.5-174.200000112.1Q138A136-Q138 PolarHBondContact O-N 3.16Å
137G46.1Very low43.7Very low67 Ų67147.2 Ų147.269%0.69181%0.805SS**PPolyproline II helixtrans-63.7129.3-172.500000112.7T139G137-T139 VanDerWaalsContact C-N 3.33Å; G137-T139 PolarHBondContact O-N 3.29Å; G137-T139 VanDerWaalsContact O-N 3.07Å
138Q45.6Very low44.2Very low199 Ų199149.9 Ų149.993%0.9381%0.805SS**  trans-72.494.3157.8-67.3178.435.800107.5A136 M140A136-Q138 PolarHBondContact O-N 3.16Å; Q138-M140 PolarHBondContact O-N 3.14Å; Q138-M140 VanDerWaalsContact O-N 3.13Å
139T45.5Very low44.5Very low125 Ų125145.1 Ų145.177%0.76780%0.798SS**  trans-66.4107.4169.949.40000108.5G137 C141G137-T139 VanDerWaalsContact C-N 3.33Å; G137-T139 PolarHBondContact O-N 3.29Å; G137-T139 VanDerWaalsContact O-N 3.07Å; T139-C141 PolarHBondContact O-N 3.06Å; T139-C141 VanDerWaalsContact O-N 3.14Å
140M47.4Very low44.8Very low179 Ų179142 Ų14288%0.88279%0.793SS**  trans-64.2113.4179.8-174.3-173.7-68.800110.4Q138 R142Q138-M140 PolarHBondContact O-N 3.14Å; Q138-M140 VanDerWaalsContact O-N 3.13Å; M140-R142 PolarHBondContact O-N 3.25Å
141C50Low45.6Very low101 Ų101138.7 Ų138.768%0.68279%0.789SS**  trans-65.8119.3175.5-61.80000110.2T139 C143T139-C141 PolarHBondContact O-N 3.06Å; T139-C141 VanDerWaalsContact O-N 3.14Å; C141-C143 VanDerWaalsContact C-N 3.34Å; C141-C143 PolarHBondContact O-N 3.34Å
142R54.2Low46.1Very low251 Ų251141.8 Ų141.895%0.94779%0.792SS**  trans-96.655.2-175.6-158.4170.6-175.6168.70.2111.7M140M140-R142 PolarHBondContact O-N 3.25Å
143C47.2Very low46.4Very low80 Ų80140.1 Ų140.154%0.54179%0.793SS.*  trans-99133.6178.9-63.60000110.5C141 N145C141-C143 VanDerWaalsContact C-N 3.34Å; C141-C143 PolarHBondContact O-N 3.34Å; C143-N145 PolarHBondContact O-N 2.77Å
144P52Low46.6Very low141 Ų141143.7 Ų143.792%0.91680%0.797SS**THydrogen-bonded Turntrans-67.70.7-177.3-2334.3000116.9
145N51.9Low46.5Very low157 Ų157137 Ų13784%0.8479%0.789SS**THydrogen-bonded Turntrans-14636.9-164.2-128.8-8.9000113.8C143C143-N145 PolarHBondContact O-N 2.77Å
146C47.8Very low47.1Very low68 Ų68139 Ų13946%0.45980%0.799SS.*  trans-92.8133.9173.8-69.10000111.5H148C146-H148 PolarHBondContact O-N 2.8Å
147I51.8Low47.4Very low159 Ų159140 Ų14082%0.81579%0.79SS**SBendtrans-78.349-175.4-39178.4000112.1
148H47.6Very low47.7Very low187 Ų187144.7 Ų144.787%0.86680%0.799SS**  trans-126.318.8173.1-71.6160.6000111.7C146C146-H148 PolarHBondContact O-N 2.8Å
149A45.3Very low48Very low86 Ų86139 Ų13971%0.71178%0.781SS**  trans-94.7-3.5-164.900000115.9
150E41.8Very low48.6Very low178 Ų178144.9 Ų144.983%0.83279%0.789SS**SBendtrans-97.60-165.2-79.8177.592.900116.6
151Q48.4Very low49Very low178 Ų178142.4 Ų142.483%0.83278%0.784SS**SBendtrans-137.961.5175.4-69.9-171.4-4.900113.6
152M43.5Very low49.8Very low180 Ų180143.1 Ų143.189%0.88778%0.776SS**  trans-168.372143.2-85.1-36.9167.500109.9Q154M152-Q154 VanDerWaalsContact C-N 3.34Å; M152-Q154 PolarHBondContact O-N 3.26Å
153G44.5Very low50.7Low76 Ų76137.6 Ų137.678%0.78476%0.761SS**  trans-77.776.7172.100000112.6
154Q45.3Very low52.4Low185 Ų185138 Ų13886%0.86476%0.756SS**SBendtrans-171.3127.7149-103.9149.356.200112.3M152M152-Q154 VanDerWaalsContact C-N 3.34Å; M152-Q154 PolarHBondContact O-N 3.26Å
155S41.4Very low53.9Low108 Ų108133.6 Ų133.676%0.75572%0.723SS**  trans-31.8131.3-179.850.40000117.5D157S155-D157 PolarHBondContact O-N 3.12Å; S155-D157 VanDerWaalsContact O-N 3.08Å
156A51.5Low55.3Low113 Ų113131.2 Ų131.293%0.93471%0.71SS**  trans-70.393153.900000109.6
157D46Very low57Low123 Ų123128.6 Ų128.666%0.65869%0.692SS**  trans-94.6127.1156.4-173.7-97.6000108.5S155 S159S155-D157 PolarHBondContact O-N 3.12Å; S155-D157 VanDerWaalsContact O-N 3.08Å; D157-S159 VanDerWaalsContact C-N 3.27Å; D157-S159 PolarHBondContact O-N 3.47Å
158D52.9Low58.3Low164 Ų164129.9 Ų129.988%0.87769%0.694SS**  trans-79.977.1-175.7-160.6-35.3000109.8
159S52.6Low59.8Low80 Ų80124 Ų12456%0.55967%0.669SS**SBendtrans-150.3145.9167.8-960000114.2D157 T161D157-S159 VanDerWaalsContact C-N 3.27Å; D157-S159 PolarHBondContact O-N 3.47Å; S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 PolarHBondContact O-OG1 3.15Å
160R56.9Low60.6Low248 Ų248125.9 Ų125.994%0.93667%0.674SS**  trans-77.155.1-171.8-162.2-179.2-162.7156.93111.2K162R160-K162 PolarHBondContact O-N 3.29Å
161T55.9Low62Low127 Ų127121.7 Ų121.778%0.77968%0.679SS**  trans-71.473.1-173.9-480000110.8S159 H163S159-T161 PolarHBondContact O-N 3.5Å; S159-T161 PolarHBondContact O-OG1 3.15Å; T161-H163 PolarHBondContact O-N 3.42Å
162K66.3Low63.4Low116 Ų116114.1 Ų114.150%0.50465%0.645SS.*  trans-59.6106.8176.9-175.9174.4-177.4-157.60108.5R160 M164 A177R160-K162 PolarHBondContact O-N 3.29Å; K162-M164 HydrophobicContact CB-CE 4.44Å; K162-M164 WeakPolarHBondContact O-CE 3.45Å; K162-M164 PolarHBondContact O-N 3.39Å; K162-M164 VanDerWaalsContact O-N 3.13Å; K162-A177 HydrophobicContact CD-CB 3.95Å; K162-A177 WeakPolarHBondContact CE-O 3.41Å; K162-A177 HydrophobicContact CG-CB 4.46Å; K162-A177 PolarHBondContact NZ-O 3.35Å
163H74.6Confident65Low136 Ų136109 Ų10963%0.6364%0.639SS**  trans-45.3120.1-178.3175.589.9000110.9T161 H165T161-H163 PolarHBondContact O-N 3.42Å; H163-H165 AromaticContact CD2-CE1 3.39Å; H163-H165 PolarHBondContact CD2-CE1 3.17Å; H163-H165 AromaticContact CD2-ND1 3.64Å; H163-H165 AromaticContact CD2-NE2 3.97Å; H163-H165 AromaticContact NE2-CE1 3.79Å; H163-H165 AromaticContact NE2-ND1 3.67Å
164M81.8Confident66.6Low89 Ų89110.2 Ų110.244%0.43862%0.622SS.*  trans-90.7131.1-177.8-72.7-68.9147.800109.8K162 N166 A175 A177K162-M164 HydrophobicContact CB-CE 4.44Å; K162-M164 WeakPolarHBondContact O-CE 3.45Å; K162-M164 PolarHBondContact O-N 3.39Å; K162-M164 VanDerWaalsContact O-N 3.13Å; M164-N166 PolarHBondContact O-OD1 3.44Å; M164-A175 HydrophobicContact CB-CB 4.29Å; M164-A177 HydrophobicContact CE-CB 3.53Å; M164-A177 HydrophobicContact SD-CB 3.88Å; M164-A177 PolarHBondContact SD-N 2.98Å
165H83.6Confident68.3Low47 Ų47103.9 Ų103.922%0.21860%0.601CS.*EExtended strand (participates in β ladder)trans-93.2104.4175.7-56.4-75000109H163 Y176 K178 T179 L182H163-H165 AromaticContact CD2-CE1 3.39Å; H163-H165 PolarHBondContact CD2-CE1 3.17Å; H163-H165 AromaticContact CD2-ND1 3.64Å; H163-H165 AromaticContact CD2-NE2 3.97Å; H163-H165 AromaticContact NE2-CE1 3.79Å; H163-H165 AromaticContact NE2-ND1 3.67Å; H165-Y176 WeakPolarHBondContact CB-O 3.4Å; H165-Y176 PolarHBondContact CD2-O 3.07Å; H165-Y176 PolarHBondContact N-O 3.03Å; H165-Y176 PolarHBondContact O-N 3.48Å; H165-K178 VanDerWaalsContact CD2-C 3.41Å; H165-T179 PolarHBondContact CD2-N 2.84Å; H165-T179 WeakPolarHBondContact CE1-CG2 3.48Å; H165-T179 WeakPolarHBondContact NE2-CG2 3.42Å; H165-T179 PolarHBondContact NE2-N 3.2Å; H165-L182 HydrophobicContact CB-CB 3.99Å; H165-L182 HydrophobicContact CB-CD2 3.66Å; H165-L182 HydrophobicContact CB-CG 4.42Å
166N82.3Confident70.3Confident108 Ų108101.2 Ų101.258%0.57858%0.575SS**EExtended strand (participates in β ladder)trans-83.3146.8-176.1-67.419.7000111.5M164 A175 L182M164-N166 PolarHBondContact O-OD1 3.44Å; N166-A175 VanDerWaalsContact OD1-CB 3.24Å; N166-A175 WeakPolarHBondContact OD1-CB 3.41Å; N166-L182 WeakPolarHBondContact O-CD2 3.44Å
167C82.7Confident71.9Confident12 Ų1297.4 Ų97.48%0.08154%0.543CS..  trans-77.3120.4170.8-169.70000109.8I169 C172 K174 L182 H185 H189C167-I169 VanDerWaalsContact C-N 3.28Å; C167-I169 PolarHBondContact O-N 2.95Å; C167-C172 HydrophobicContact CB-CB 4.38Å; C167-K174 WeakPolarHBondContact CB-O 3.42Å; C167-K174 PolarHBondContact N-O 3.09Å; C167-L182 HydrophobicContact CB-CD1 4.03Å; C167-H185 PolarHBondContact SG-NE2 3.47Å; C167-H189 PolarHBondContact SG-NE2 3.4Å
168H80.4Confident73.5Confident186 Ų18696.8 Ų96.886%0.86154%0.535SS*.  trans-78.7-9.1179.7-174.568.4000113.4
169I77.6Confident74.8Confident65 Ų6592.7 Ų92.733%0.33352%0.516SS..SBendtrans-64.9124179.5-57.3-77.1000109.4C167 G171 C172 L186 H189C167-I169 VanDerWaalsContact C-N 3.28Å; C167-I169 PolarHBondContact O-N 2.95Å; I169-G171 PolarHBondContact O-N 3.39Å; I169-C172 HydrophobicContact CB-CB 4.15Å; I169-C172 HydrophobicContact CG2-CB 4.48Å; I169-C172 WeakPolarHBondContact O-CB 3.48Å; I169-C172 PolarHBondContact O-N 2.91Å; I169-C172 VanDerWaalsContact O-N 3.12Å; I169-L186 HydrophobicContact CG1-CD2 4.13Å; I169-H189 HydrophobicContact CD1-CB 4.08Å; I169-H189 HydrophobicContact CG1-CB 4.1Å
170P63.1Low76.1Confident124 Ų12492 Ų9281%0.80551%0.511SS*.THydrogen-bonded Turntrans-58.4138.5-179.923.5-33.6000111.1C172P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.09Å
171G70.2Confident77.2Confident91 Ų9184 Ų8494%0.93848%0.484SS*.THydrogen-bonded Turntrans77.5-4.2-176.600000115.8I169I169-G171 PolarHBondContact O-N 3.39Å
172C77.8Confident78.3Confident19 Ų1979.1 Ų79.113%0.12845%0.453CS..THydrogen-bonded Turntrans-84.9-47-179.5-168.30000114.3C167 I169 P170 K174 H185 H189C167-C172 HydrophobicContact CB-CB 4.38Å; I169-C172 HydrophobicContact CB-CB 4.15Å; I169-C172 HydrophobicContact CG2-CB 4.48Å; I169-C172 WeakPolarHBondContact O-CB 3.48Å; I169-C172 PolarHBondContact O-N 2.91Å; I169-C172 VanDerWaalsContact O-N 3.12Å; P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.09Å; C172-K174 PolarHBondContact O-N 2.68Å; C172-H185 VanDerWaalsContact SG-CE1 3.51Å; C172-H185 PolarHBondContact SG-NE2 3.3Å; C172-H189 WeakPolarHBondContact CB-CE1 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.47Å; C172-H189 PolarHBondContact SG-CE1 3.09Å; C172-H189 PolarHBondContact SG-NE2 2.68Å
173G77.1Confident78.9Confident73 Ų7380.6 Ų80.675%0.75346%0.46SS*.  trans64.41.5175.200000117.4
174K78.4Confident78.9Confident101 Ų10174.8 Ų74.844%0.43944%0.435SS..  trans-80.5137.4-174-67.2174.9-169.7175.70112.4C167 C172 Y176C167-K174 WeakPolarHBondContact CB-O 3.42Å; C167-K174 PolarHBondContact N-O 3.09Å; C172-K174 PolarHBondContact O-N 2.68Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; K174-Y176 WeakPolarHBondContact CD-OH 3.32Å
175A82Confident78.7Confident51 Ų5171.4 Ų71.442%0.42142%0.418SS..EExtended strand (participates in β ladder)trans-121141.4178.600000111.6M164 N166M164-A175 HydrophobicContact CB-CB 4.29Å; N166-A175 VanDerWaalsContact OD1-CB 3.24Å; N166-A175 WeakPolarHBondContact OD1-CB 3.41Å
176Y83.3Confident78.3Confident53 Ų5372.2 Ų72.221%0.20842%0.424CS..EExtended strand (participates in β ladder)trans-130.9128.7-171.8-64.2-85.2000112.9H165 K174 K178 H181 L182 H185H165-Y176 WeakPolarHBondContact CB-O 3.4Å; H165-Y176 PolarHBondContact CD2-O 3.07Å; H165-Y176 PolarHBondContact N-O 3.03Å; H165-Y176 PolarHBondContact O-N 3.48Å; K174-Y176 HydrophobicContact CB-CE2 3.67Å; K174-Y176 WeakPolarHBondContact CD-OH 3.32Å; Y176-K178 PolarHBondContact O-N 3.1Å; Y176-H181 HydrophobicContact CD1-CB 3.78Å; Y176-H181 HydrophobicContact CG-CB 4.2Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 3.86Å; Y176-L182 HydrophobicContact CE2-CD1 4.25Å; Y176-L182 HydrophobicContact CG-CB 4.37Å; Y176-H185 HydrophobicContact CD2-CB 4.48Å; Y176-H185 HydrophobicContact CE1-CB 4.24Å; Y176-H185 HydrophobicContact CE2-CB 3.72Å; Y176-H185 AromaticContact CE2-CD2 3.31Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.3Å; Y176-H185 AromaticContact CE2-CG 3.54Å; Y176-H185 AromaticContact CZ-CD2 3.76Å; Y176-H185 AromaticContact CZ-CG 3.51Å; Y176-H185 PolarHBondContact OH-ND1 2.93Å
177A83.6Confident77.7Confident32 Ų3271.4 Ų71.426%0.26441%0.413SS..SBendtrans-70.33.8179.300000115.3K162 M164K162-A177 HydrophobicContact CD-CB 3.95Å; K162-A177 WeakPolarHBondContact CE-O 3.41Å; K162-A177 HydrophobicContact CG-CB 4.46Å; K162-A177 PolarHBondContact NZ-O 3.35Å; M164-A177 HydrophobicContact CE-CB 3.53Å; M164-A177 HydrophobicContact SD-CB 3.88Å; M164-A177 PolarHBondContact SD-N 2.98Å
178K81.5Confident76.8Confident110 Ų11078.3 Ų78.348%0.47844%0.437SS..SBendtrans-148.3135.6177.7-68.9-172.3178.5-177.20109.6H165 Y176 S180 H181 L182H165-K178 VanDerWaalsContact CD2-C 3.41Å; Y176-K178 PolarHBondContact O-N 3.1Å; K178-S180 PolarHBondContact O-N 2.8Å; K178-H181 HydrophobicContact CB-CB 4.41Å; K178-H181 PolarHBondContact O-N 3.03Å; K178-L182 PolarHBondContact O-N 3.27Å
179T79.8Confident76.2Confident79 Ų7972.7 Ų72.749%0.48541%0.411SS..Hα-helixtrans-52.3-40173.350.60000112.7H165 H181 L182 K183H165-T179 PolarHBondContact CD2-N 2.84Å; H165-T179 WeakPolarHBondContact CE1-CG2 3.48Å; H165-T179 WeakPolarHBondContact NE2-CG2 3.42Å; H165-T179 PolarHBondContact NE2-N 3.2Å; T179-H181 VanDerWaalsContact C-N 3.29Å; T179-H181 PolarHBondContact O-N 3.41Å; T179-L182 PolarHBondContact O-N 3.23Å; T179-K183 WeakPolarHBondContact O-CG 3.43Å; T179-K183 PolarHBondContact O-N 3.2Å
180S78.5Confident75.6Confident65 Ų6573.5 Ų73.546%0.45542%0.423SS..Hα-helixtrans-62.4-34.4178.5580000113.1K178 A184K178-S180 PolarHBondContact O-N 2.8Å; S180-A184 WeakPolarHBondContact O-CB 3.36Å; S180-A184 PolarHBondContact O-N 3.42Å
181H79.9Confident75.5Confident79 Ų7970 Ų7037%0.36641%0.409SS..Hα-helixtrans-75-39.3176.7-66-168.6000111.1Y176 K178 T179 A184 H185Y176-H181 HydrophobicContact CD1-CB 3.78Å; Y176-H181 HydrophobicContact CG-CB 4.2Å; K178-H181 HydrophobicContact CB-CB 4.41Å; K178-H181 PolarHBondContact O-N 3.03Å; T179-H181 VanDerWaalsContact C-N 3.29Å; T179-H181 PolarHBondContact O-N 3.41Å; H181-A184 PolarHBondContact O-N 3.32Å; H181-H185 WeakPolarHBondContact O-CB 3.35Å; H181-H185 PolarHBondContact O-N 2.82Å
182L80.6Confident75Confident26 Ų2670.1 Ų70.114%0.13639%0.388CS..Hα-helixtrans-62-46.8171.7176.962.6000111.1H165 N166 C167 Y176 K178 T179 A184 H185 L186H165-L182 HydrophobicContact CB-CB 3.99Å; H165-L182 HydrophobicContact CB-CD2 3.66Å; H165-L182 HydrophobicContact CB-CG 4.42Å; N166-L182 WeakPolarHBondContact O-CD2 3.44Å; C167-L182 HydrophobicContact CB-CD1 4.03Å; Y176-L182 HydrophobicContact CD2-CB 4.09Å; Y176-L182 HydrophobicContact CD2-CD1 3.86Å; Y176-L182 HydrophobicContact CE2-CD1 4.25Å; Y176-L182 HydrophobicContact CG-CB 4.37Å; K178-L182 PolarHBondContact O-N 3.27Å; T179-L182 PolarHBondContact O-N 3.23Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.85Å; L182-H185 CarbonylContact O-C 3.55Å; L182-H185 WeakPolarHBondContact O-CA 3.4Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 2.78Å; L182-L186 HydrophobicContact CD1-CD1 4.23Å; L182-L186 HydrophobicContact CD1-CD2 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.03Å; L182-L186 HydrophobicContact CD2-CD1 4.49Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.25Å; L182-L186 WeakPolarHBondContact O-CG 3.23Å; L182-L186 PolarHBondContact O-N 3.19Å
183K78Confident74.4Confident146 Ų14675 Ų7564%0.63540%0.404SS*.Hα-helixtrans-58.9-42.7176.7-73.8-175.8177.4-172.10112.1T179 H185 L186 R187T179-K183 WeakPolarHBondContact O-CG 3.43Å; T179-K183 PolarHBondContact O-N 3.2Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.13Å; K183-L186 PolarHBondContact O-N 3.44Å; K183-R187 PolarHBondContact O-N 3.07Å
184A74.6Confident74Confident14 Ų1475 Ų7512%0.11639%0.391CS..Hα-helixtrans-67.1-29.3174.800000113.2S180 H181 L182 R208S180-A184 WeakPolarHBondContact O-CB 3.36Å; S180-A184 PolarHBondContact O-N 3.42Å; H181-A184 PolarHBondContact O-N 3.32Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 2.85Å; A184-R208 HydrophobicContact CB-CG 3.91Å
185H78.1Confident73.6Confident18 Ų1873 Ų738%0.08338%0.382CS..Hα-helixtrans-74.7-41.3173.3168.452.8000112.7C167 C172 Y176 H181 L182 K183 R187 W188 H189C167-H185 PolarHBondContact SG-NE2 3.47Å; C172-H185 VanDerWaalsContact SG-CE1 3.51Å; C172-H185 PolarHBondContact SG-NE2 3.3Å; Y176-H185 HydrophobicContact CD2-CB 4.48Å; Y176-H185 HydrophobicContact CE1-CB 4.24Å; Y176-H185 HydrophobicContact CE2-CB 3.72Å; Y176-H185 AromaticContact CE2-CD2 3.31Å; Y176-H185 WeakPolarHBondContact CE2-CD2 3.3Å; Y176-H185 AromaticContact CE2-CG 3.54Å; Y176-H185 AromaticContact CZ-CD2 3.76Å; Y176-H185 AromaticContact CZ-CG 3.51Å; Y176-H185 PolarHBondContact OH-ND1 2.93Å; H181-H185 WeakPolarHBondContact O-CB 3.35Å; H181-H185 PolarHBondContact O-N 2.82Å; L182-H185 CarbonylContact O-C 3.55Å; L182-H185 WeakPolarHBondContact O-CA 3.4Å; L182-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 PolarHBondContact O-N 2.78Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.13Å; H185-R187 PolarHBondContact O-N 3.14Å; H185-W188 WeakPolarHBondContact O-CB 3.42Å; H185-W188 PolarHBondContact O-N 3.39Å; H185-H189 AromaticContact CD2-NE2 3.59Å; H185-H189 AromaticContact CE1-CD2 3.62Å; H185-H189 AromaticContact CE1-NE2 2.64Å; H185-H189 PolarHBondContact CE1-NE2 2.68Å; H185-H189 AromaticContact ND1-NE2 3.85Å; H185-H189 AromaticContact NE2-CD2 3.6Å; H185-H189 AromaticContact NE2-NE2 2.38Å; H185-H189 PolarHBondContact NE2-NE2 3.41Å
186L74.3Confident72.9Confident65 Ų6573.7 Ų73.734%0.3438%0.381SS..Hα-helixtrans-61.2-30.7178.4-70.7170.1000112.3I169 L182 K183 W188 H189 S190I169-L186 HydrophobicContact CG1-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD1 4.23Å; L182-L186 HydrophobicContact CD1-CD2 4.42Å; L182-L186 HydrophobicContact CD1-CG 4.03Å; L182-L186 HydrophobicContact CD2-CD1 4.49Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.25Å; L182-L186 WeakPolarHBondContact O-CG 3.23Å; L182-L186 PolarHBondContact O-N 3.19Å; K183-L186 PolarHBondContact O-N 3.44Å; L186-W188 PolarHBondContact O-N 2.75Å; L186-H189 PolarHBondContact O-N 2.7Å; L186-S190 PolarHBondContact O-N 3.18Å
187R70.6Confident72.6Confident90 Ų9071.3 Ų71.334%0.3437%0.372SS..Hα-helixtrans-56.9-25.9168.7-75.8178.4-173.4161.10.5114.6K183 H185 G191 D192 T207K183-R187 PolarHBondContact O-N 3.07Å; H185-R187 PolarHBondContact O-N 3.14Å; R187-G191 CarbonylContact O-C 3.51Å; R187-G191 PolarHBondContact O-N 3.35Å; R187-D192 HydrophobicContact CB-CB 4.48Å; R187-D192 WeakPolarHBondContact CB-O 3.27Å; R187-D192 HydrophobicContact CG-CB 4.22Å; R187-D192 PolarHBondContact O-N 2.82Å; R187-T207 HydrophobicContact CB-CG2 3.92Å; R187-T207 WeakPolarHBondContact CD-O 3.05Å; R187-T207 PolarHBondContact NH1-O 3.21Å
188W63Low71.9Confident158 Ų15877.3 Ų77.360%0.59840%0.4SS*.Hα-helixtrans-72.2-34.4173.5-177.582.6000112H185 L186H185-W188 WeakPolarHBondContact O-CB 3.42Å; H185-W188 PolarHBondContact O-N 3.39Å; L186-W188 PolarHBondContact O-N 2.75Å
189H69.4Low71.2Confident68 Ų6876.9 Ų76.932%0.31540%0.395SS..Hα-helixtrans-77.9-38.7175.6-66.8-74.6000112.6C167 I169 C172 H185 L186 G191C167-H189 PolarHBondContact SG-NE2 3.4Å; I169-H189 HydrophobicContact CD1-CB 4.08Å; I169-H189 HydrophobicContact CG1-CB 4.1Å; C172-H189 WeakPolarHBondContact CB-CE1 3.5Å; C172-H189 WeakPolarHBondContact CB-NE2 3.47Å; C172-H189 PolarHBondContact SG-CE1 3.09Å; C172-H189 PolarHBondContact SG-NE2 2.68Å; H185-H189 AromaticContact CD2-NE2 3.59Å; H185-H189 AromaticContact CE1-CD2 3.62Å; H185-H189 AromaticContact CE1-NE2 2.64Å; H185-H189 PolarHBondContact CE1-NE2 2.68Å; H185-H189 AromaticContact ND1-NE2 3.85Å; H185-H189 AromaticContact NE2-CD2 3.6Å; H185-H189 AromaticContact NE2-NE2 2.38Å; H185-H189 PolarHBondContact NE2-NE2 3.41Å; L186-H189 PolarHBondContact O-N 2.7Å; H189-G191 PolarHBondContact O-N 3.44Å
190S64.6Low70.2Confident82 Ų8281.5 Ų81.557%0.57342%0.416SS*.Hα-helixtrans-73.3-14.8177.3-156.20000113.3L186 D192L186-S190 PolarHBondContact O-N 3.18Å; S190-D192 WeakPolarHBondContact CB-OD2 3.43Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact O-N 3.15Å; S190-D192 PolarHBondContact OG-OD2 3.27Å
191G60.5Low69.4Low51 Ų5185.1 Ų85.153%0.52642%0.424SS..  trans73.8-9.2-169.900000114.5R187 H189 R193R187-G191 CarbonylContact O-C 3.51Å; R187-G191 PolarHBondContact O-N 3.35Å; H189-G191 PolarHBondContact O-N 3.44Å; G191-R193 PolarHBondContact O-N 3.01Å
192D59.8Low69.1Low92 Ų9282.4 Ų82.449%0.49241%0.414SS..  trans-57.595.3178.3-76.2-53.7000112.9R187 S190 P194R187-D192 HydrophobicContact CB-CB 4.48Å; R187-D192 WeakPolarHBondContact CB-O 3.27Å; R187-D192 HydrophobicContact CG-CB 4.22Å; R187-D192 PolarHBondContact O-N 2.82Å; S190-D192 WeakPolarHBondContact CB-OD2 3.43Å; S190-D192 PolarHBondContact O-N 2.89Å; S190-D192 VanDerWaalsContact O-N 3.15Å; S190-D192 PolarHBondContact OG-OD2 3.27Å; D192-P194 VanDerWaalsContact C-CD 3.41Å; D192-P194 WeakPolarHBondContact O-CD 3.39Å
193R65.8Low68.2Low122 Ų12283.6 Ų83.646%0.4643%0.432SS..  trans-109.581.6172.2-66.7168.1163.9-170.9-5.8109.2G191 F195 R205 F206 T207G191-R193 PolarHBondContact O-N 3.01Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.3Å; R193-R205 HydrophobicContact CB-CB 3.48Å; R193-R205 VanDerWaalsContact CB-CB 3.48Å; R193-R205 WeakPolarHBondContact CD-O 3.16Å; R193-R205 HydrophobicContact CG-CB 4.3Å; R193-R205 PolarHBondContact O-NE 3.43Å; R193-R205 PolarHBondContact O-NH2 2.97Å; R193-F206 CarbonylContact C-O 3.56Å; R193-F206 WeakPolarHBondContact CA-O 3.49Å; R193-T207 HydrophobicContact CG-CG2 4.09Å
194P66.9Low67.8Low73 Ų7381.3 Ų81.347%0.47442%0.422SS..  trans-73.7-18.4-175.929.3-35.8000113.2D192D192-P194 VanDerWaalsContact C-CD 3.41Å; D192-P194 WeakPolarHBondContact O-CD 3.39Å
195F70.7Confident67.7Low59 Ų5986.9 Ų86.926%0.25944%0.44SS..EExtended strand (participates in β ladder)trans-94.7101.5-179.5-57.8-75.1000109.8R193 R205 F206 T207 R208 L212R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.3Å; F195-R205 CarbonylContact O-C 3.57Å; F195-R205 WeakPolarHBondContact O-CA 3.43Å; F195-F206 HydrophobicContact CB-CB 4.22Å; F195-F206 PolarHBondContact N-O 3.29Å; F195-F206 PolarHBondContact O-N 3.16Å; F195-T207 WeakPolarHBondContact CE2-O 3.37Å; F195-R208 VanDerWaalsContact CD2-CA 3.49Å; F195-L212 HydrophobicContact CB-CB 4.04Å; F195-L212 HydrophobicContact CB-CD2 3.88Å
196V67.3Low67.7Low65 Ų6587.3 Ų87.339%0.39444%0.442SS..EExtended strand (participates in β ladder)trans-98.7139.1-178.7-173.30000110N198 R205 L212V196-N198 PolarHBondContact O-N 3.13Å; V196-R205 HydrophobicContact CB-CG 4.48Å; V196-R205 HydrophobicContact CG1-CG 4.16Å; V196-R205 HydrophobicContact CG2-CG 4Å; V196-L212 WeakPolarHBondContact O-CD2 3.42Å
197C76.9Confident67.5Low3 Ų385.2 Ų85.22%0.0243%0.431CS..  trans-71.1109.3165.7-171.70000108.8W199 C202 K204 F206 L212 H215 H219C197-W199 PolarHBondContact O-N 2.54Å; C197-W199 WeakPolarHBondContact SG-CB 3.44Å; C197-C202 HydrophobicContact CB-CB 4.45Å; C197-K204 HydrophobicContact CB-CB 4.38Å; C197-K204 WeakPolarHBondContact CB-O 3.42Å; C197-K204 PolarHBondContact N-O 3.23Å; C197-F206 HydrophobicContact CB-CE2 4.43Å; C197-L212 HydrophobicContact CB-CD1 4.05Å; C197-H215 PolarHBondContact SG-NE2 3.04Å; C197-H219 PolarHBondContact SG-NE2 2.82Å
198N68.6Low67.6Low159 Ų15985.6 Ų85.685%0.8543%0.433SS*.  trans-71.77.5179-154.140.4000113.6V196 L200V196-N198 PolarHBondContact O-N 3.13Å; N198-L200 PolarHBondContact O-N 3.29Å
199W67.2Low68.1Low100 Ų10081.2 Ų81.238%0.37943%0.427SS..  trans-78.1116.3174.8-169.1-71000109.1C197 F201 C202 H219C197-W199 PolarHBondContact O-N 2.54Å; C197-W199 WeakPolarHBondContact SG-CB 3.44Å; W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 AromaticContact CD1-CD1 3.94Å; W199-F201 AromaticContact CD1-CD2 3.72Å; W199-F201 AromaticContact CD1-CE2 3.83Å; W199-F201 AromaticContact CD1-CG 3.81Å; W199-F201 AromaticContact CE2-CE1 3.87Å; W199-F201 AromaticContact CE2-CZ 3.64Å; W199-F201 HydrophobicContact CZ2-CE1 4.1Å; W199-F201 HydrophobicContact CZ2-CE2 4.5Å; W199-F201 AromaticContact CZ2-CZ 3.78Å; W199-F201 HydrophobicContact CZ2-CZ 3.78Å; W199-F201 AromaticContact NE1-CD1 3.37Å; W199-F201 AromaticContact NE1-CD2 3.43Å; W199-F201 AromaticContact NE1-CE1 3.05Å; W199-F201 AromaticContact NE1-CE2 3.1Å; W199-F201 AromaticContact NE1-CG 3.58Å; W199-F201 AromaticContact NE1-CZ 2.94Å; W199-F201 PolarHBondContact O-N 3.31Å; W199-F201 VanDerWaalsContact O-N 3.16Å; W199-C202 HydrophobicContact CB-CB 3.88Å; W199-C202 HydrophobicContact CG-CB 4.24Å; W199-C202 WeakPolarHBondContact O-CB 3.29Å; W199-C202 PolarHBondContact O-N 2.83Å; W199-H219 AromaticContact CD1-CE1 3.63Å; W199-H219 HydrophobicContact CD2-CB 4.2Å; W199-H219 AromaticContact CD2-CG 3.81Å; W199-H219 AromaticContact CD2-ND1 3.67Å; W199-H219 AromaticContact CE2-ND1 3.88Å; W199-H219 HydrophobicContact CE3-CB 3.66Å; W199-H219 AromaticContact CE3-CG 3.72Å; W199-H219 AromaticContact CG-CE1 3.81Å; W199-H219 AromaticContact CG-ND1 3.88Å; W199-H219 HydrophobicContact CH2-CB 4.24Å; W199-H219 HydrophobicContact CZ3-CB 3.68Å
200L58.6Low68.3Low177 Ų17782 Ų8293%0.92743%0.433SS*.THydrogen-bonded Turntrans-54.6-41.1-162.4-168.865.4000114.3N198N198-L200 PolarHBondContact O-N 3.29Å
201F61.3Low68.9Low141 Ų14180.9 Ų80.962%0.61842%0.419SS*.THydrogen-bonded Turntrans-90.89.3177.658.8-107.5000115W199 P268W199-F201 VanDerWaalsContact C-N 3.33Å; W199-F201 AromaticContact CD1-CD1 3.94Å; W199-F201 AromaticContact CD1-CD2 3.72Å; W199-F201 AromaticContact CD1-CE2 3.83Å; W199-F201 AromaticContact CD1-CG 3.81Å; W199-F201 AromaticContact CE2-CE1 3.87Å; W199-F201 AromaticContact CE2-CZ 3.64Å; W199-F201 HydrophobicContact CZ2-CE1 4.1Å; W199-F201 HydrophobicContact CZ2-CE2 4.5Å; W199-F201 AromaticContact CZ2-CZ 3.78Å; W199-F201 HydrophobicContact CZ2-CZ 3.78Å; W199-F201 AromaticContact NE1-CD1 3.37Å; W199-F201 AromaticContact NE1-CD2 3.43Å; W199-F201 AromaticContact NE1-CE1 3.05Å; W199-F201 AromaticContact NE1-CE2 3.1Å; W199-F201 AromaticContact NE1-CG 3.58Å; W199-F201 AromaticContact NE1-CZ 2.94Å; W199-F201 PolarHBondContact O-N 3.31Å; W199-F201 VanDerWaalsContact O-N 3.16Å; F201-P268 HydrophobicContact CD2-CG 4.36Å
202C75.1Confident69.8Low22 Ų2279.5 Ų79.515%0.14940%0.399CS..THydrogen-bonded Turntrans-103.4-48.6-178-157.70000113.7C197 W199 K204 H215 H219C197-C202 HydrophobicContact CB-CB 4.45Å; W199-C202 HydrophobicContact CB-CB 3.88Å; W199-C202 HydrophobicContact CG-CB 4.24Å; W199-C202 WeakPolarHBondContact O-CB 3.29Å; W199-C202 PolarHBondContact O-N 2.83Å; C202-K204 PolarHBondContact O-N 2.83Å; C202-H215 VanDerWaalsContact SG-CE1 3.53Å; C202-H215 PolarHBondContact SG-NE2 2.83Å; C202-H219 WeakPolarHBondContact CB-CE1 3.28Å; C202-H219 WeakPolarHBondContact CB-NE2 3.36Å; C202-H219 PolarHBondContact SG-CE1 2.93Å; C202-H219 PolarHBondContact SG-NE2 2.79Å
203G60.8Low70.6Confident50 Ų5079.2 Ų79.252%0.51540%0.395SS..  trans59.22.7176.700000117R205G203-R205 WeakPolarHBondContact O-CG 3.27Å; G203-R205 PolarHBondContact O-N 2.64Å
204K69.7Low71.1Confident98 Ų9878.2 Ų78.243%0.42639%0.391SS..  trans-67.9132.2-173.7-69.8176.9-169.8169.30110.9C197 C202 F206C197-K204 HydrophobicContact CB-CB 4.38Å; C197-K204 WeakPolarHBondContact CB-O 3.42Å; C197-K204 PolarHBondContact N-O 3.23Å; C202-K204 PolarHBondContact O-N 2.83Å; K204-F206 HydrophobicContact CB-CE2 3.69Å; K204-F206 HydrophobicContact CB-CZ 3.68Å; K204-F206 WeakPolarHBondContact O-CE2 3.35Å
205R73.1Confident71.8Confident132 Ų13275.2 Ų75.250%0.49837%0.371SS..EExtended strand (participates in β ladder)trans-116.4137.6-179-49.1-177.860.1163.50.9110.9R193 F195 V196 G203R193-R205 HydrophobicContact CB-CB 3.48Å; R193-R205 VanDerWaalsContact CB-CB 3.48Å; R193-R205 WeakPolarHBondContact CD-O 3.16Å; R193-R205 HydrophobicContact CG-CB 4.3Å; R193-R205 PolarHBondContact O-NE 3.43Å; R193-R205 PolarHBondContact O-NH2 2.97Å; F195-R205 CarbonylContact O-C 3.57Å; F195-R205 WeakPolarHBondContact O-CA 3.43Å; V196-R205 HydrophobicContact CB-CG 4.48Å; V196-R205 HydrophobicContact CG1-CG 4.16Å; V196-R205 HydrophobicContact CG2-CG 4Å; G203-R205 WeakPolarHBondContact O-CG 3.27Å; G203-R205 PolarHBondContact O-N 2.64Å
206F76.5Confident72.1Confident27 Ų2774.8 Ų74.812%0.11837%0.371CS..EExtended strand (participates in β ladder)trans-124.7155.5-172.5-56.2-84.4000111.4R193 F195 C197 K204 E211 L212 H215R193-F206 CarbonylContact C-O 3.56Å; R193-F206 WeakPolarHBondContact CA-O 3.49Å; F195-F206 HydrophobicContact CB-CB 4.22Å; F195-F206 PolarHBondContact N-O 3.29Å; F195-F206 PolarHBondContact O-N 3.16Å; C197-F206 HydrophobicContact CB-CE2 4.43Å; K204-F206 HydrophobicContact CB-CE2 3.69Å; K204-F206 HydrophobicContact CB-CZ 3.68Å; K204-F206 WeakPolarHBondContact O-CE2 3.35Å; F206-E211 HydrophobicContact CB-CB 4.23Å; F206-E211 HydrophobicContact CB-CG 4.47Å; F206-E211 HydrophobicContact CD1-CB 4.18Å; F206-E211 HydrophobicContact CD1-CG 3.58Å; F206-E211 HydrophobicContact CE1-CG 4.23Å; F206-E211 HydrophobicContact CG-CB 4.43Å; F206-E211 HydrophobicContact CG-CG 4.3Å; F206-L212 HydrophobicContact CB-CB 4.47Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.08Å; F206-L212 HydrophobicContact CG-CB 4.4Å; F206-H215 HydrophobicContact CE1-CB 4.17Å; F206-H215 HydrophobicContact CE2-CB 4.01Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.83Å; F206-H215 HydrophobicContact CZ-CB 3.58Å; F206-H215 AromaticContact CZ-CD2 3.29Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.45Å; F206-H215 AromaticContact CZ-CG 3.43Å; F206-H215 VanDerWaalsContact CZ-CG 3.43Å
207T71.4Confident72.4Confident21 Ų2174.9 Ų74.913%0.12937%0.367CS..SBendtrans-88.9-11.8179.160.70000112.9R187 R193 F195R187-T207 HydrophobicContact CB-CG2 3.92Å; R187-T207 WeakPolarHBondContact CD-O 3.05Å; R187-T207 PolarHBondContact NH1-O 3.21Å; R193-T207 HydrophobicContact CG-CG2 4.09Å; F195-T207 WeakPolarHBondContact CE2-O 3.37Å
208R72.8Confident72.3Confident97 Ų9776.2 Ų76.237%0.36638%0.375SS..SBendtrans-137.4149.2-176.8-61.516852.3154-4112.5A184 F195 D210 E211 L212A184-R208 HydrophobicContact CB-CG 3.91Å; F195-R208 VanDerWaalsContact CD2-CA 3.49Å; R208-D210 VanDerWaalsContact CB-OD1 3.23Å; R208-D210 WeakPolarHBondContact CB-OD1 3.03Å; R208-D210 IonicContact CZ-OD1 2.82Å; R208-D210 IonicContact CZ-OD2 3.51Å; R208-D210 IonicContact NE-OD1 3.57Å; R208-D210 PolarHBondContact NE-OD1 2.73Å; R208-D210 IonicContact NE-OD2 3.42Å; R208-D210 VanDerWaalsContact NH2-CG 3.28Å; R208-D210 IonicContact NH2-OD1 3.63Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.73Å; R208-D210 PolarHBondContact NH2-OD2 3.38Å; R208-E211 HydrophobicContact CB-CB 4.2Å; R208-E211 PolarHBondContact O-N 3.42Å; R208-L212 PolarHBondContact O-N 3.37Å
209S72.3Confident72.5Confident67 Ų6771.1 Ų71.147%0.46935%0.346SS..Hα-helixtrans-70.2-38.9179.249.20000113.5E211 L212 Q213S209-E211 PolarHBondContact O-N 3.37Å; S209-L212 PolarHBondContact O-N 2.81Å; S209-Q213 WeakPolarHBondContact O-CG 3.48Å; S209-Q213 PolarHBondContact O-N 2.93Å
210D75.2Confident72.7Confident83 Ų8371.2 Ų71.244%0.44436%0.358SS..Hα-helixtrans-65.6-28.5176.765.2-62.1000112.3R208 R214R208-D210 VanDerWaalsContact CB-OD1 3.23Å; R208-D210 WeakPolarHBondContact CB-OD1 3.03Å; R208-D210 IonicContact CZ-OD1 2.82Å; R208-D210 IonicContact CZ-OD2 3.51Å; R208-D210 IonicContact NE-OD1 3.57Å; R208-D210 PolarHBondContact NE-OD1 2.73Å; R208-D210 IonicContact NE-OD2 3.42Å; R208-D210 VanDerWaalsContact NH2-CG 3.28Å; R208-D210 IonicContact NH2-OD1 3.63Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.73Å; R208-D210 PolarHBondContact NH2-OD2 3.38Å; D210-R214 VanDerWaalsContact O-CB 3.27Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 PolarHBondContact O-N 2.77Å
211E76.8Confident73Confident60 Ų6065.3 Ų65.328%0.2834%0.34SS..Hα-helixtrans-71.8-43.5174.4-160.2178.7-162.900112F206 R208 S209 R214 H215F206-E211 HydrophobicContact CB-CB 4.23Å; F206-E211 HydrophobicContact CB-CG 4.47Å; F206-E211 HydrophobicContact CD1-CB 4.18Å; F206-E211 HydrophobicContact CD1-CG 3.58Å; F206-E211 HydrophobicContact CE1-CG 4.23Å; F206-E211 HydrophobicContact CG-CB 4.43Å; F206-E211 HydrophobicContact CG-CG 4.3Å; R208-E211 HydrophobicContact CB-CB 4.2Å; R208-E211 PolarHBondContact O-N 3.42Å; S209-E211 PolarHBondContact O-N 3.37Å; E211-R214 IonicContact OE1-NH2 2.68Å; E211-H215 WeakPolarHBondContact O-CB 3.5Å; E211-H215 PolarHBondContact O-N 3.45Å
212L78.3Confident72.9Confident22 Ų2260 Ų6012%0.11532%0.322CS..Hα-helixtrans-61.9-47.2172171.760.4000111.4F195 V196 C197 F206 R208 S209 R214 H215 L216F195-L212 HydrophobicContact CB-CB 4.04Å; F195-L212 HydrophobicContact CB-CD2 3.88Å; V196-L212 WeakPolarHBondContact O-CD2 3.42Å; C197-L212 HydrophobicContact CB-CD1 4.05Å; F206-L212 HydrophobicContact CB-CB 4.47Å; F206-L212 HydrophobicContact CD2-CB 3.98Å; F206-L212 HydrophobicContact CD2-CD1 3.94Å; F206-L212 HydrophobicContact CE2-CD1 4.08Å; F206-L212 HydrophobicContact CG-CB 4.4Å; R208-L212 PolarHBondContact O-N 3.37Å; S209-L212 PolarHBondContact O-N 2.81Å; L212-R214 PolarHBondContact O-N 3.16Å; L212-H215 CarbonylContact O-C 3.49Å; L212-H215 WeakPolarHBondContact O-CA 3.43Å; L212-H215 WeakPolarHBondContact O-CB 3.36Å; L212-H215 PolarHBondContact O-N 3.47Å; L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 4.26Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.27Å
213Q77.8Confident72.3Confident85 Ų8565.4 Ų65.440%0.39734%0.343SS..Hα-helixtrans-60.5-43.1179-76.5-67.9-4300112.3S209 H215 L216 Q217S209-Q213 WeakPolarHBondContact O-CG 3.48Å; S209-Q213 PolarHBondContact O-N 2.93Å; Q213-H215 VanDerWaalsContact C-N 3.28Å; Q213-H215 PolarHBondContact O-N 3.02Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-Q217 PolarHBondContact O-N 3.28Å
214R75.4Confident72.5Confident101 Ų10170.2 Ų70.238%0.38135%0.35SS..Hα-helixtrans-61.9-34.7171.5178.4-179.864.387.7-4.3112.5D210 E211 L212D210-R214 VanDerWaalsContact O-CB 3.27Å; D210-R214 WeakPolarHBondContact O-CB 3.38Å; D210-R214 PolarHBondContact O-N 2.77Å; E211-R214 IonicContact OE1-NH2 2.68Å; L212-R214 PolarHBondContact O-N 3.16Å
215H81.6Confident72.7Confident10 Ų1068.9 Ų68.95%0.04634%0.344CS..Hα-helixtrans-72.6-37.9174.9169.943.4000112.4C197 C202 F206 E211 L212 Q213 Q217 T218 H219C197-H215 PolarHBondContact SG-NE2 3.04Å; C202-H215 VanDerWaalsContact SG-CE1 3.53Å; C202-H215 PolarHBondContact SG-NE2 2.83Å; F206-H215 HydrophobicContact CE1-CB 4.17Å; F206-H215 HydrophobicContact CE2-CB 4.01Å; F206-H215 AromaticContact CE2-CD2 3.27Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.45Å; F206-H215 AromaticContact CE2-CG 3.83Å; F206-H215 HydrophobicContact CZ-CB 3.58Å; F206-H215 AromaticContact CZ-CD2 3.29Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.45Å; F206-H215 AromaticContact CZ-CG 3.43Å; F206-H215 VanDerWaalsContact CZ-CG 3.43Å; E211-H215 WeakPolarHBondContact O-CB 3.5Å; E211-H215 PolarHBondContact O-N 3.45Å; L212-H215 CarbonylContact O-C 3.49Å; L212-H215 WeakPolarHBondContact O-CA 3.43Å; L212-H215 WeakPolarHBondContact O-CB 3.36Å; L212-H215 PolarHBondContact O-N 3.47Å; Q213-H215 VanDerWaalsContact C-N 3.28Å; Q213-H215 PolarHBondContact O-N 3.02Å; H215-Q217 PolarHBondContact O-N 3.01Å; H215-T218 PolarHBondContact ND1-OG1 2.99Å; H215-T218 VanDerWaalsContact ND1-OG1 3.13Å; H215-T218 WeakPolarHBondContact O-CB 3.36Å; H215-T218 PolarHBondContact O-N 3.49Å; H215-T218 PolarHBondContact O-OG1 2.79Å; H215-H219 AromaticContact CD2-NE2 3.62Å; H215-H219 AromaticContact CE1-CD2 3.81Å; H215-H219 AromaticContact CE1-NE2 2.83Å; H215-H219 PolarHBondContact CE1-NE2 2.85Å; H215-H219 AromaticContact ND1-NE2 3.95Å; H215-H219 AromaticContact NE2-CD2 3.95Å; H215-H219 AromaticContact NE2-NE2 2.54Å; H215-H219 PolarHBondContact NE2-NE2 3.01Å
216L76.6Confident73Confident50 Ų5066.4 Ų66.426%0.26235%0.347SS..Hα-helixtrans-60.2-30.9176.2-67.9172.4000112.1L212 Q213 T218 H219 T220L212-L216 HydrophobicContact CD1-CD1 4.32Å; L212-L216 HydrophobicContact CD1-CD2 4.36Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 4.26Å; L212-L216 HydrophobicContact CG-CG 4.45Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 3.27Å; Q213-L216 PolarHBondContact O-N 2.86Å; L216-T218 PolarHBondContact O-N 3.13Å; L216-H219 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-N 3.37Å
217Q74.3Confident73.4Confident68 Ų6865.7 Ų65.732%0.31835%0.345SS..Hα-helixtrans-61.5-23.4171.3-65.4170.71.100113.7Q213 H215 H219 T220 G221 A222 M235Q213-Q217 PolarHBondContact O-N 3.28Å; H215-Q217 PolarHBondContact O-N 3.01Å; Q217-H219 VanDerWaalsContact C-N 3.32Å; Q217-T220 PolarHBondContact O-OG1 2.88Å; Q217-G221 PolarHBondContact O-N 3.32Å; Q217-G221 VanDerWaalsContact O-N 3.15Å; Q217-A222 PolarHBondContact O-N 3.21Å; Q217-M235 HydrophobicContact CB-CE 4.09Å; Q217-M235 WeakPolarHBondContact O-CE 3.47Å
218T73.9Confident73.9Confident31 Ų3169.4 Ų69.419%0.1938%0.378CS..Hα-helixtrans-74.7-23.6175.374.10000112.5H215 L216 M235 F265H215-T218 PolarHBondContact ND1-OG1 2.99Å; H215-T218 VanDerWaalsContact ND1-OG1 3.13Å; H215-T218 WeakPolarHBondContact O-CB 3.36Å; H215-T218 PolarHBondContact O-N 3.49Å; H215-T218 PolarHBondContact O-OG1 2.79Å; L216-T218 PolarHBondContact O-N 3.13Å; T218-M235 HydrophobicContact CG2-CE 4.24Å; T218-F265 HydrophobicContact CG2-CD2 4.4Å; T218-F265 HydrophobicContact CG2-CE1 4.25Å; T218-F265 HydrophobicContact CG2-CE2 3.56Å; T218-F265 HydrophobicContact CG2-CZ 3.46Å; T218-F265 VanDerWaalsContact CG2-CZ 3.46Å
219H74.5Confident74.5Confident52 Ų5270.1 Ų70.124%0.24139%0.388CS..Hα-helixtrans-81.2-36.7173.8-67.8-65.8000112C197 W199 C202 H215 L216 Q217 G221C197-H219 PolarHBondContact SG-NE2 2.82Å; W199-H219 AromaticContact CD1-CE1 3.63Å; W199-H219 HydrophobicContact CD2-CB 4.2Å; W199-H219 AromaticContact CD2-CG 3.81Å; W199-H219 AromaticContact CD2-ND1 3.67Å; W199-H219 AromaticContact CE2-ND1 3.88Å; W199-H219 HydrophobicContact CE3-CB 3.66Å; W199-H219 AromaticContact CE3-CG 3.72Å; W199-H219 AromaticContact CG-CE1 3.81Å; W199-H219 AromaticContact CG-ND1 3.88Å; W199-H219 HydrophobicContact CH2-CB 4.24Å; W199-H219 HydrophobicContact CZ3-CB 3.68Å; C202-H219 WeakPolarHBondContact CB-CE1 3.28Å; C202-H219 WeakPolarHBondContact CB-NE2 3.36Å; C202-H219 PolarHBondContact SG-CE1 2.93Å; C202-H219 PolarHBondContact SG-NE2 2.79Å; H215-H219 AromaticContact CD2-NE2 3.62Å; H215-H219 AromaticContact CE1-CD2 3.81Å; H215-H219 AromaticContact CE1-NE2 2.83Å; H215-H219 PolarHBondContact CE1-NE2 2.85Å; H215-H219 AromaticContact ND1-NE2 3.95Å; H215-H219 AromaticContact NE2-CD2 3.95Å; H215-H219 AromaticContact NE2-NE2 2.54Å; H215-H219 PolarHBondContact NE2-NE2 3.01Å; L216-H219 PolarHBondContact O-N 3.08Å; Q217-H219 VanDerWaalsContact C-N 3.32Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact O-N 3.47Å
220T70.7Confident75.1Confident101 Ų10168.5 Ų68.562%0.6238%0.377SS*.THydrogen-bonded Turntrans-84.3-1.1177.7580000114.2L216 Q217 A222L216-T220 PolarHBondContact O-N 3.37Å; Q217-T220 PolarHBondContact O-OG1 2.88Å; T220-A222 PolarHBondContact O-N 2.86Å; T220-A222 VanDerWaalsContact O-N 3.12Å
221G64.3Low75.3Confident54 Ų5470.9 Ų70.956%0.55740%0.396SS*.THydrogen-bonded Turntrans64.214.6179.500000115Q217 H219 K223Q217-G221 PolarHBondContact O-N 3.32Å; Q217-G221 VanDerWaalsContact O-N 3.15Å; H219-G221 VanDerWaalsContact C-N 3.31Å; H219-G221 PolarHBondContact O-N 3.47Å; G221-K223 VanDerWaalsContact C-N 3.34Å; G221-K223 PolarHBondContact O-N 3.27Å
222A58.9Low75.3Confident29 Ų2975 Ų7524%0.2441%0.41CS..  trans-73.476-166.300000113.9Q217 T220Q217-A222 PolarHBondContact O-N 3.21Å; T220-A222 PolarHBondContact O-N 2.86Å; T220-A222 VanDerWaalsContact O-N 3.12Å
223K62.5Low75.3Confident135 Ų13576.9 Ų76.959%0.58742%0.422SS*.  trans-69.1130.7167.3-91.6174.5171.5174.20110.6G221 V233 M235G221-K223 VanDerWaalsContact C-N 3.34Å; G221-K223 PolarHBondContact O-N 3.27Å; K223-V233 HydrophobicContact CB-CG1 3.78Å; K223-V233 HydrophobicContact CD-CB 4.11Å; K223-V233 HydrophobicContact CD-CG1 4.01Å; K223-V233 WeakPolarHBondContact CE-O 3.41Å; K223-V233 HydrophobicContact CG-CG1 4.07Å; K223-M235 HydrophobicContact CB-SD 4.36Å; K223-M235 HydrophobicContact CG-CG 4.37Å; K223-M235 HydrophobicContact CG-SD 3.66Å
224K66.6Low75.4Confident151 Ų15174.7 Ų74.766%0.65741%0.411SS*.  trans-131.6-12.8-175-64.5-167.5178.9-168.90116.3
225F72.4Confident75.4Confident71 Ų7172.5 Ų72.531%0.31141%0.406SS..EExtended strand (participates in β ladder)trans-123.291.4-170.9-58-77.1000111.4F234 N237 L240F225-F234 HydrophobicContact CB-CB 4.34Å; F225-F234 PolarHBondContact N-O 3.18Å; F225-F234 PolarHBondContact O-N 3.46Å; F225-N237 HydrophobicContact CD1-CB 4.03Å; F225-N237 HydrophobicContact CE1-CB 3.85Å; F225-N237 HydrophobicContact CE2-CB 4.44Å; F225-N237 HydrophobicContact CG-CB 4.4Å; F225-N237 HydrophobicContact CZ-CB 4.07Å; F225-L240 HydrophobicContact CB-CB 4.34Å; F225-L240 HydrophobicContact CB-CD2 3.97Å
226S80.4Confident75Confident80 Ų8075.5 Ų75.556%0.55942%0.416SS*.EExtended strand (participates in β ladder)trans-76149.1172.344.90000112L240S226-L240 WeakPolarHBondContact O-CD2 3.44Å
227C84.3Confident75.2Confident11 Ų1177.7 Ų77.77%0.07443%0.428CS..  trans-78.8141.9163.3-175.30000110L229 C230 R232 F234 L240 H247C227-L229 PolarHBondContact SG-N 3.02Å; C227-L229 VanDerWaalsContact SG-N 3.39Å; C227-C230 WeakPolarHBondContact CB-O 3.38Å; C227-R232 PolarHBondContact N-O 3.05Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; C227-L240 HydrophobicContact CB-CD1 3.89Å; C227-H247 PolarHBondContact SG-NE2 3Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å
228A83.3Confident75.5Confident99 Ų9978.1 Ų78.182%0.81843%0.433SS*.SBendtrans-80.7-16.6175.800000113.3
229L84Confident76Confident112 Ų11281.1 Ų81.159%0.58645%0.445SS*.SBendtrans-106.7-11.1-173.2-59.4176.3000113.4C227 M244 H247C227-L229 PolarHBondContact SG-N 3.02Å; C227-L229 VanDerWaalsContact SG-N 3.39Å; L229-M244 HydrophobicContact CD1-CE 3.68Å; L229-M244 HydrophobicContact CG-CE 4.09Å; L229-H247 HydrophobicContact CD1-CB 3.52Å
230C86.1Confident76.5Confident33 Ų3379.9 Ų79.922%0.22344%0.44CS..SBendtrans-158.7163.317678.20000111C227 R232 H243C227-C230 WeakPolarHBondContact CB-O 3.38Å; C230-R232 PolarHBondContact O-N 3.24Å; C230-H243 PolarHBondContact SG-NE2 2.92Å
231P78.9Confident77.2Confident133 Ų13377.2 Ų77.286%0.86443%0.428SS*.SBendtrans-72.914.7-17530.2-36.7000115
232R76.9Confident78.2Confident148 Ų14881.8 Ų81.856%0.55843%0.433SS*.  trans-74.5129.5178.2-72.3-173171.8-173.4-2.4111C227 C230 F234C227-R232 PolarHBondContact N-O 3.05Å; C230-R232 PolarHBondContact O-N 3.24Å; R232-F234 HydrophobicContact CB-CE2 3.66Å; R232-F234 HydrophobicContact CB-CZ 3.78Å
233V78.3Confident79.6Confident60 Ų6081.2 Ų81.236%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-120.2125.8177.8-170.20000110.6K223K223-V233 HydrophobicContact CB-CG1 3.78Å; K223-V233 HydrophobicContact CD-CB 4.11Å; K223-V233 HydrophobicContact CD-CG1 4.01Å; K223-V233 WeakPolarHBondContact CE-O 3.41Å; K223-V233 HydrophobicContact CG-CG1 4.07Å
234F79.9Confident80.6Confident40 Ų4077.2 Ų77.218%0.17541%0.409CS..EExtended strand (participates in β ladder)trans-106.4148.4-174.5-57.6-90.4000111.5F225 C227 R232 H239 L240 H243F225-F234 HydrophobicContact CB-CB 4.34Å; F225-F234 PolarHBondContact N-O 3.18Å; F225-F234 PolarHBondContact O-N 3.46Å; C227-F234 HydrophobicContact CB-CE2 4.38Å; R232-F234 HydrophobicContact CB-CE2 3.66Å; R232-F234 HydrophobicContact CB-CZ 3.78Å; F234-H239 HydrophobicContact CB-CB 4.47Å; F234-H239 HydrophobicContact CD1-CB 3.9Å; F234-H239 HydrophobicContact CG-CB 4.45Å; F234-L240 HydrophobicContact CB-CB 4.39Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 3.96Å; F234-L240 HydrophobicContact CE2-CD1 4.09Å; F234-L240 HydrophobicContact CG-CB 4.27Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.39Å; F234-H243 AromaticContact CE2-CG 3.91Å; F234-H243 HydrophobicContact CZ-CB 3.59Å; F234-H243 AromaticContact CZ-CD2 3.3Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.21Å; F234-H243 AromaticContact CZ-CG 3.44Å; F234-H243 VanDerWaalsContact CZ-CG 3.44Å
235M74.8Confident81.6Confident54 Ų5478 Ų7827%0.26641%0.408SS..SBendtrans-76.6-12.7170.8-62.9-73.8-79.300112.4Q217 T218 K223Q217-M235 HydrophobicContact CB-CE 4.09Å; Q217-M235 WeakPolarHBondContact O-CE 3.47Å; T218-M235 HydrophobicContact CG2-CE 4.24Å; K223-M235 HydrophobicContact CB-SD 4.36Å; K223-M235 HydrophobicContact CG-CG 4.37Å; K223-M235 HydrophobicContact CG-SD 3.66Å
236R73.9Confident82Confident73 Ų7378.8 Ų78.828%0.27542%0.418SS..  trans-141.3135.9-169.3-75.5167.760.6166.72.8111.8D238 H239 L240R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact CZ-OD1 3.51Å; R236-D238 IonicContact CZ-OD2 2.7Å; R236-D238 IonicContact NE-OD1 3.66Å; R236-D238 PolarHBondContact NE-OD1 2.87Å; R236-D238 IonicContact NE-OD2 3.43Å; R236-D238 VanDerWaalsContact NH2-CG 3.32Å; R236-D238 IonicContact NH2-OD1 2.68Å; R236-D238 PolarHBondContact NH2-OD1 3.06Å; R236-D238 IonicContact NH2-OD2 3.18Å; R236-D238 PolarHBondContact NH2-OD2 2.95Å; R236-H239 HydrophobicContact CB-CB 4.17Å; R236-H239 PolarHBondContact NH1-NE2 3.42Å; R236-H239 PolarHBondContact NH2-NE2 3.24Å; R236-H239 PolarHBondContact O-N 3.41Å; R236-L240 PolarHBondContact O-N 3.4Å; R236-L240 VanDerWaalsContact O-N 3.14Å
237N80.1Confident82Confident96 Ų9678.2 Ų78.251%0.51341%0.407SS..Hα-helixtrans-61.6-42.7174.2-171.3-26.5000111.8F225 H239 L240 A241F225-N237 HydrophobicContact CD1-CB 4.03Å; F225-N237 HydrophobicContact CE1-CB 3.85Å; F225-N237 HydrophobicContact CE2-CB 4.44Å; F225-N237 HydrophobicContact CG-CB 4.4Å; F225-N237 HydrophobicContact CZ-CB 4.07Å; N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.36Å; N237-L240 CarbonylContact O-C 3.55Å; N237-L240 WeakPolarHBondContact O-CA 3.41Å; N237-L240 WeakPolarHBondContact O-CB 3.09Å; N237-L240 PolarHBondContact O-N 2.84Å; N237-A241 WeakPolarHBondContact O-CB 3.35Å; N237-A241 PolarHBondContact O-N 3.48Å
238D81.6Confident81.5Confident78 Ų7884.9 Ų84.942%0.41744%0.437SS..Hα-helixtrans-66.5-26.9-179.672.5-65.8000113.6R236 K242R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact CZ-OD1 3.51Å; R236-D238 IonicContact CZ-OD2 2.7Å; R236-D238 IonicContact NE-OD1 3.66Å; R236-D238 PolarHBondContact NE-OD1 2.87Å; R236-D238 IonicContact NE-OD2 3.43Å; R236-D238 VanDerWaalsContact NH2-CG 3.32Å; R236-D238 IonicContact NH2-OD1 2.68Å; R236-D238 PolarHBondContact NH2-OD1 3.06Å; R236-D238 IonicContact NH2-OD2 3.18Å; R236-D238 PolarHBondContact NH2-OD2 2.95Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.8Å; D238-K242 VanDerWaalsContact O-N 3.1Å
239H83.6Confident80.4Confident93 Ų9384 Ų8443%0.43142%0.424SS..Hα-helixtrans-72.8-42169.6-69.4-20.1000112.1F234 R236 N237 K242 H243F234-H239 HydrophobicContact CB-CB 4.47Å; F234-H239 HydrophobicContact CD1-CB 3.9Å; F234-H239 HydrophobicContact CG-CB 4.45Å; R236-H239 HydrophobicContact CB-CB 4.17Å; R236-H239 PolarHBondContact NH1-NE2 3.42Å; R236-H239 PolarHBondContact NH2-NE2 3.24Å; R236-H239 PolarHBondContact O-N 3.41Å; N237-H239 VanDerWaalsContact C-N 3.26Å; N237-H239 PolarHBondContact O-N 3.36Å; H239-K242 PolarHBondContact O-N 2.98Å; H239-H243 WeakPolarHBondContact O-CB 3.31Å; H239-H243 PolarHBondContact O-N 2.83Å
240L85.6Confident79Confident27 Ų2784.3 Ų84.314%0.14143%0.433CS..Hα-helixtrans-59-49.1171.5171.761000110.9F225 S226 C227 F234 R236 N237 K242 H243 M244F225-L240 HydrophobicContact CB-CB 4.34Å; F225-L240 HydrophobicContact CB-CD2 3.97Å; S226-L240 WeakPolarHBondContact O-CD2 3.44Å; C227-L240 HydrophobicContact CB-CD1 3.89Å; F234-L240 HydrophobicContact CB-CB 4.39Å; F234-L240 HydrophobicContact CD2-CB 3.98Å; F234-L240 HydrophobicContact CD2-CD1 3.96Å; F234-L240 HydrophobicContact CE2-CD1 4.09Å; F234-L240 HydrophobicContact CG-CB 4.27Å; R236-L240 PolarHBondContact O-N 3.4Å; R236-L240 VanDerWaalsContact O-N 3.14Å; N237-L240 CarbonylContact O-C 3.55Å; N237-L240 WeakPolarHBondContact O-CA 3.41Å; N237-L240 WeakPolarHBondContact O-CB 3.09Å; N237-L240 PolarHBondContact O-N 2.84Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.39Å; L240-M244 HydrophobicContact CD1-CG 4.17Å; L240-M244 HydrophobicContact CD1-SD 3.92Å; L240-M244 HydrophobicContact CG-CG 4.44Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.26Å
241A85.4Confident77.4Confident45 Ų4588.7 Ų88.737%0.37246%0.462SS..Hα-helixtrans-61.3-33.4179.200000113.1N237N237-A241 WeakPolarHBondContact O-CB 3.35Å; N237-A241 PolarHBondContact O-N 3.48Å
242K85.5Confident76Confident150 Ų15086 Ų8665%0.65246%0.457SS*.Hα-helixtrans-73.1-33.6172-164.1178.2-176.1-174.20112.1D238 H239 L240D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 PolarHBondContact O-N 2.8Å; D238-K242 VanDerWaalsContact O-N 3.1Å; H239-K242 PolarHBondContact O-N 2.98Å; L240-K242 VanDerWaalsContact C-N 3.28Å; L240-K242 PolarHBondContact O-N 3.03Å
243H86.8Confident74.4Confident16 Ų1687 Ų877%0.07447%0.468CS..Hα-helixtrans-72.7-34.6175171.949.1000113.3C230 F234 H239 L240 R245 T246 H247C230-H243 PolarHBondContact SG-NE2 2.92Å; F234-H243 HydrophobicContact CE1-CB 4.12Å; F234-H243 HydrophobicContact CE2-CB 4.12Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.39Å; F234-H243 AromaticContact CE2-CG 3.91Å; F234-H243 HydrophobicContact CZ-CB 3.59Å; F234-H243 AromaticContact CZ-CD2 3.3Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.21Å; F234-H243 AromaticContact CZ-CG 3.44Å; F234-H243 VanDerWaalsContact CZ-CG 3.44Å; H239-H243 WeakPolarHBondContact O-CB 3.31Å; H239-H243 PolarHBondContact O-N 2.83Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.24Å; L240-H243 WeakPolarHBondContact O-CB 3.32Å; L240-H243 PolarHBondContact O-N 3.39Å; H243-R245 PolarHBondContact O-N 2.89Å; H243-R245 VanDerWaalsContact O-N 3.15Å; H243-T246 PolarHBondContact CE1-OG1 2.94Å; H243-T246 PolarHBondContact ND1-OG1 3.39Å; H243-T246 WeakPolarHBondContact O-CB 3.45Å; H243-T246 PolarHBondContact O-N 3.43Å; H243-T246 PolarHBondContact O-OG1 2.38Å; H243-H247 AromaticContact CD2-NE2 3.95Å; H243-H247 AromaticContact CE1-CD2 3.9Å; H243-H247 AromaticContact CE1-CE1 3.87Å; H243-H247 AromaticContact CE1-NE2 3.16Å; H243-H247 PolarHBondContact CE1-NE2 3.21Å; H243-H247 AromaticContact NE2-CD2 3.91Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.06Å; H243-H247 PolarHBondContact NE2-NE2 3.17Å
244M84.6Confident73.2Confident51 Ų5188.4 Ų88.425%0.25150%0.495SS..Hα-helixtrans-55.3-36.5176.9-68.4-53.2-6200111.9L229 L240 T246 H247L229-M244 HydrophobicContact CD1-CE 3.68Å; L229-M244 HydrophobicContact CG-CE 4.09Å; L240-M244 HydrophobicContact CD1-CG 4.17Å; L240-M244 HydrophobicContact CD1-SD 3.92Å; L240-M244 HydrophobicContact CG-CG 4.44Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 3.26Å; M244-T246 PolarHBondContact O-N 2.64Å; M244-T246 VanDerWaalsContact O-N 3.15Å; M244-H247 WeakPolarHBondContact O-CB 3.19Å; M244-H247 PolarHBondContact O-N 3.26Å
245R86.1Confident71.4Confident168 Ų16892.6 Ų92.663%0.63452%0.515SS*.THydrogen-bonded Turntrans-63-17.4174.9-56.7178.5-169.7-175.3-1.2114.7H243 H247H243-R245 PolarHBondContact O-N 2.89Å; H243-R245 VanDerWaalsContact O-N 3.15Å; R245-H247 VanDerWaalsContact C-N 3.3Å
246T82.4Confident70.3Confident87 Ų8799.1 Ų99.153%0.53454%0.544SS..THydrogen-bonded Turntrans-81-12.8174.4710000112.6H243 M244H243-T246 PolarHBondContact CE1-OG1 2.94Å; H243-T246 PolarHBondContact ND1-OG1 3.39Å; H243-T246 WeakPolarHBondContact O-CB 3.45Å; H243-T246 PolarHBondContact O-N 3.43Å; H243-T246 PolarHBondContact O-OG1 2.38Å; M244-T246 PolarHBondContact O-N 2.64Å; M244-T246 VanDerWaalsContact O-N 3.15Å
247H80.3Confident68.5Low68 Ų68102.6 Ų102.632%0.31556%0.558SS.*THydrogen-bonded Turntrans-92.8-16.8172.2-61.5-73.2000112.9C227 L229 H243 M244 R245C227-H247 PolarHBondContact SG-NE2 3Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å; L229-H247 HydrophobicContact CD1-CB 3.52Å; H243-H247 AromaticContact CD2-NE2 3.95Å; H243-H247 AromaticContact CE1-CD2 3.9Å; H243-H247 AromaticContact CE1-CE1 3.87Å; H243-H247 AromaticContact CE1-NE2 3.16Å; H243-H247 PolarHBondContact CE1-NE2 3.21Å; H243-H247 AromaticContact NE2-CD2 3.91Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.06Å; H243-H247 PolarHBondContact NE2-NE2 3.17Å; M244-H247 WeakPolarHBondContact O-CB 3.19Å; M244-H247 PolarHBondContact O-N 3.26Å; R245-H247 VanDerWaalsContact C-N 3.3Å
248E74Confident67.2Low151 Ų151104.7 Ų104.771%0.70657%0.573SS**SBendtrans-84.2-14.5179.4-66.8167.317500112.9
249S59.7Low65.1Low80 Ų80106.9 Ų106.956%0.55959%0.585SS**SBendtrans-91.8145173.3-72.70000111.4
250P53.8Low63.1Low119 Ų119105.4 Ų105.477%0.77360%0.595SS**  trans-62.8148.9-176.124.8-34000112.9G252P250-G252 PolarHBondContact O-N 3.41Å; P250-G252 VanDerWaalsContact O-N 3.09Å
251P52.2Low60.7Low126 Ų126111.8 Ų111.882%0.81863%0.63SS**  trans-78.3100.1-163.230.4-36000112.9H253P251-H253 PolarHBondContact O-N 3.27Å; P251-H253 VanDerWaalsContact O-N 3.17Å
252G49.8Very low58.4Low75 Ų75112.8 Ų112.877%0.77364%0.644SS**  trans-70.999.6153.700000109.1P250P250-G252 PolarHBondContact O-N 3.41Å; P250-G252 VanDerWaalsContact O-N 3.09Å
253H44.3Very low56.2Low171 Ų171114.5 Ų114.579%0.79265%0.652SS**  trans20.4119.8170.5-75.6-94.1000118.2P251 E255P251-H253 PolarHBondContact O-N 3.27Å; P251-H253 VanDerWaalsContact O-N 3.17Å; H253-E255 PolarHBondContact O-N 3.39Å
254G53.9Low53.5Low89 Ų89116 Ų11692%0.91867%0.671SS**  trans-60.1101.8165.200000111.2
255E40.6Very low51.3Low128 Ų128119.8 Ų119.860%0.59869%0.687SS**  trans-90.9115160.1-73.9-172.9103.600108.8H253 R257H253-E255 PolarHBondContact O-N 3.39Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.32Å; E255-R257 IonicContact OE1-CZ 3.2Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NH1 2.8Å; E255-R257 PolarHBondContact OE1-NH1 2.62Å; E255-R257 VanDerWaalsContact OE1-NH1 3.09Å; E255-R257 IonicContact OE1-NH2 3.41Å; E255-R257 PolarHBondContact OE1-NH2 3.15Å; E255-R257 IonicContact OE2-CZ 3.24Å; E255-R257 IonicContact OE2-NH1 3.09Å; E255-R257 PolarHBondContact OE2-NH1 3.42Å; E255-R257 IonicContact OE2-NH2 2.68Å
256E51.3Low48.7Very low190 Ų190118.7 Ų118.789%0.88869%0.693SS**  trans-60.895.5161-178.7161.190.600108.9
257R37Very low46.3Very low147 Ų147118.3 Ų118.356%0.55570%0.699SS**  trans-119.4105.5160.7-72.1-161.8179.685.215.1109E255 N259E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.32Å; E255-R257 IonicContact OE1-CZ 3.2Å; E255-R257 VanDerWaalsContact OE1-CZ 3.24Å; E255-R257 IonicContact OE1-NH1 2.8Å; E255-R257 PolarHBondContact OE1-NH1 2.62Å; E255-R257 VanDerWaalsContact OE1-NH1 3.09Å; E255-R257 IonicContact OE1-NH2 3.41Å; E255-R257 PolarHBondContact OE1-NH2 3.15Å; E255-R257 IonicContact OE2-CZ 3.24Å; E255-R257 IonicContact OE2-NH1 3.09Å; E255-R257 PolarHBondContact OE2-NH1 3.42Å; E255-R257 IonicContact OE2-NH2 2.68Å; R257-N259 HydrophobicContact CB-CB 4.39Å; R257-N259 PolarHBondContact O-N 3.48Å
258V53.3Low44Very low139 Ų139119.7 Ų119.784%0.84271%0.714SS**  trans-65.181151.9179.90000107.2
259N36.3Very low42Very low125 Ų125118.1 Ų118.167%0.66872%0.715SS**  trans-149.2134.7167.9-76.7-64.1000105.2R257R257-N259 HydrophobicContact CB-CB 4.39Å; R257-N259 PolarHBondContact O-N 3.48Å
260G42.9Very low40.7Very low62 Ų62118.9 Ų118.964%0.63972%0.718SS**  cis139.8-4.829.200000110.8
261D34.4Very low39.7Very low161 Ų161119.4 Ų119.486%0.86172%0.721SS**  trans-107.222.6175.4-68.2-69.3000114K263D261-K263 VanDerWaalsContact C-N 3.31Å; D261-K263 PolarHBondContact O-N 2.39Å
262G37.9Very low38.6Very low66 Ų66122 Ų12268%0.6872%0.722SS**SBendtrans-64.6106135.900000106.1G264G262-G264 PolarHBondContact O-N 3.23Å
263K38.3Very low37.7Very low186 Ų186123.7 Ų123.781%0.80972%0.722SS**  trans-60.792.5157.2-77.8-127.8172.6-161.10106.2D261 F265D261-K263 VanDerWaalsContact C-N 3.31Å; D261-K263 PolarHBondContact O-N 2.39Å; K263-F265 PolarHBondContact O-N 3.21Å
264G30.8Very low36.9Very low47 Ų47121.5 Ų121.549%0.48573%0.726SS.*  trans-51.1136.1169.200000107.6G262 D266G262-G264 PolarHBondContact O-N 3.23Å; G264-D266 PolarHBondContact O-N 3.34Å
265F37.9Very low35.8Very low131 Ų131122.4 Ų122.458%0.57572%0.719SS**  trans-84.583.6157.6-54-74.5000103.6T218 K263 A267T218-F265 HydrophobicContact CG2-CD2 4.4Å; T218-F265 HydrophobicContact CG2-CE1 4.25Å; T218-F265 HydrophobicContact CG2-CE2 3.56Å; T218-F265 HydrophobicContact CG2-CZ 3.46Å; T218-F265 VanDerWaalsContact CG2-CZ 3.46Å; K263-F265 PolarHBondContact O-N 3.21Å; F265-A267 PolarHBondContact O-N 3.12Å
266D31Very low35.2Very low144 Ų144124 Ų12477%0.7773%0.732SS**  trans-51.7137175.1-60-61.4000108.3G264G264-D266 PolarHBondContact O-N 3.34Å
267A33.5Very low34.2Very low79 Ų79120.6 Ų120.665%0.65373%0.728SS**  trans-56.6145.917200000108.7F265 T269F265-A267 PolarHBondContact O-N 3.12Å; A267-T269 PolarHBondContact O-N 3.48Å
268P30.7Very low33.9Very low97 Ų97119.3 Ų119.363%0.6374%0.737SS**  trans-65.399.1178.925.3-31.9000110.2F201F201-P268 HydrophobicContact CD2-CG 4.36Å
269T31.7Very low32.9Very low119 Ų119120.9 Ų120.973%0.7374%0.735SS**PPolyproline II helixtrans-58.6133.4166.6-52.20000108.7A267A267-T269 PolarHBondContact O-N 3.48Å
270P32.5Very low33.1Very low96 Ų96120 Ų12062%0.62374%0.736SS**PPolyproline II helixtrans-62149.5178.625.9-34.7000111.2Q272P270-Q272 PolarHBondContact O-N 3.4Å; P270-Q272 VanDerWaalsContact O-N 3.16Å
271P33.5Very low32.8Very low129 Ų129125.2 Ų125.284%0.83874%0.744SS**PPolyproline II helixtrans-64.1118.1-178.126-33.7000110.8S273P271-S273 PolarHBondContact O-N 3.07Å
272Q29Very low32.8Very low181 Ų181125.5 Ų125.585%0.84675%0.745SS**PPolyproline II helixtrans-70.8120.8166.1-69.8-83.5-92.700108.5P270 S274P270-Q272 PolarHBondContact O-N 3.4Å; P270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-S274 PolarHBondContact O-N 3.36Å
273S31.3Very low32.8Very low110 Ų110131.6 Ų131.677%0.76975%0.752SS**PPolyproline II helixtrans-67.5121.1176.549.30000110.9P271 S275P271-S273 PolarHBondContact O-N 3.07Å; S273-S275 PolarHBondContact O-N 3.42Å
274S27.4Very low32.8Very low125 Ų125130.2 Ų130.287%0.87475%0.753SS**  trans-74.7109.6169.154.80000110.4Q272Q272-S274 PolarHBondContact O-N 3.36Å
275S30.7Very low33Very low109 Ų109136.2 Ų136.276%0.76277%0.766SS**  trans-130.187.7164.759.50000108.7S273S273-S275 PolarHBondContact O-N 3.42Å
276D26.9Very low32.7Very low162 Ų162135.3 Ų135.387%0.86677%0.774SS**  trans-98.6107.7169.2-163.863.2000107.6
277S31.4Very low32.9Very low117 Ų117135.6 Ų135.682%0.81877%0.771SS**  trans-125.8133.5171-79.10000108.3
278T31.5Very low33.1Very low120 Ų120139.3 Ų139.374%0.73678%0.779SS**  trans-74.4144.7-161-37.30000115
279E31.9Very low33.4Very low172 Ų172141.6 Ų141.680%0.80479%0.785SS**  trans66.8166.1154.1-94.9-1728600120.6
280P39.2Very low34.1Very low107 Ų107141.8 Ų141.870%0.69579%0.789SS**  cis-125.4174.3-30.425.5-5.4000113.8
281Q36.7Very low34.4Very low171 Ų171142.1 Ų142.180%0.79979%0.793SS**  trans-70.8131.3178.8-69.2-93-35.300113.7
282L34.1Very low34.9Very low168 Ų168142.4 Ų142.488%0.8879%0.792SS**  trans-125.4114154.3-78.8176.2000110.8L284L282-L284 PolarHBondContact O-N 3.47Å
283K38.8Very low35.4Very low193 Ų193138.4 Ų138.484%0.83979%0.785SS**  trans-69.7117.5173.7-83.7161.5170.4163.20110
284L38Very low35.6Very low158 Ų158140.6 Ų140.683%0.82779%0.787SS**  trans-106.2116.8148.6-9080.3000109.1L282L282-L284 PolarHBondContact O-N 3.47Å
285K36.1Very low36.2Very low173 Ų173141.3 Ų141.375%0.75279%0.786SS**  trans-88.3118.8171.8176.8100.8165.9-173.10106.4E287K285-E287 WeakPolarHBondContact CE-OE2 3.22Å; K285-E287 WeakPolarHBondContact CG-OE2 3.17Å
286C31.4Very low36.8Very low111 Ų111145.9 Ų145.975%0.7581%0.81SS**  trans-111.7104.9166.2-66.70000107.7
287E34.7Very low37.3Very low150 Ų150145.1 Ų145.170%0.70181%0.807SS**  trans-65.7147164.2-88.4135.191.300110.1K285K285-E287 WeakPolarHBondContact CE-OE2 3.22Å; K285-E287 WeakPolarHBondContact CG-OE2 3.17Å
288I37.7Very low37.6Very low158 Ų158146.6 Ų146.681%0.8181%0.807SS**  trans-118.8105.1174.3-60.7173.6000106.2
289D37.2Very low37.9Very low144 Ų144148.1 Ų148.177%0.7781%0.811SS**  trans-77.6131.3173.5-83.3-50.8000111.1S291D289-S291 PolarHBondContact O-N 3.29Å
290P46.2Very low38.3Very low124 Ų124146.6 Ų146.681%0.80581%0.811SS**  trans-97.376.6179.636.5-33.2000112.9
291S38.3Very low38.2Very low102 Ų102149.1 Ų149.171%0.71382%0.818SS**  trans-160143.7154.161.60000107.2D289D289-S291 PolarHBondContact O-N 3.29Å
292V44Very low38.3Very low135 Ų135147.7 Ų147.782%0.81882%0.82SS**  -145161.852.2-159.10000111.6
293S39Very low38.6Very low98 Ų98146.2 Ų146.269%0.68582%0.815SS**  trans-70.5155.8-177.550.40000116.9
294N37.3Very low38.6Very low155 Ų155142.6 Ų142.683%0.82981%0.813SS**  trans0.7131.3151.1-63.4-16.6000118.7
295V40Very low38.6Very low140 Ų140141.3 Ų141.385%0.84881%0.812SS**  -134.7147.2128.2-178.50000108.4
296T41.8Very low38.9Very low206 Ų206138.5 Ų138.5100%1.26482%0.818SS**  trans-54.70-178.751.90000115.8

Retrieved 296 of 296 residues in 80.9 ms (Link to these results)