A0A087YCP2_POEFO Loading...

Cellular repressor of E1A-stimulated genes 2

AlphaFold DB , UniProt , Accession A0A087YCP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 301 aa.

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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
1M38.4Very low35.8Very low253 Ų253163 Ų163100%1.24684%0.84SS**  0140.50-131.4158.5167.800107.7
2K34.7Very low35.6Very low206 Ų206167.6 Ų167.690%0.89684%0.839SS**  trans-60.1160.8-165.1-77.1165.7169.7175.10115
3S38Very low35.5Very low99 Ų99165.2 Ų165.269%0.69284%0.838SS**  trans-47.9175.3171.860.30000115.1
4P44.5Very low35.1Very low129 Ų129162.9 Ų162.984%0.83883%0.829SS**  -143.1146.793.433.5-15.9000115.8
5T39.2Very low35.1Very low130 Ų130159.9 Ų159.980%0.79882%0.821SS**  trans-82147.7158.426.50000110.8
6R33.4Very low34.9Very low218 Ų218160.1 Ų160.182%0.82382%0.824SS**  trans179.1146.1154.3-106-171.8174.1158.93.9107.3
7E32.9Very low34.7Very low155 Ų155154.3 Ų154.372%0.72481%0.813SS**  cis-168.5151-6.3-137.9161.5-149.700104.7
8F34.6Very low34.6Very low202 Ų202156.9 Ų156.989%0.88682%0.82SS**  trans-70.4139.3175.2-100.6-105.3000111.5
9V34.8Very low34.6Very low129 Ų129154.3 Ų154.378%0.78282%0.816SS**  trans-135.1116.8152.9-179.10000109.8
10N30.3Very low35Very low142 Ų142152.1 Ų152.176%0.75981%0.811SS**  trans-88.7127.6171.9-170.418000108
11T33.1Very low35Very low130 Ų130151 Ų15180%0.79881%0.81SS**  trans-137.8112163.2230000109.3
12R32.7Very low34.8Very low218 Ų218144 Ų14482%0.82379%0.786SS**  trans-103.6125.1171.9-152.3-171.5-139.9163.23.7106.2
13V34.9Very low34.7Very low137 Ų137142.3 Ų142.383%0.8378%0.784SS**  trans-138.3106.1160.5-1790000107.4
14D30.5Very low34.7Very low133 Ų133149 Ų14971%0.71179%0.794SS**  trans-72.3141162.3-76.4-62.6000109.9
15V33.9Very low34.5Very low117 Ų117147.8 Ų147.871%0.70979%0.785SS**  trans-159.1117.8140.8-178.30000111
16N32.1Very low34.7Very low163 Ų163153.1 Ų153.187%0.87279%0.791SS**  trans53.5138.7148.7-54.9-18000120.3
17G31.6Very low35.4Very low62 Ų62152.1 Ų152.164%0.63979%0.789SS**  cis159.9164.710.300000108.5
18H33.4Very low35.9Very low201 Ų201152.9 Ų152.993%0.93179%0.79SS**  trans90.5106.1177.4-65.472.8000117.7
19S35.1Very low36.5Very low108 Ų108148.2 Ų148.276%0.75578%0.78SS**  trans-88.7152149.450.60000108.4
20P41.8Very low37.2Very low109 Ų109150.1 Ų150.171%0.70879%0.785SS**  -149.8162.480.636-15000116.8
21T34.3Very low38.2Very low130 Ų130146.4 Ų146.480%0.79877%0.774SS**  trans72.8122.4146.851.80000122.3
22S34.2Very low38.9Very low105 Ų105146.3 Ų146.373%0.73477%0.767SS**  trans70.2103.1132.5-163.60000118.6
23M33.2Very low39.6Very low172 Ų172141.4 Ų141.485%0.84777%0.765SS**  166.9110.6104.7-158.4170.8-77.700108.3
24R39.2Very low40.3Very low240 Ų240138.8 Ų138.891%0.90676%0.758SS**  trans-82.2128.5171.2-80.4-177.9176.2-179.2-1.1109
25P39.3Very low41.3Very low102 Ų102136.6 Ų136.666%0.66275%0.753SS**  trans-76.8127166.229.8-27.6000109.2Y27P25-Y27 HydrophobicContact CG-CE2 4.39Å; P25-Y27 PolarHBondContact O-N 3.33Å
26R44.5Very low42Very low242 Ų242138.1 Ų138.191%0.91376%0.757SS**  trans-72.6107.5176.3-66.5173.8177.4166.2-1.9108.8
27Y47Very low42.8Very low198 Ų198137.4 Ų137.478%0.77675%0.752SS**  trans-86.2146.1156.1-69.6-84.9000108.1P25P25-Y27 HydrophobicContact CG-CE2 4.39Å; P25-Y27 PolarHBondContact O-N 3.33Å
28F44.2Very low43.7Very low170 Ų170140.1 Ų140.175%0.74676%0.76SS**  trans96.4123.1-170.6-70.3-87.6000114.5A31F28-A31 HydrophobicContact CD1-CB 4.02Å; F28-A31 HydrophobicContact CE1-CB 3.78Å
29P46.1Very low44.4Very low104 Ų104138.7 Ų138.768%0.67576%0.758SS**  cis-133.8110.442.635.1-15.6000114.3
30L49Very low44.7Very low170 Ų170138.7 Ų138.789%0.8976%0.757SS**SBendtrans-103.95.7157.8-114.9141.1000111.8
31A51.5Low44.8Very low63 Ų63144.3 Ų144.352%0.52176%0.764SS.*SBendtrans-101.416.1-178.700000114.1F28F28-A31 HydrophobicContact CD1-CB 4.02Å; F28-A31 HydrophobicContact CE1-CB 3.78Å
32L49.5Very low45.1Very low128 Ų128143.8 Ų143.867%0.6777%0.765SS**SBendtrans-113.11178.3-113.4141.8000114
33C45.7Very low45.6Very low115 Ų115148.3 Ų148.378%0.77777%0.768SS**SBendtrans-103-5.2171.4-73.60000114
34A50.2Low45.8Very low83 Ų83146.4 Ų146.469%0.68677%0.766SS**SBendtrans-90.5-6.5178.500000113.9
35S50.5Low45.6Very low86 Ų86142.6 Ų142.660%0.60176%0.763SS**SBendtrans-101.48.2-175.639.70000114.8
36L48.5Very low45.6Very low150 Ų150149 Ų14979%0.78577%0.774SS**SBendtrans-113.21.3178.6-92.7155.2000115.1
37L50.7Low45Very low148 Ų148142.1 Ų142.178%0.77576%0.763SS**SBendtrans-105.76.6176.2-74.1167.6000114.1
38C49.3Very low44.5Very low119 Ų119138 Ų13880%0.80476%0.763SS**THydrogen-bonded Turntrans-101.430.1178.2-90.10000114.4
39L48.4Very low44Very low170 Ų170134.9 Ų134.989%0.8976%0.757SS**THydrogen-bonded Turntrans-128.213171.4-80.3169.7000114.3R41L39-R41 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact O-N 3.16Å
40C41.9Very low43.5Very low108 Ų108134.6 Ų134.673%0.7376%0.758SS**  trans-84.186.5162.7-64.50000108.2S42C40-S42 PolarHBondContact O-N 2.8Å; C40-S42 VanDerWaalsContact O-N 3.08Å
41R42.5Very low42.9Very low228 Ų228137.1 Ų137.186%0.8676%0.756SS**  trans-53.8114.4157.1-86.4-178.2170.7-171.6-3.1106.5L39 Y43L39-R41 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact O-N 3.16Å; R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 WeakPolarHBondContact O-CD1 3.22Å; R41-Y43 PolarHBondContact O-N 3.3Å
42S41.2Very low41.9Very low118 Ų118139.9 Ų139.983%0.82577%0.766SS**  trans-59.298.4168.9-46.20000108C40C40-S42 PolarHBondContact O-N 2.8Å; C40-S42 VanDerWaalsContact O-N 3.08Å
43Y44.3Very low41.1Very low200 Ų200139.5 Ų139.578%0.78477%0.769SS**  trans-84.7109.8166.346.8-89.8000106.9R41 L45R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 WeakPolarHBondContact O-CD1 3.22Å; R41-Y43 PolarHBondContact O-N 3.3Å; Y43-L45 PolarHBondContact O-N 2.85Å
44T39.3Very low40.4Very low133 Ų133138.7 Ų138.782%0.81676%0.764SS**  trans-86.590.4163.239.10000107.7R46T44-R46 VanDerWaalsContact C-N 3.35Å; T44-R46 PolarHBondContact O-N 3.27Å; T44-R46 VanDerWaalsContact O-N 3.09Å
45L34.7Very low39.7Very low159 Ų159140 Ų14083%0.83277%0.768SS**  trans-71.495.2161.3-94.9163.2000107.3Y43 S47Y43-L45 PolarHBondContact O-N 2.85Å; L45-S47 PolarHBondContact O-N 3.45Å
46R38.2Very low39Very low238 Ų238143.1 Ų143.190%0.89878%0.778SS**  trans-78.4100.1167.4-140.4-174.4-172.6-1632.8107.1T44 S48T44-R46 VanDerWaalsContact C-N 3.35Å; T44-R46 PolarHBondContact O-N 3.27Å; T44-R46 VanDerWaalsContact O-N 3.09Å; R46-S48 PolarHBondContact O-N 2.85Å
47S32.5Very low38.2Very low97 Ų97142.7 Ų142.768%0.67878%0.777SS**  trans-52.7125169.7-179.40000109.5L45 V49L45-S47 PolarHBondContact O-N 3.45Å; S47-V49 PolarHBondContact O-N 3.01Å; S47-V49 VanDerWaalsContact O-N 3.15Å
48S35.6Very low37.6Very low112 Ų112142.6 Ų142.678%0.78378%0.782SS**  trans-60.6113.4163-55.90000107.4R46 S50R46-S48 PolarHBondContact O-N 2.85Å; S48-S50 PolarHBondContact O-N 3.49Å; S48-S50 VanDerWaalsContact O-N 3.09Å
49V34.7Very low36.7Very low103 Ų103143.4 Ų143.462%0.62478%0.778SS**  trans-78.495175.8-176.20000107.2S47 W51S47-V49 PolarHBondContact O-N 3.01Å; S47-V49 VanDerWaalsContact O-N 3.15Å; V49-W51 HydrophobicContact CG1-CD2 4.15Å; V49-W51 HydrophobicContact CG1-CG 4.37Å; V49-W51 HydrophobicContact CG1-CZ2 4.18Å; V49-W51 PolarHBondContact O-N 3.07Å
50S35.2Very low36Very low98 Ų98140.5 Ų140.569%0.68577%0.767SS**  trans-79.1108.916153.40000107.4S48 V52S48-S50 PolarHBondContact O-N 3.49Å; S48-S50 VanDerWaalsContact O-N 3.09Å; S50-V52 PolarHBondContact O-N 2.92Å; S50-V52 VanDerWaalsContact O-N 3.07Å
51W35.6Very low35.7Very low224 Ų224144.5 Ų144.585%0.84878%0.776SS**  trans-69.8102.9168.6-67100.6000108.6V49V49-W51 HydrophobicContact CG1-CD2 4.15Å; V49-W51 HydrophobicContact CG1-CG 4.37Å; V49-W51 HydrophobicContact CG1-CZ2 4.18Å; V49-W51 PolarHBondContact O-N 3.07Å
52V30.9Very low35.3Very low121 Ų121141 Ų14173%0.73377%0.773SS**  trans-82.9104154.71690000105.4S50 S54S50-V52 PolarHBondContact O-N 2.92Å; S50-V52 VanDerWaalsContact O-N 3.07Å; V52-S54 PolarHBondContact O-N 2.86Å
53V34Very low34.9Very low120 Ų120140.3 Ų140.373%0.72778%0.775SS**  trans-80.6110.1163.9176.60000105.9S55V53-S55 PolarHBondContact O-N 3.14Å
54S31.2Very low34.3Very low98 Ų98137.4 Ų137.469%0.68577%0.773SS**  trans-65.8115.5166.3-680000108.4V52 N56V52-S54 PolarHBondContact O-N 2.86Å; S54-N56 PolarHBondContact O-N 3.49Å
55S33.8Very low33.9Very low109 Ų109139.2 Ų139.276%0.76278%0.777SS**  trans-58.1120.6163.4-59.40000108.8V53V53-S55 PolarHBondContact O-N 3.14Å
56N36.7Very low34Very low152 Ų152136.3 Ų136.381%0.81377%0.77SS**  trans-116.5127.5153.8-88.6-9.4000107.1S54S54-N56 PolarHBondContact O-N 3.49Å
57D30.9Very low34Very low142 Ų142133.6 Ų133.676%0.75977%0.768SS**  trans-53.1133.7-178.7-57.3-72000113.2
58V38.3Very low34.2Very low146 Ų146137.9 Ų137.989%0.88578%0.777SS**  trans-139121.8140-1700000107.7
59D31.1Very low34.1Very low135 Ų135138.5 Ų138.572%0.72278%0.776SS**  trans-63.1140.1-175.9-72.1-67.1000115.3
60V34.6Very low34.3Very low109 Ų109137.7 Ų137.766%0.66178%0.78SS**  trans62.2118.5134.6-175.90000119
61E34.2Very low34.3Very low193 Ų193139 Ų13990%0.90279%0.786SS**  -157.2135.9115.1-102.9178.7-17700111.2
62D33.9Very low34.1Very low153 Ų153132.5 Ų132.582%0.81878%0.78SS**  trans-64.7140.4-167.2-64.7-71.9000115.2
63A32.8Very low34.2Very low104 Ų104135.3 Ų135.386%0.8679%0.79SS**  trans-142.695.6156.400000110.1
64D32.1Very low34.1Very low139 Ų139137.4 Ų137.474%0.74380%0.796SS**  trans-50.3121165.7177.526.3000112.5
65L32Very low34.2Very low171 Ų171139.5 Ų139.590%0.89580%0.804SS**  trans-151.591152.7-76.3-174.7000109.4
66S35.5Very low34Very low98 Ų98141.8 Ų141.869%0.68581%0.808SS**  trans-59.8129.1153.859.50000110.1
67E38.3Very low33.7Very low182 Ų182138.1 Ų138.185%0.8581%0.806SS**  trans-168.8101134.1-106177.9-168.500110.6
68E37Very low33.7Very low187 Ų187136.4 Ų136.487%0.87481%0.811SS**  trans-70116.9160.6-81-108.7154.300109.6
69V33.9Very low33.3Very low125 Ų125132.4 Ų132.476%0.75880%0.8SS**  trans-141.497.9154.7-175.60000109.6
70A37.3Very low33.4Very low86 Ų86132.8 Ų132.871%0.71180%0.801SS**  trans-76133.5159.600000109.7A72A70-A72 PolarHBondContact O-N 3.09Å
71P35.8Very low33.3Very low126 Ų126139.1 Ų139.182%0.81881%0.813SS**  trans-87.511316930.3-26.7000110.3
72A32.1Very low33Very low86 Ų86139.5 Ų139.571%0.71181%0.812SS**  trans-77.8133.1158.100000109.7A70A70-A72 PolarHBondContact O-N 3.09Å
73L33Very low32.8Very low180 Ų180136.2 Ų136.294%0.94281%0.806SS**  trans-137124.8148.8-78.8-178000110.2
74L31.5Very low32.6Very low165 Ų165139 Ų13986%0.86481%0.807SS**  trans-84.1168.1-176.2-71.2162.6000112.4
75V33.6Very low32.4Very low141 Ų141138.8 Ų138.886%0.85581%0.81SS**  trans135.1125.2154.3167.30000107.8
76D29.5Very low32.2Very low158 Ų158138.9 Ų138.985%0.84581%0.811SS**  cis-160.8150.5-8.7-155.3-7.9000105.6
77G30.5Very low31.8Very low74 Ų74137.9 Ų137.976%0.76382%0.815SS**  trans-173.377.3-174.300000111.8
78A30Very low31.3Very low106 Ų106135.6 Ų135.688%0.87681%0.809SS**  trans-55.4142.2179.700000114.1
79G30.2Very low30.9Very low63 Ų63136.3 Ų136.365%0.64980%0.804SS**  trans155.696163.600000111
80L33.9Very low30.7Very low142 Ų142137.2 Ų137.274%0.74380%0.804SS**  36.3116.5116-91.975.2000112
81W31.8Very low30.1Very low243 Ų243141.4 Ų141.492%0.9281%0.809SS**  -155152.268.7-74.789.8000112.3
82K29.2Very low29.9Very low200 Ų200141.7 Ų141.787%0.8781%0.808SS**  trans-93.5148.4-179.4-141.8178.9-171.7177.80110.2
83A28.2Very low30Very low85 Ų85143.5 Ų143.570%0.70281%0.813SS**  trans73.7137.9150.500000116.2
84N28.4Very low29.7Very low163 Ų163137.9 Ų137.987%0.87280%0.798SS**  cis-157.3154.340.9-103.3-24.9000112.3
85V29Very low29.5Very low134 Ų134139 Ų13981%0.81280%0.804SS**  trans-103.5135.1161.9168.80000108.8
86L27.7Very low29.1Very low173 Ų173135.7 Ų135.791%0.90680%0.798SS**  trans-172.9118.7147-13374.9000106.4
87G26.8Very low29Very low76 Ų76137.4 Ų137.478%0.78480%0.801SS**  80.6145.182.100000110.4
88D27.9Very low28.7Very low134 Ų134142.3 Ų142.372%0.71781%0.805SS**  cis-172.7165.6-7.517925.6000104.7
89R29.4Very low28.5Very low202 Ų202144 Ų14476%0.76280%0.804SS**  trans76.6114.8162.4-75.7161174.7-161.2-9.3120.4
90L28.1Very low28.5Very low144 Ų144149 Ų14975%0.75481%0.81SS**  87.9113.473.1-107.1130.8000112.5
91E26.5Very low28.6Very low175 Ų175146.8 Ų146.882%0.81880%0.804SS**  160.5136.4113.3-72.9-136.2144.800111.7
92T30Very low28.4Very low132 Ų132143.6 Ų143.681%0.8180%0.8SS**  trans-118.9138.3168.8-50.50000107
93P35.6Very low28.5Very low124 Ų124139.9 Ų139.981%0.80580%0.799SS**  -143.7148.1107.828.6-9.5000111
94G25.9Very low28.6Very low62 Ų62139.5 Ų139.564%0.63980%0.804SS**  cis105.692.54100000109.7
95L27.6Very low28.8Very low187 Ų187141.1 Ų141.198%0.97981%0.806SS**  trans-165.1129.6151.9-13575.5000109.3
96G25.8Very low29Very low72 Ų72139.2 Ų139.274%0.74280%0.804SS**  trans-95.8177.4-166.600000116.1
97E26.1Very low29.4Very low194 Ų194135 Ų13591%0.90779%0.794SS**  trans-171.8147.8132.5-155.991.9106.700108.6
98Q24.6Very low30Very low178 Ų178140.6 Ų140.683%0.83280%0.8SS**  trans-70.4162-174.3-63.6-175.1-2000114.9
99V26.7Very low30.5Very low142 Ų142141.9 Ų141.986%0.86181%0.806SS**  168.8123.6122.6164.40000110.1
100E28.8Very low31.1Very low167 Ų167136.9 Ų136.978%0.7880%0.802SS**  trans-101.6165.9154.2-129-134.3127.400106.6
101P37Very low31.9Very low96 Ų96134.8 Ų134.862%0.62380%0.8SS**  cis-148.5-175.625.940.1-16.6000117.1
102E27.8Very low33Very low175 Ų175136.5 Ų136.582%0.81880%0.798SS**  trans69.3115.6155.3-55.6-158.2142.800121.4
103S31.6Very low34Very low122 Ų122137.3 Ų137.385%0.85380%0.797SS**  -178.5131.3108.265.90000109.9
104G30.4Very low34.7Very low78 Ų78139.6 Ų139.680%0.80480%0.795SS**  trans-73.5150.7-172.600000114.8
105E32.4Very low35.8Very low196 Ų196141.8 Ų141.892%0.91680%0.8SS**  trans-143.2116.8147.9-131.9173.6149.600108.3A107E105-A107 PolarHBondContact O-N 3.36Å
106A33.2Very low36.4Very low95 Ų95141.8 Ų141.879%0.78579%0.788SS**  trans-54.6127.4-177.300000110.2Q108A106-Q108 PolarHBondContact O-N 3.34Å
107A35.4Very low37Very low84 Ų84144 Ų14469%0.69479%0.79SS**  trans-48.2113.8168.700000109.5E105 L109E105-A107 PolarHBondContact O-N 3.36Å; A107-L109 PolarHBondContact O-N 3.15Å
108Q38.7Very low38Very low194 Ų194140.8 Ų140.891%0.90778%0.783SS**  trans-61.986.9162.4-89.1178.6-23.200107.8A106 S110A106-Q108 PolarHBondContact O-N 3.34Å; Q108-S110 PolarHBondContact O-N 3.18Å
109L39Very low39Very low161 Ų161139.6 Ų139.684%0.84378%0.778SS**  trans-67.288.4164.9-71171.9000107.1A107 S111A107-L109 PolarHBondContact O-N 3.15Å; L109-S111 PolarHBondContact O-N 3.35Å
110S41.8Very low39.7Very low97 Ų97142.4 Ų142.468%0.67878%0.778SS**  trans-56.4106.9168.3178.50000108.1Q108 R112Q108-S110 PolarHBondContact O-N 3.18Å; S110-R112 VanDerWaalsContact C-N 3.28Å; S110-R112 PolarHBondContact O-N 2.95Å
111S44.1Very low40.6Very low100 Ų100139 Ų13970%0.69977%0.769SS**  trans-61.691.6169.356.20000108.3L109 L113L109-S111 PolarHBondContact O-N 3.35Å; S111-L113 PolarHBondContact O-N 3.04Å
112R51Low40.7Very low210 Ų210142.6 Ų142.679%0.79277%0.774SS**  trans-69.188.3169.3-70.6-173.3-179.3-155.41.6107.7S110 F114S110-R112 VanDerWaalsContact C-N 3.28Å; S110-R112 PolarHBondContact O-N 2.95Å; R112-F114 PolarHBondContact O-N 3.35Å; R112-F114 VanDerWaalsContact O-N 3.14Å
113L50.9Low41.5Very low149 Ų149143 Ų14378%0.7877%0.774SS**  trans-58.7112162.3-75.2162000106.9S111 S115S111-L113 PolarHBondContact O-N 3.04Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.2Å
114F49.1Very low42.2Very low172 Ų172139 Ų13975%0.75475%0.745SS**  trans-69.388.8171.1-75.7-88.6000108.3R112 Y116R112-F114 PolarHBondContact O-N 3.35Å; R112-F114 VanDerWaalsContact O-N 3.14Å; F114-Y116 HydrophobicContact CB-CE2 4.32Å; F114-Y116 PolarHBondContact O-N 3.14Å
115S48.9Very low42.7Very low108 Ų108139.7 Ų139.776%0.75575%0.753SS**  trans-78.9105.6169.1-62.10000108.5L113L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.2Å
116Y40.3Very low43.3Very low187 Ų187132.1 Ų132.173%0.73373%0.727SS**  trans-74.4134.9165.2-64.7-84.1000108.8F114 V118F114-Y116 HydrophobicContact CB-CE2 4.32Å; F114-Y116 PolarHBondContact O-N 3.14Å; Y116-V118 PolarHBondContact O-N 3.09Å
117P40.1Very low44.1Very low118 Ų118132 Ų13277%0.76672%0.721SS**  trans-64112167.725.1-28.6000107.5E119P117-E119 VanDerWaalsContact C-N 3.31Å; P117-E119 PolarHBondContact O-N 2.87Å
118V46.6Very low45.5Very low128 Ų128132.7 Ų132.778%0.77672%0.72SS**  trans-63.9101.7163.3179.70000104.9Y116 K120Y116-V118 PolarHBondContact O-N 3.09Å; V118-K120 PolarHBondContact O-N 3.13Å; V118-K120 VanDerWaalsContact O-N 3.11Å
119E46.2Very low47.4Very low153 Ų153126.9 Ų126.972%0.71570%0.701SS**  trans-50.7125.2164.4-81.2-17316200106.5P117 V121P117-E119 VanDerWaalsContact C-N 3.31Å; P117-E119 PolarHBondContact O-N 2.87Å; E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 3.07Å
120K41Very low49.8Very low201 Ų201120.6 Ų120.687%0.87467%0.67SS**  trans-62.989.3-170.1-155.5177.9-169.31790107.9V118 K122V118-K120 PolarHBondContact O-N 3.13Å; V118-K120 VanDerWaalsContact O-N 3.11Å; K120-K122 PolarHBondContact O-N 2.62Å
121V47.5Very low52.2Low95 Ų95116.8 Ų116.858%0.57664%0.643SS**  trans-55.5115.7169.5178.30000105E119 K123E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 3.07Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 3.24Å
122K38.3Very low54.6Low171 Ų171115 Ų11574%0.74363%0.629SS**  trans-62.195-178.6-170.7-178-178.1-172.70106.9K120 S124 L177K120-K122 PolarHBondContact O-N 2.62Å; K122-S124 PolarHBondContact O-N 2.87Å; K122-L177 VanDerWaalsContact O-CD1 3.23Å; K122-L177 WeakPolarHBondContact O-CD1 3.47Å
123K45.5Very low56.5Low185 Ų185107.6 Ų107.680%0.80460%0.603SS**  trans-60.3110.5169.9-162.9171.4-174.1173.30106.2V121 G125V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 3.24Å; K123-G125 PolarHBondContact O-N 3.23Å
124S46.7Very low58.6Low37 Ų37106.8 Ų106.826%0.25960%0.595SS.*  trans-61.1133.7-178.344.20000109.5K122 G126K122-S124 PolarHBondContact O-N 2.87Å; S124-G126 PolarHBondContact O-N 3.43Å
125G40.2Very low60.8Low93 Ų93102.6 Ų102.696%0.95958%0.578SS**  trans-84.539.2176.800000113.3K123K123-G125 PolarHBondContact O-N 3.23Å
126G45.5Very low63.1Low36 Ų3699.5 Ų99.537%0.37156%0.555SS.*SBendtrans-86.8143.6162.200000108.5S124 S128S124-G126 PolarHBondContact O-N 3.43Å; G126-S128 PolarHBondContact O-N 3.09Å
127S48.8Very low65.8Low94 Ų9491.4 Ų91.466%0.65753%0.526SS*.  trans-52.8111.4179.254.10000109.9S129S127-S129 PolarHBondContact O-N 3.11Å
128S64.6Low68.5Low97 Ų9789.1 Ų89.168%0.67850%0.503SS*.  trans-72.117.6-173.463.20000113.9G126 Y142G126-S128 PolarHBondContact O-N 3.09Å; S128-Y142 PolarHBondContact O-OH 3.21Å
129S79.9Confident70.9Confident73 Ų7383.2 Ų83.251%0.5147%0.467SS..SBendtrans-93.8134.7179.652.60000109.2S127S127-S129 PolarHBondContact O-N 3.11Å
130P88.6Confident73.4Confident28 Ų2876 Ų7618%0.18243%0.433CS..PPolyproline II helixtrans-54.5147.2173.8-26.735.7000112Y142 E210 F215P130-Y142 HydrophobicContact CB-CD1 4.42Å; P130-Y142 HydrophobicContact CB-CE1 3.97Å; P130-Y142 HydrophobicContact CG-CE1 3.96Å; P130-E210 WeakPolarHBondContact CG-OE1 3.33Å; P130-F215 HydrophobicContact CG-CD1 4.07Å; P130-F215 HydrophobicContact CG-CD2 3.63Å; P130-F215 HydrophobicContact CG-CE1 4.03Å; P130-F215 HydrophobicContact CG-CE2 3.58Å; P130-F215 HydrophobicContact CG-CG 3.88Å; P130-F215 HydrophobicContact CG-CZ 3.79Å
131P93.2Very high76.1Confident18 Ų1866.7 Ų66.712%0.11739%0.392CS..PPolyproline II helixtrans-57.4163.4172-23.933.9000112.6H133 R138 Y142P131-H133 PolarHBondContact O-N 3.2Å; P131-R138 HydrophobicContact CB-CB 4.43Å; P131-R138 HydrophobicContact CB-CG 4.24Å; P131-R138 HydrophobicContact CG-CG 4.07Å; P131-Y142 VanDerWaalsContact CD-CG 3.42Å; P131-Y142 HydrophobicContact CG-CD2 4.25Å; P131-Y142 HydrophobicContact CG-CG 4Å
132P93.1Very high78.5Confident62 Ų6263.2 Ų63.240%0.40337%0.369SS..PPolyproline II helixtrans-56.7131.7169.1-21.132.9000110.8Q134 E135P132-Q134 PolarHBondContact O-N 2.99Å; P132-E135 WeakPolarHBondContact O-CB 3.45Å; P132-E135 PolarHBondContact O-N 3.2Å
133H91.6Very high81.2Confident54 Ų5455.2 Ų55.225%0.2533%0.334CS..THydrogen-bonded Turntrans-58.6-21.4-177.269.1-90.4000114P131 E135 W283P131-H133 PolarHBondContact O-N 3.2Å; H133-E135 PolarHBondContact O-N 3.17Å; H133-W283 HydrophobicContact CB-CB 4.21Å; H133-W283 HydrophobicContact CB-CE3 4.28Å; H133-W283 AromaticContact CD2-CD1 3.84Å; H133-W283 AromaticContact CD2-CD2 3.88Å; H133-W283 AromaticContact CD2-CG 3.53Å; H133-W283 AromaticContact CE1-CD2 3.81Å; H133-W283 AromaticContact CE1-CE2 3.74Å; H133-W283 AromaticContact CG-CD2 3.85Å; H133-W283 AromaticContact CG-CE3 3.95Å; H133-W283 AromaticContact CG-CG 3.89Å; H133-W283 AromaticContact ND1-CD2 3.81Å; H133-W283 AromaticContact ND1-CE3 3.81Å; H133-W283 AromaticContact NE2-CD1 3.68Å; H133-W283 AromaticContact NE2-CD2 3.89Å; H133-W283 AromaticContact NE2-CE2 3.92Å; H133-W283 AromaticContact NE2-CG 3.76Å; H133-W283 AromaticContact NE2-NE1 3.77Å
134Q94.4Very high83.7Confident133 Ų13346.4 Ų46.462%0.62130%0.296SS*.THydrogen-bonded Turntrans-66.5-24.5174.1-61.387.3-3.600112.5P132 T136P132-Q134 PolarHBondContact O-N 2.99Å; Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.16Å; Q134-T136 VanDerWaalsContact O-N 3.14Å
135E96Very high86.1Confident83 Ų8344.8 Ų44.839%0.38829%0.285SS..  trans-87.558177.6-61.6177.1-159.500110.6P132 H133 A137 R138 T139P132-E135 WeakPolarHBondContact O-CB 3.45Å; P132-E135 PolarHBondContact O-N 3.2Å; H133-E135 PolarHBondContact O-N 3.17Å; E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 2.91Å; E135-R138 HydrophobicContact CB-CB 3.85Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.27Å; E135-R138 VanDerWaalsContact O-CB 3.28Å; E135-R138 WeakPolarHBondContact O-CB 3.46Å; E135-R138 PolarHBondContact O-N 3.39Å; E135-R138 WeakPolarHBondContact OE2-CD 3.4Å; E135-R138 IonicContact OE2-CZ 3.71Å; E135-R138 IonicContact OE2-NE 3.86Å; E135-R138 IonicContact OE2-NH1 2.88Å; E135-R138 PolarHBondContact OE2-NH1 3.35Å; E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.12Å
136T96.9Very high88.7Confident43 Ų4343.8 Ų43.826%0.26425%0.252SS..Hα-helixtrans-50.7-45.8-170.5560000114.1Q134 R138 T139 A140 L280 I290Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.16Å; Q134-T136 VanDerWaalsContact O-N 3.14Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.08Å; T136-T139 PolarHBondContact O-N 2.88Å; T136-A140 WeakPolarHBondContact O-CB 3.34Å; T136-A140 PolarHBondContact O-N 3.11Å; T136-L280 HydrophobicContact CG2-CD2 4.43Å; T136-L280 WeakPolarHBondContact O-CD2 3.46Å; T136-I290 WeakPolarHBondContact O-CD1 3.34Å
137A97.8Very high91.2Very high17 Ų1742.8 Ų42.814%0.1424%0.239CC..Hα-helixtrans-62.1-37.9176.500000112.7E135 R141 I290 D294 A298E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 2.91Å; A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 2.67Å; A137-I290 HydrophobicContact CB-CG2 3.92Å; A137-D294 HydrophobicContact CB-CB 4.13Å; A137-A298 HydrophobicContact CB-CB 3.96Å
138R97.1Very high93.4Very high71 Ų7141.6 Ų41.627%0.26823%0.226SC..Hα-helixtrans-70-43176.6-160.9-173.7174.8-164.6-3.1111.1P131 E135 T136 R141 Y142 T299 F301P131-R138 HydrophobicContact CB-CB 4.43Å; P131-R138 HydrophobicContact CB-CG 4.24Å; P131-R138 HydrophobicContact CG-CG 4.07Å; E135-R138 HydrophobicContact CB-CB 3.85Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.27Å; E135-R138 VanDerWaalsContact O-CB 3.28Å; E135-R138 WeakPolarHBondContact O-CB 3.46Å; E135-R138 PolarHBondContact O-N 3.39Å; E135-R138 WeakPolarHBondContact OE2-CD 3.4Å; E135-R138 IonicContact OE2-CZ 3.71Å; E135-R138 IonicContact OE2-NE 3.86Å; E135-R138 IonicContact OE2-NH1 2.88Å; E135-R138 PolarHBondContact OE2-NH1 3.35Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.08Å; R138-R141 PolarHBondContact O-N 3.44Å; R138-Y142 VanDerWaalsContact O-CB 3.31Å; R138-Y142 WeakPolarHBondContact O-CB 3.41Å; R138-Y142 PolarHBondContact O-N 3.08Å; R138-T299 WeakPolarHBondContact CG-O 3.11Å; R138-F301 PolarHBondContact NE-O 3.43Å; R138-F301 VanDerWaalsContact NH2-C 3.29Å; R138-F301 PolarHBondContact NH2-O 3.32Å; R138-F301 PolarHBondContact NH2-OXT 2.84Å; R138-F301 VanDerWaalsContact NH2-OXT 3.11Å
139T96.8Very high95Very high4 Ų441.7 Ų41.73%0.02521%0.211CC..Hα-helixtrans-59.6-45.5174.5-55.80000111.2E135 T136 R141 Y142 I143 L280 D282E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.12Å; T136-T139 PolarHBondContact O-N 2.88Å; T139-R141 PolarHBondContact O-N 3Å; T139-Y142 WeakPolarHBondContact O-CB 3.34Å; T139-Y142 PolarHBondContact O-N 3.34Å; T139-I143 HydrophobicContact CG2-CD1 4.02Å; T139-I143 WeakPolarHBondContact O-CG1 3.21Å; T139-I143 PolarHBondContact O-N 2.89Å; T139-L280 HydrophobicContact CG2-CD1 4.34Å; T139-L280 HydrophobicContact CG2-CD2 4.17Å; T139-D282 HydrophobicContact CG2-CB 4.13Å
140A98Very high95.9Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-60.4-45.1175.600000112T136 I143 A144 L231 V278 I290 Y295T136-A140 WeakPolarHBondContact O-CB 3.34Å; T136-A140 PolarHBondContact O-N 3.11Å; A140-I143 PolarHBondContact O-N 2.71Å; A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.71Å; A140-L231 HydrophobicContact CB-CD1 3.74Å; A140-L231 HydrophobicContact CB-CD2 4.39Å; A140-L231 WeakPolarHBondContact O-CD2 3.11Å; A140-V278 HydrophobicContact CB-CG1 4.1Å; A140-I290 HydrophobicContact CB-CD1 3.58Å; A140-Y295 HydrophobicContact CB-CD2 4.01Å; A140-Y295 HydrophobicContact CB-CE2 4.16Å
141R97.9Very high96.4Very high6 Ų640.8 Ų40.82%0.02320%0.197CC..Hα-helixtrans-65-38.9176.1-74.1-65.2-62.5-77.6-4112.8A137 R138 T139 A144 H145 S180 G182 Y295 F296 A298 P300A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 2.67Å; R138-R141 PolarHBondContact O-N 3.44Å; T139-R141 PolarHBondContact O-N 3Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-H145 VanDerWaalsContact O-CB 3.23Å; R141-H145 WeakPolarHBondContact O-CB 3.28Å; R141-H145 PolarHBondContact O-N 3.01Å; R141-S180 PolarHBondContact NH2-O 3.36Å; R141-S180 PolarHBondContact NH2-OG 2.98Å; R141-G182 VanDerWaalsContact NE-CA 3.28Å; R141-Y295 VanDerWaalsContact CD-O 3.29Å; R141-Y295 WeakPolarHBondContact CD-O 3.31Å; R141-Y295 HydrophobicContact CG-CD2 3.94Å; R141-Y295 HydrophobicContact CG-CE2 3.89Å; R141-Y295 HydrophobicContact CG-CG 4.46Å; R141-Y295 VanDerWaalsContact CG-O 3.23Å; R141-Y295 WeakPolarHBondContact CG-O 3.25Å; R141-Y295 PolarHBondContact NH1-O 2.75Å; R141-F296 PolarHBondContact NH1-O 3.04Å; R141-A298 HydrophobicContact CG-CB 4.04Å; R141-A298 PolarHBondContact NH1-O 3.49Å; R141-P300 HydrophobicContact CB-CB 4.3Å
142Y96.8Very high96.6Very high22 Ų2240 Ų409%0.08619%0.191CC..Hα-helixtrans-59-52174.1171.7-92000111.1S128 P130 P131 R138 T139 A144 H145 Y146S128-Y142 PolarHBondContact O-OH 3.21Å; P130-Y142 HydrophobicContact CB-CD1 4.42Å; P130-Y142 HydrophobicContact CB-CE1 3.97Å; P130-Y142 HydrophobicContact CG-CE1 3.96Å; P131-Y142 VanDerWaalsContact CD-CG 3.42Å; P131-Y142 HydrophobicContact CG-CD2 4.25Å; P131-Y142 HydrophobicContact CG-CG 4Å; R138-Y142 VanDerWaalsContact O-CB 3.31Å; R138-Y142 WeakPolarHBondContact O-CB 3.41Å; R138-Y142 PolarHBondContact O-N 3.08Å; T139-Y142 WeakPolarHBondContact O-CB 3.34Å; T139-Y142 PolarHBondContact O-N 3.34Å; Y142-A144 PolarHBondContact O-N 3.31Å; Y142-H145 PolarHBondContact O-N 3.09Å; Y142-Y146 AromaticContact CD2-CD2 3.36Å; Y142-Y146 HydrophobicContact CD2-CD2 3.36Å; Y142-Y146 AromaticContact CD2-CE2 3.39Å; Y142-Y146 HydrophobicContact CD2-CE2 3.39Å; Y142-Y146 AromaticContact CE2-CD2 3.36Å; Y142-Y146 HydrophobicContact CE2-CD2 3.36Å; Y142-Y146 AromaticContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CE2 3.4Å; Y142-Y146 VanDerWaalsContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CG 4.2Å; Y142-Y146 AromaticContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CE2 4.38Å; Y142-Y146 AromaticContact CZ-CD2 3.98Å; Y142-Y146 VanDerWaalsContact O-CD2 3.31Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.4Å; Y142-Y146 PolarHBondContact O-N 2.94Å
143I96.8Very high96.9Very high3 Ų338.6 Ų38.62%0.01519%0.185CC..Hα-helixtrans-60.2-47.2179.5-64.4165.7000110.4T139 A140 H145 S147 F208 E210 A229 L231 L280T139-I143 HydrophobicContact CG2-CD1 4.02Å; T139-I143 WeakPolarHBondContact O-CG1 3.21Å; T139-I143 PolarHBondContact O-N 2.89Å; A140-I143 PolarHBondContact O-N 2.71Å; I143-H145 VanDerWaalsContact C-N 3.31Å; I143-H145 PolarHBondContact O-N 3.07Å; I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.37Å; I143-S147 PolarHBondContact O-N 2.83Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.4Å; I143-F208 HydrophobicContact CG2-CB 3.6Å; I143-F208 HydrophobicContact CG2-CG 4.31Å; I143-E210 HydrophobicContact CD1-CG 4.26Å; I143-E210 HydrophobicContact CG1-CG 3.99Å; I143-A229 HydrophobicContact CD1-CB 3.6Å; I143-L231 HydrophobicContact CB-CB 4.26Å; I143-L231 HydrophobicContact CB-CD2 4.11Å; I143-L231 HydrophobicContact CD1-CB 4.23Å; I143-L231 HydrophobicContact CG2-CB 3.79Å; I143-L231 HydrophobicContact CG2-CD2 4.13Å; I143-L280 HydrophobicContact CD1-CD1 3.77Å
144A97.5Very high97.2Very high0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-59.3-40.1178.200000112.9A140 R141 Y142 I184 L231A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.71Å; R141-A144 PolarHBondContact O-N 3.36Å; Y142-A144 PolarHBondContact O-N 3.31Å; A144-I184 HydrophobicContact CB-CD1 4.02Å; A144-L231 HydrophobicContact CB-CD2 3.97Å
145H97.2Very high97.4Very high4 Ų432.9 Ų32.92%0.01916%0.16CC..Hα-helixtrans-75.2-39.4-176.6-176.254.8000113.6R141 Y142 I143 D174 P176 L177 P300 F301R141-H145 VanDerWaalsContact O-CB 3.23Å; R141-H145 WeakPolarHBondContact O-CB 3.28Å; R141-H145 PolarHBondContact O-N 3.01Å; Y142-H145 PolarHBondContact O-N 3.09Å; I143-H145 VanDerWaalsContact C-N 3.31Å; I143-H145 PolarHBondContact O-N 3.07Å; H145-D174 WeakPolarHBondContact CA-OD1 3.33Å; H145-D174 IonicContact CE1-OD1 3.76Å; H145-D174 IonicContact CG-OD1 3.67Å; H145-D174 IonicContact ND1-OD1 2.69Å; H145-D174 PolarHBondContact ND1-OD1 2.97Å; H145-D174 IonicContact ND1-OD2 3.12Å; H145-P176 PolarHBondContact CE1-O 3.26Å; H145-P176 VanDerWaalsContact CE1-O 3.3Å; H145-L177 PolarHBondContact NE2-O 3.05Å; H145-P300 HydrophobicContact CB-CB 3.72Å; H145-P300 HydrophobicContact CB-CG 3.97Å; H145-F301 AromaticContact CD2-CE1 3.8Å; H145-F301 AromaticContact NE2-CE1 3.5Å; H145-F301 WeakPolarHBondContact NE2-CE1 3.4Å; H145-F301 AromaticContact NE2-CZ 3.6Å
146Y95.1Very high97.5Very high72 Ų7229 Ų2928%0.28214%0.142SC..Hα-helixtrans-90-1.8-177-73.9-79.8000113.8Y142Y142-Y146 AromaticContact CD2-CD2 3.36Å; Y142-Y146 HydrophobicContact CD2-CD2 3.36Å; Y142-Y146 AromaticContact CD2-CE2 3.39Å; Y142-Y146 HydrophobicContact CD2-CE2 3.39Å; Y142-Y146 AromaticContact CE2-CD2 3.36Å; Y142-Y146 HydrophobicContact CE2-CD2 3.36Å; Y142-Y146 AromaticContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CE2 3.4Å; Y142-Y146 VanDerWaalsContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CG 4.2Å; Y142-Y146 AromaticContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CE2 4.38Å; Y142-Y146 AromaticContact CZ-CD2 3.98Å; Y142-Y146 VanDerWaalsContact O-CD2 3.31Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.4Å; Y142-Y146 PolarHBondContact O-N 2.94Å
147S96.2Very high97.6Very high14 Ų1428.6 Ų28.610%0.09814%0.139CC..  trans-91.3118.3173.2-57.70000110.7I143I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.37Å; I143-S147 PolarHBondContact O-N 2.83Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.4Å
148D96.8Very high97.5Very high69 Ų6930.6 Ų30.637%0.36915%0.146SC..SBendtrans-81.4-16.8177.5-72.2-43.7000112.3S171 V172 R255 H256D148-S171 WeakPolarHBondContact O-CA 3.47Å; D148-V172 PolarHBondContact O-N 2.92Å; D148-R255 WeakPolarHBondContact OD1-CD 3.42Å; D148-R255 IonicContact OD1-NE 3.79Å; D148-R255 PolarHBondContact OD1-NE 2.9Å; D148-R255 VanDerWaalsContact OD1-NE 3.12Å; D148-H256 PolarHBondContact O-CE1 2.82Å; D148-H256 PolarHBondContact O-NE2 2.72Å
149W98.1Very high97.5Very high99 Ų9933.8 Ų33.838%0.37517%0.168SC..EExtended strand (participates in β ladder)trans-148.7170.1178.863-81.8000110.6I169 F170 F208 E212W149-I169 HydrophobicContact CD2-CG2 4.4Å; W149-I169 HydrophobicContact CE3-CG2 3.75Å; W149-I169 HydrophobicContact CZ3-CG1 4.48Å; W149-I169 HydrophobicContact CZ3-CG2 4.36Å; W149-F170 CarbonylContact C-O 3.58Å; W149-F170 WeakPolarHBondContact CA-O 3.48Å; W149-F170 WeakPolarHBondContact CB-O 3.29Å; W149-F208 WeakPolarHBondContact O-CD1 3.39Å; W149-F208 VanDerWaalsContact O-CE1 3.32Å; W149-F208 WeakPolarHBondContact O-CE1 3.21Å; W149-E212 VanDerWaalsContact CE2-CD 3.49Å; W149-E212 HydrophobicContact CH2-CG 3.66Å; W149-E212 VanDerWaalsContact CH2-OE1 3.28Å; W149-E212 WeakPolarHBondContact CH2-OE1 3.45Å; W149-E212 HydrophobicContact CZ2-CB 3.98Å; W149-E212 HydrophobicContact CZ2-CG 3.37Å; W149-E212 WeakPolarHBondContact CZ2-OE2 3.42Å; W149-E212 WeakPolarHBondContact CZ3-OE1 3.46Å; W149-E212 PolarHBondContact NE1-OE2 2.85Å
150G98.1Very high97.6Very high0 Ų043.5 Ų43.50%021%0.21CC..EExtended strand (participates in β ladder)trans-162.317417300000112.6F170G150-F170 PolarHBondContact N-O 2.87Å; G150-F170 PolarHBondContact O-N 2.92Å
151H98.2Very high97.5Very high83 Ų8346.3 Ų46.338%0.38423%0.225SC..EExtended strand (participates in β ladder)trans-96.6108.1-179.2-175.8-81.2000110.9G167 N168 L206 T207H151-G167 WeakPolarHBondContact CE1-CA 3.37Å; H151-G167 WeakPolarHBondContact NE2-CA 3.38Å; H151-N168 CarbonylContact C-O 3.54Å; H151-L206 WeakPolarHBondContact O-CA 3.5Å; H151-T207 PolarHBondContact N-O 3.13Å; H151-T207 PolarHBondContact O-N 3.26Å
152L98.6Very high97.5Very high1 Ų153.8 Ų53.81%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-92.4122.8178.9-169.268.7000110.1G167 N168 F170 F186 T194 L198 A204 L206 M273L152-G167 WeakPolarHBondContact O-CA 3.42Å; L152-N168 PolarHBondContact N-O 2.95Å; L152-N168 PolarHBondContact O-N 3Å; L152-F170 HydrophobicContact CB-CD2 3.73Å; L152-F170 HydrophobicContact CB-CE2 4.35Å; L152-F170 HydrophobicContact CB-CG 4.49Å; L152-F170 HydrophobicContact CD2-CD2 3.82Å; L152-F170 HydrophobicContact CD2-CE2 3.97Å; L152-F170 HydrophobicContact CD2-CG 4.3Å; L152-F170 HydrophobicContact CG-CD2 4.43Å; L152-F186 HydrophobicContact CD1-CE1 4.48Å; L152-F186 HydrophobicContact CD1-CZ 4.5Å; L152-F186 HydrophobicContact CD2-CE1 4.4Å; L152-T194 HydrophobicContact CD2-CG2 3.97Å; L152-L198 HydrophobicContact CD2-CD1 4.5Å; L152-A204 HydrophobicContact CD1-CB 3.81Å; L152-A204 HydrophobicContact CG-CB 4.32Å; L152-L206 HydrophobicContact CB-CD1 4.21Å; L152-L206 HydrophobicContact CD1-CB 3.96Å; L152-L206 HydrophobicContact CD1-CD1 4.27Å; L152-M273 HydrophobicContact CD1-CE 3.85Å
153A98.6Very high97.6Very high33 Ų3355.2 Ų55.227%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-102.7126.9175.800000110.9F166 A204 S205A153-F166 CarbonylContact C-O 3.58Å; A153-F166 VanDerWaalsContact CA-O 3.32Å; A153-F166 WeakPolarHBondContact CA-O 3.42Å; A153-A204 VanDerWaalsContact O-CA 3.3Å; A153-A204 WeakPolarHBondContact O-CA 3.36Å; A153-A204 WeakPolarHBondContact O-CB 3.32Å; A153-S205 PolarHBondContact N-O 2.82Å; A153-S205 PolarHBondContact O-N 2.88Å; A153-S205 VanDerWaalsContact O-N 3.16Å
154T98.6Very high97.6Very high3 Ų358.6 Ų58.62%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-126.3171.6176.754.60000111.3P165 F166 T194 D197 L198 A204T154-P165 CarbonylContact O-C 3.49Å; T154-P165 WeakPolarHBondContact O-CA 3.32Å; T154-F166 PolarHBondContact N-O 3.14Å; T154-F166 PolarHBondContact O-N 3.47Å; T154-T194 HydrophobicContact CG2-CG2 3.56Å; T154-D197 PolarHBondContact OG1-OD2 3.01Å; T154-D197 VanDerWaalsContact OG1-OD2 3.13Å; T154-L198 HydrophobicContact CG2-CD2 3.6Å; T154-L198 HydrophobicContact CG2-CG 3.94Å; T154-A204 HydrophobicContact CG2-CB 4.1Å
155I98.6Very high97.7Very high63 Ų6363.3 Ų63.332%0.32333%0.325SS..EExtended strand (participates in β ladder)trans-94.9118.9170.7-57.5-54.8000108.9D197I155-D197 WeakPolarHBondContact O-CB 3.39Å
156S98.4Very high97.7Very high3 Ų365.8 Ų65.82%0.02134%0.336CS..  trans-71.4143.1-170.5-156.60000113.9Q158 I161 R162 G163 V164 D197S156-Q158 PolarHBondContact OG-N 3.28Å; S156-Q158 PolarHBondContact OG-NE2 3.03Å; S156-I161 WeakPolarHBondContact CB-O 3.42Å; S156-R162 CarbonylContact O-C 3.47Å; S156-R162 VanDerWaalsContact O-CA 3.32Å; S156-R162 WeakPolarHBondContact O-CA 3.44Å; S156-G163 PolarHBondContact O-N 2.93Å; S156-V164 WeakPolarHBondContact CB-O 3.35Å; S156-V164 PolarHBondContact N-O 3.41Å; S156-D197 WeakPolarHBondContact CA-OD1 3.44Å; S156-D197 WeakPolarHBondContact CA-OD2 3.37Å
157T98.1Very high97.8Very high33 Ų3363.9 Ų63.920%0.20234%0.338CS..  trans-105.2-9.4173.757.60000112.6R162 D197T157-R162 PolarHBondContact O-NE 2.95Å; T157-R162 PolarHBondContact O-NH2 3.18Å; T157-D197 WeakPolarHBondContact CB-OD1 3.02Å; T157-D197 PolarHBondContact N-OD1 2.62Å; T157-D197 PolarHBondContact OG1-OD1 3.33Å
158Q96.6Very high97.9Very high60 Ų6065.4 Ų65.428%0.2835%0.345SS..SBendtrans-58.1139.8178.1-63.117965.300111.4S156 K160 I161 R162 N193S156-Q158 PolarHBondContact OG-N 3.28Å; S156-Q158 PolarHBondContact OG-NE2 3.03Å; Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.89Å; Q158-K160 VanDerWaalsContact O-N 3.14Å; Q158-I161 HydrophobicContact CB-CD1 4.45Å; Q158-I161 HydrophobicContact CB-CG1 3.84Å; Q158-I161 CarbonylContact O-C 3.54Å; Q158-I161 PolarHBondContact O-N 2.89Å; Q158-I161 VanDerWaalsContact O-N 3.11Å; Q158-R162 WeakPolarHBondContact O-CA 3.44Å; Q158-R162 PolarHBondContact O-N 2.8Å; Q158-N193 HydrophobicContact CG-CB 4.49Å
159D96.9Very high98Very high138 Ų13867.2 Ų67.274%0.73835%0.354SS*.THydrogen-bonded Turntrans-56.2-40.1-167.1-69.1-33.2000114.6R162D159-R162 IonicContact OD1-CZ 2.74Å; D159-R162 IonicContact OD1-NH2 3.59Å; D159-R162 PolarHBondContact OD1-NH2 3.47Å
160K97.6Very high98Very high207 Ų20763.1 Ų63.190%0.934%0.339SS*.THydrogen-bonded Turntrans-80.4-21-176.8-67.6-176.3-179.8176.50114.3Q158Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.89Å; Q158-K160 VanDerWaalsContact O-N 3.14Å
161I97.4Very high98Very high59 Ų5965.2 Ų65.230%0.30335%0.353SS..SBendtrans-129.825.2-173.259.8165.6000112S156 Q158 G163 V164 F166S156-I161 WeakPolarHBondContact CB-O 3.42Å; Q158-I161 HydrophobicContact CB-CD1 4.45Å; Q158-I161 HydrophobicContact CB-CG1 3.84Å; Q158-I161 CarbonylContact O-C 3.54Å; Q158-I161 PolarHBondContact O-N 2.89Å; Q158-I161 VanDerWaalsContact O-N 3.11Å; I161-G163 PolarHBondContact O-N 2.98Å; I161-V164 HydrophobicContact CB-CB 4.24Å; I161-V164 HydrophobicContact CB-CG2 4.39Å; I161-V164 VanDerWaalsContact O-CB 3.29Å; I161-V164 WeakPolarHBondContact O-CB 3.49Å; I161-V164 WeakPolarHBondContact O-CG2 3.23Å; I161-V164 PolarHBondContact O-N 3.48Å; I161-F166 HydrophobicContact CD1-CD2 4.06Å
162R98.1Very high98Very high164 Ų16461.2 Ų61.262%0.61934%0.335SS*.THydrogen-bonded Turntrans-57.7126.8-178.1-175.9172.4-68.7154.57.6110.9S156 T157 Q158 D159 V164S156-R162 CarbonylContact O-C 3.47Å; S156-R162 VanDerWaalsContact O-CA 3.32Å; S156-R162 WeakPolarHBondContact O-CA 3.44Å; T157-R162 PolarHBondContact O-NE 2.95Å; T157-R162 PolarHBondContact O-NH2 3.18Å; Q158-R162 WeakPolarHBondContact O-CA 3.44Å; Q158-R162 PolarHBondContact O-N 2.8Å; D159-R162 IonicContact OD1-CZ 2.74Å; D159-R162 IonicContact OD1-NH2 3.59Å; D159-R162 PolarHBondContact OD1-NH2 3.47Å; R162-V164 VanDerWaalsContact C-N 3.3Å
163G97.6Very high98Very high51 Ų5161.3 Ų61.353%0.52634%0.335SS..THydrogen-bonded Turntrans83.3-4-177.800000115S156 I161S156-G163 PolarHBondContact O-N 2.93Å; I161-G163 PolarHBondContact O-N 2.98Å
164V98.3Very high98Very high75 Ų7559.8 Ų59.846%0.45532%0.322SS..SBendtrans-89.2141.6177.3-1750000109.6S156 I161 R162 F166S156-V164 WeakPolarHBondContact CB-O 3.35Å; S156-V164 PolarHBondContact N-O 3.41Å; I161-V164 HydrophobicContact CB-CB 4.24Å; I161-V164 HydrophobicContact CB-CG2 4.39Å; I161-V164 VanDerWaalsContact O-CB 3.29Å; I161-V164 WeakPolarHBondContact O-CB 3.49Å; I161-V164 WeakPolarHBondContact O-CG2 3.23Å; I161-V164 PolarHBondContact O-N 3.48Å; R162-V164 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.28Å
165P98.1Very high97.9Very high98 Ų9859.6 Ų59.664%0.63632%0.322SS*.EExtended strand (participates in β ladder)trans-57.8132.6172.7-24.234.4000111.6T154T154-P165 CarbonylContact O-C 3.49Å; T154-P165 WeakPolarHBondContact O-CA 3.32Å
166F98.1Very high97.8Very high57 Ų5757.1 Ų57.125%0.2531%0.309CS..EExtended strand (participates in β ladder)trans-123.9130.7176.6179.8-108.3000109.7A153 T154 I161 V164 N168A153-F166 CarbonylContact C-O 3.58Å; A153-F166 VanDerWaalsContact CA-O 3.32Å; A153-F166 WeakPolarHBondContact CA-O 3.42Å; T154-F166 PolarHBondContact N-O 3.14Å; T154-F166 PolarHBondContact O-N 3.47Å; I161-F166 HydrophobicContact CD1-CD2 4.06Å; V164-F166 PolarHBondContact O-N 3.28Å; F166-N168 HydrophobicContact CD1-CB 4.44Å; F166-N168 HydrophobicContact CE1-CB 3.86Å
167G97.8Very high97.5Very high32 Ų3259 Ų5933%0.3332%0.319SS..EExtended strand (participates in β ladder)trans-104.7132.7178.900000111.3H151 L152H151-G167 WeakPolarHBondContact CE1-CA 3.37Å; H151-G167 WeakPolarHBondContact NE2-CA 3.38Å; L152-G167 WeakPolarHBondContact O-CA 3.42Å
168N98Very high97.2Very high46 Ų4663.8 Ų63.825%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-139.8158.2177.2-16612.3000111H151 L152 F166 F170 T194H151-N168 CarbonylContact C-O 3.54Å; L152-N168 PolarHBondContact N-O 2.95Å; L152-N168 PolarHBondContact O-N 3Å; F166-N168 HydrophobicContact CD1-CB 4.44Å; F166-N168 HydrophobicContact CE1-CB 3.86Å; N168-F170 HydrophobicContact CB-CD2 4.44Å; N168-F170 HydrophobicContact CB-CE2 3.95Å; N168-T194 WeakPolarHBondContact CB-OG1 3.28Å; N168-T194 PolarHBondContact ND2-OG1 3.43Å
169I97.8Very high97Very high106 Ų10664.9 Ų64.954%0.54435%0.351SS..EExtended strand (participates in β ladder)trans-94.8128.9-178.3-64.5170.8000109W149W149-I169 HydrophobicContact CD2-CG2 4.4Å; W149-I169 HydrophobicContact CE3-CG2 3.75Å; W149-I169 HydrophobicContact CZ3-CG1 4.48Å; W149-I169 HydrophobicContact CZ3-CG2 4.36Å
170F98.3Very high97Very high14 Ų1459 Ų596%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-126133.6174.8-81.9-95.1000110.7W149 G150 L152 N168 V172 F186 V188 T194W149-F170 CarbonylContact C-O 3.58Å; W149-F170 WeakPolarHBondContact CA-O 3.48Å; W149-F170 WeakPolarHBondContact CB-O 3.29Å; G150-F170 PolarHBondContact N-O 2.87Å; G150-F170 PolarHBondContact O-N 2.92Å; L152-F170 HydrophobicContact CB-CD2 3.73Å; L152-F170 HydrophobicContact CB-CE2 4.35Å; L152-F170 HydrophobicContact CB-CG 4.49Å; L152-F170 HydrophobicContact CD2-CD2 3.82Å; L152-F170 HydrophobicContact CD2-CE2 3.97Å; L152-F170 HydrophobicContact CD2-CG 4.3Å; L152-F170 HydrophobicContact CG-CD2 4.43Å; N168-F170 HydrophobicContact CB-CD2 4.44Å; N168-F170 HydrophobicContact CB-CE2 3.95Å; F170-V172 HydrophobicContact CB-CG1 4.43Å; F170-F186 HydrophobicContact CB-CD1 3.97Å; F170-F186 HydrophobicContact CB-CE1 4.15Å; F170-F186 HydrophobicContact CD1-CD1 4.19Å; F170-F186 HydrophobicContact CG-CD1 4.27Å; F170-V188 HydrophobicContact CD1-CG1 3.88Å; F170-V188 HydrophobicContact CE1-CB 4.42Å; F170-V188 HydrophobicContact CE1-CG1 3.58Å; F170-T194 HydrophobicContact CE2-CG2 3.61Å; F170-T194 HydrophobicContact CZ-CG2 3.85Å
171S98.4Very high97Very high43 Ų4351.4 Ų51.430%0.30129%0.292SS..EExtended strand (participates in β ladder)trans-68.8137.6161.7-66.20000109.7D148D148-S171 WeakPolarHBondContact O-CA 3.47Å
172V98.4Very high96.9Very high0 Ų048.6 Ų48.60%028%0.278CS..EExtended strand (participates in β ladder)trans-137.9167.7-175.5-58.70000112.1D148 F170 I184 Y185 F186 L206 F208 H256D148-V172 PolarHBondContact O-N 2.92Å; F170-V172 HydrophobicContact CB-CG1 4.43Å; V172-I184 HydrophobicContact CB-CG2 3.64Å; V172-I184 HydrophobicContact CG1-CG2 3.84Å; V172-I184 HydrophobicContact CG2-CG2 4.24Å; V172-Y185 WeakPolarHBondContact CA-O 3.37Å; V172-F186 HydrophobicContact CG1-CD1 3.71Å; V172-F186 HydrophobicContact CG1-CE1 3.46Å; V172-F186 VanDerWaalsContact CG1-CE1 3.46Å; V172-F186 HydrophobicContact CG1-CZ 4.1Å; V172-L206 HydrophobicContact CG1-CD2 4.18Å; V172-F208 HydrophobicContact CG2-CE1 3.58Å; V172-F208 HydrophobicContact CG2-CZ 3.86Å; V172-H256 PolarHBondContact O-NE2 2.52Å
173S98.3Very high96.9Very high2 Ų242.2 Ų42.21%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-155.3142.1169.1173.50000109.3G175 Y185 A251 R255S173-G175 PolarHBondContact OG-N 3.12Å; S173-G175 PolarHBondContact OG-O 2.87Å; S173-Y185 PolarHBondContact N-O 3.08Å; S173-Y185 PolarHBondContact O-N 2.91Å; S173-A251 VanDerWaalsContact OG-C 3.3Å; S173-A251 PolarHBondContact OG-O 2.51Å; S173-A251 VanDerWaalsContact OG-O 3.08Å; S173-R255 WeakPolarHBondContact OG-CG 3.28Å
174D98.1Very high97Very high1 Ų139.8 Ų39.81%0.00523%0.232CC..SBendtrans-1028.516882.4-26000113.5H145 S180 T181 V183 I184H145-D174 WeakPolarHBondContact CA-OD1 3.33Å; H145-D174 IonicContact CE1-OD1 3.76Å; H145-D174 IonicContact CG-OD1 3.67Å; H145-D174 IonicContact ND1-OD1 2.69Å; H145-D174 PolarHBondContact ND1-OD1 2.97Å; H145-D174 IonicContact ND1-OD2 3.12Å; D174-S180 WeakPolarHBondContact OD2-CB 3.35Å; D174-S180 PolarHBondContact OD2-OG 2.8Å; D174-T181 PolarHBondContact O-N 3.37Å; D174-T181 PolarHBondContact O-OG1 3.36Å; D174-V183 VanDerWaalsContact CA-O 3.27Å; D174-V183 WeakPolarHBondContact CA-O 3.32Å; D174-I184 HydrophobicContact CB-CD1 3.8Å
175G97.3Very high97Very high0 Ų036.5 Ų36.50%021%0.211CC..SBendtrans143.8171.4-175.300000114.4S173 N179S173-G175 PolarHBondContact OG-N 3.12Å; S173-G175 PolarHBondContact OG-O 2.87Å; G175-N179 CarbonylContact C-O 3.53Å; G175-N179 VanDerWaalsContact CA-O 3.26Å; G175-N179 WeakPolarHBondContact CA-O 3.25Å
176P95.9Very high97Very high10 Ų1031.9 Ų31.97%0.06518%0.181CC..  trans-59.9163.3166.6-23.435.1000113H145 D178 N179 E250H145-P176 PolarHBondContact CE1-O 3.26Å; H145-P176 VanDerWaalsContact CE1-O 3.3Å; P176-D178 PolarHBondContact O-N 3Å; P176-N179 VanDerWaalsContact CD-O 3.3Å; P176-N179 WeakPolarHBondContact CD-O 3.41Å; P176-N179 CarbonylContact O-C 2.99Å; P176-N179 PolarHBondContact O-N 2.8Å; P176-E250 HydrophobicContact CG-CG 4.11Å
177L91.6Very high97Very high43 Ų4331 Ų3123%0.22518%0.176CC..THydrogen-bonded Turntrans-53.5-26.2-174.9-76.7175.2000115.3K122 H145 R255 F301K122-L177 VanDerWaalsContact O-CD1 3.23Å; K122-L177 WeakPolarHBondContact O-CD1 3.47Å; H145-L177 PolarHBondContact NE2-O 3.05Å; L177-R255 VanDerWaalsContact CD2-NH1 3.31Å; L177-R255 VanDerWaalsContact CD2-NH2 3.33Å; L177-F301 VanDerWaalsContact O-CE1 3.28Å; L177-F301 WeakPolarHBondContact O-CE1 3.46Å; L177-F301 WeakPolarHBondContact O-CZ 3.13Å
178D91.8Very high97.1Very high133 Ų13329.7 Ų29.771%0.71116%0.162SC*.THydrogen-bonded Turntrans-110.9-1.7-175.356.7-24.1000112.7P176P176-D178 PolarHBondContact O-N 3Å
179N94.3Very high97.1Very high83 Ų8328.1 Ų28.144%0.44415%0.154SC..  trans-145.888-175.4-173.413.9000111.6G175 P176G175-N179 CarbonylContact C-O 3.53Å; G175-N179 VanDerWaalsContact CA-O 3.26Å; G175-N179 WeakPolarHBondContact CA-O 3.25Å; P176-N179 VanDerWaalsContact CD-O 3.3Å; P176-N179 WeakPolarHBondContact CD-O 3.41Å; P176-N179 CarbonylContact O-C 2.99Å; P176-N179 PolarHBondContact O-N 2.8Å
180S96.1Very high97Very high16 Ų1625 Ų2511%0.11214%0.141CC..  trans-95.2129.7175.6160.60000111.3R141 D174R141-S180 PolarHBondContact NH2-O 3.36Å; R141-S180 PolarHBondContact NH2-OG 2.98Å; D174-S180 WeakPolarHBondContact OD2-CB 3.35Å; D174-S180 PolarHBondContact OD2-OG 2.8Å
181T96.4Very high96.9Very high47 Ų4730.4 Ų30.429%0.28817%0.168SC..  trans-97-17.5171.7670000112.7D174 V183 F247D174-T181 PolarHBondContact O-N 3.37Å; D174-T181 PolarHBondContact O-OG1 3.36Å; T181-V183 PolarHBondContact O-N 3.01Å; T181-V183 PolarHBondContact OG1-N 2.88Å; T181-F247 HydrophobicContact CG2-CE1 3.55Å; T181-F247 HydrophobicContact CG2-CZ 3.55Å
182G97.1Very high96.9Very high0 Ų030.4 Ų30.40%016%0.164CC..SBendtrans77.6-5.2-172.100000114.2R141 Y295R141-G182 VanDerWaalsContact NE-CA 3.28Å; G182-Y295 VanDerWaalsContact O-CE1 3.26Å; G182-Y295 WeakPolarHBondContact O-CE1 3.28Å; G182-Y295 PolarHBondContact O-OH 2.87Å
183V98.1Very high96.8Very high29 Ų2934.4 Ų34.418%0.17619%0.186CC..PPolyproline II helixtrans-82.7121.2172.2176.60000108.4D174 T181 Y185 K272 F296D174-V183 VanDerWaalsContact CA-O 3.27Å; D174-V183 WeakPolarHBondContact CA-O 3.32Å; T181-V183 PolarHBondContact O-N 3.01Å; T181-V183 PolarHBondContact OG1-N 2.88Å; V183-Y185 HydrophobicContact CB-CE2 4.22Å; V183-Y185 HydrophobicContact CG1-CE1 4.13Å; V183-Y185 HydrophobicContact CG1-CE2 4.22Å; V183-Y185 WeakPolarHBondContact O-CD2 3.5Å; V183-Y185 WeakPolarHBondContact O-CE2 3.35Å; V183-Y185 PolarHBondContact O-N 3.48Å; V183-K272 HydrophobicContact CG1-CB 4.01Å; V183-K272 HydrophobicContact CG1-CD 3.97Å; V183-F296 HydrophobicContact CG2-CE1 3.87Å
184I98.5Very high96.7Very high1 Ų134.3 Ų34.31%0.00519%0.185CC..PPolyproline II helixtrans-83.2119.2-177.6-47.6-52.4000110.3A144 V172 D174 F186 L206 L233 K272 M273A144-I184 HydrophobicContact CB-CD1 4.02Å; V172-I184 HydrophobicContact CB-CG2 3.64Å; V172-I184 HydrophobicContact CG1-CG2 3.84Å; V172-I184 HydrophobicContact CG2-CG2 4.24Å; D174-I184 HydrophobicContact CB-CD1 3.8Å; I184-F186 HydrophobicContact CB-CE2 4.1Å; I184-F186 HydrophobicContact CB-CZ 4.44Å; I184-F186 HydrophobicContact CG2-CD2 4.47Å; I184-F186 HydrophobicContact CG2-CE2 3.76Å; I184-F186 HydrophobicContact CG2-CZ 3.81Å; I184-F186 WeakPolarHBondContact O-CE2 3.41Å; I184-L206 HydrophobicContact CB-CD2 4.47Å; I184-L206 HydrophobicContact CG1-CD2 4.39Å; I184-L206 HydrophobicContact CG2-CD2 3.79Å; I184-L233 HydrophobicContact CD1-CD1 3.97Å; I184-L233 HydrophobicContact CG1-CD1 3.55Å; I184-K272 VanDerWaalsContact O-CA 3.25Å; I184-K272 WeakPolarHBondContact O-CA 3.26Å; I184-M273 PolarHBondContact O-N 3.35Å
185Y98.7Very high96.7Very high5 Ų534.3 Ų34.32%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-96.9152.9173.3-60-77.7000111.7V172 S173 V183 V240 E244 F247 A248 A251 M252 M271 K272V172-Y185 WeakPolarHBondContact CA-O 3.37Å; S173-Y185 PolarHBondContact N-O 3.08Å; S173-Y185 PolarHBondContact O-N 2.91Å; V183-Y185 HydrophobicContact CB-CE2 4.22Å; V183-Y185 HydrophobicContact CG1-CE1 4.13Å; V183-Y185 HydrophobicContact CG1-CE2 4.22Å; V183-Y185 WeakPolarHBondContact O-CD2 3.5Å; V183-Y185 WeakPolarHBondContact O-CE2 3.35Å; V183-Y185 PolarHBondContact O-N 3.48Å; Y185-V240 HydrophobicContact CD1-CG2 3.94Å; Y185-V240 HydrophobicContact CE1-CG2 4.21Å; Y185-E244 HydrophobicContact CE1-CG 4.15Å; Y185-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E244 WeakPolarHBondContact CE1-OE1 3.23Å; Y185-E244 VanDerWaalsContact CZ-OE1 3.27Å; Y185-E244 PolarHBondContact OH-OE1 2.91Å; Y185-F247 AromaticContact CE2-CD1 3.86Å; Y185-F247 HydrophobicContact CE2-CD1 3.86Å; Y185-F247 AromaticContact CE2-CE1 3.71Å; Y185-F247 HydrophobicContact CE2-CE1 3.71Å; Y185-F247 AromaticContact CZ-CD1 3.9Å; Y185-A248 HydrophobicContact CD1-CB 3.48Å; Y185-A248 VanDerWaalsContact CD1-CB 3.48Å; Y185-A248 HydrophobicContact CE1-CB 3.77Å; Y185-A248 HydrophobicContact CG-CB 4.03Å; Y185-A251 HydrophobicContact CD2-CB 4.12Å; Y185-M252 VanDerWaalsContact C-SD 3.59Å; Y185-M271 CarbonylContact C-O 3.57Å; Y185-M271 WeakPolarHBondContact CA-O 3.16Å; Y185-K272 HydrophobicContact CD1-CB 3.93Å; Y185-K272 HydrophobicContact CE1-CB 4.11Å; Y185-K272 HydrophobicContact CE1-CD 4.33Å
186F98.6Very high96.7Very high1 Ų137 Ų370%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-136146.6179.5-54.7-104.7000108.9L152 F170 V172 I184 V188 L206 M237 F270 M271 M273L152-F186 HydrophobicContact CD1-CE1 4.48Å; L152-F186 HydrophobicContact CD1-CZ 4.5Å; L152-F186 HydrophobicContact CD2-CE1 4.4Å; F170-F186 HydrophobicContact CB-CD1 3.97Å; F170-F186 HydrophobicContact CB-CE1 4.15Å; F170-F186 HydrophobicContact CD1-CD1 4.19Å; F170-F186 HydrophobicContact CG-CD1 4.27Å; V172-F186 HydrophobicContact CG1-CD1 3.71Å; V172-F186 HydrophobicContact CG1-CE1 3.46Å; V172-F186 VanDerWaalsContact CG1-CE1 3.46Å; V172-F186 HydrophobicContact CG1-CZ 4.1Å; I184-F186 HydrophobicContact CB-CE2 4.1Å; I184-F186 HydrophobicContact CB-CZ 4.44Å; I184-F186 HydrophobicContact CG2-CD2 4.47Å; I184-F186 HydrophobicContact CG2-CE2 3.76Å; I184-F186 HydrophobicContact CG2-CZ 3.81Å; I184-F186 WeakPolarHBondContact O-CE2 3.41Å; F186-V188 HydrophobicContact CB-CG1 3.72Å; F186-L206 HydrophobicContact CE1-CD1 4.45Å; F186-L206 HydrophobicContact CE1-CD2 4.3Å; F186-L206 HydrophobicContact CZ-CD2 3.91Å; F186-M237 HydrophobicContact CD1-CE 4.27Å; F186-M237 HydrophobicContact CD2-CE 3.46Å; F186-M237 VanDerWaalsContact CD2-CE 3.46Å; F186-M237 HydrophobicContact CE1-CE 4.17Å; F186-M237 HydrophobicContact CE2-CE 3.35Å; F186-M237 HydrophobicContact CE2-SD 3.97Å; F186-M237 HydrophobicContact CG-CE 3.93Å; F186-M237 HydrophobicContact CZ-CE 3.71Å; F186-M237 HydrophobicContact CZ-SD 4.21Å; F186-F270 WeakPolarHBondContact O-CA 3.43Å; F186-M271 HydrophobicContact CB-CB 4.37Å; F186-M271 PolarHBondContact N-O 3.07Å; F186-M271 PolarHBondContact O-N 2.91Å; F186-M273 HydrophobicContact CE2-CB 4.21Å; F186-M273 HydrophobicContact CZ-CE 4.47Å
187Y98.5Very high96.8Very high39 Ų3936.6 Ų36.615%0.15320%0.199CC..EExtended strand (participates in β ladder)trans-116.9108.3171-171-125.5000108.6F253 M259 W262 W268 F270Y187-F253 HydrophobicContact CD1-CE1 4.02Å; Y187-F253 AromaticContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CZ 4.08Å; Y187-F253 HydrophobicContact CE2-CE1 4.4Å; Y187-F253 HydrophobicContact CE2-CZ 4.36Å; Y187-F253 HydrophobicContact CG-CE1 4.3Å; Y187-F253 AromaticContact CZ-CZ 3.91Å; Y187-M259 HydrophobicContact CD1-CB 3.93Å; Y187-M259 HydrophobicContact CD1-CG 4.18Å; Y187-M259 HydrophobicContact CD1-SD 3.97Å; Y187-M259 HydrophobicContact CE1-CB 4.2Å; Y187-M259 HydrophobicContact CG-SD 4.33Å; Y187-W262 AromaticContact CD1-CE3 3.71Å; Y187-W262 HydrophobicContact CD1-CE3 3.71Å; Y187-W262 AromaticContact CD1-CZ3 3.84Å; Y187-W262 HydrophobicContact CD1-CZ3 3.84Å; Y187-W262 AromaticContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CZ3 4.48Å; Y187-W268 HydrophobicContact CD1-CB 4.45Å; Y187-W268 HydrophobicContact CD1-CD2 4.39Å; Y187-W268 HydrophobicContact CD1-CE3 4.14Å; Y187-W268 HydrophobicContact CD2-CB 4.22Å; Y187-W268 HydrophobicContact CE1-CB 3.73Å; Y187-W268 AromaticContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CE3 4.21Å; Y187-W268 AromaticContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE2-CB 3.46Å; Y187-W268 VanDerWaalsContact CE2-CB 3.46Å; Y187-W268 HydrophobicContact CE2-CG 4.4Å; Y187-W268 AromaticContact CZ-CG 3.71Å; Y187-W268 WeakPolarHBondContact OH-CB 3.49Å; Y187-F270 AromaticContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD2 4.23Å; Y187-F270 AromaticContact CD2-CE1 3.28Å; Y187-F270 HydrophobicContact CD2-CE1 3.28Å; Y187-F270 AromaticContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CG 4.12Å; Y187-F270 AromaticContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CD2-CZ 3.41Å; Y187-F270 VanDerWaalsContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CE2-CD1 4.46Å; Y187-F270 HydrophobicContact CE2-CD2 4.34Å; Y187-F270 AromaticContact CE2-CE1 3.89Å; Y187-F270 HydrophobicContact CE2-CE1 3.89Å; Y187-F270 AromaticContact CE2-CE2 3.75Å; Y187-F270 HydrophobicContact CE2-CE2 3.75Å; Y187-F270 AromaticContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CE2-CZ 3.48Å; Y187-F270 VanDerWaalsContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CG-CD1 4.4Å; Y187-F270 AromaticContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CZ 4.33Å
188V98.2Very high97.1Very high5 Ų535.1 Ų35.13%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-133.3165.4-162.6-54.90000111.8F170 F186 V195 W268 F269 M271F170-V188 HydrophobicContact CD1-CG1 3.88Å; F170-V188 HydrophobicContact CE1-CB 4.42Å; F170-V188 HydrophobicContact CE1-CG1 3.58Å; F186-V188 HydrophobicContact CB-CG1 3.72Å; V188-V195 HydrophobicContact CB-CG2 3.76Å; V188-V195 HydrophobicContact CG1-CG2 4.48Å; V188-V195 HydrophobicContact CG2-CG2 3.85Å; V188-W268 CarbonylContact O-C 3.57Å; V188-W268 VanDerWaalsContact O-CA 3.26Å; V188-W268 WeakPolarHBondContact O-CA 3.33Å; V188-F269 HydrophobicContact CG2-CD1 4.22Å; V188-F269 HydrophobicContact CG2-CD2 4.28Å; V188-F269 HydrophobicContact CG2-CE1 3.76Å; V188-F269 HydrophobicContact CG2-CE2 3.86Å; V188-F269 HydrophobicContact CG2-CG 4.45Å; V188-F269 HydrophobicContact CG2-CZ 3.57Å; V188-F269 PolarHBondContact N-O 2.98Å; V188-F269 WeakPolarHBondContact O-CD1 3.48Å; V188-F269 PolarHBondContact O-N 2.77Å; V188-M271 HydrophobicContact CG2-CB 4.44Å; V188-M271 HydrophobicContact CG2-CG 3.72Å; V188-M271 HydrophobicContact CG2-SD 3.7Å
189T97.9Very high97.4Very high12 Ų1235.7 Ų35.77%0.07419%0.188CC..  trans-124.8143.8179.4168.50000110.5M191 D192 V195 H266 W268T189-M191 HydrophobicContact CG2-CB 4.17Å; T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.07Å; T189-M191 WeakPolarHBondContact OG1-CB 3.23Å; T189-M191 PolarHBondContact OG1-N 3.3Å; T189-M191 VanDerWaalsContact OG1-N 3.13Å; T189-D192 HydrophobicContact CG2-CB 4.24Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 3.11Å; T189-D192 VanDerWaalsContact O-N 3.09Å; T189-V195 WeakPolarHBondContact O-CB 3.32Å; T189-V195 VanDerWaalsContact O-CG2 3.31Å; T189-V195 WeakPolarHBondContact O-CG2 3.33Å; T189-H266 WeakPolarHBondContact CB-O 3.39Å; T189-H266 PolarHBondContact OG1-O 3.5Å; T189-W268 HydrophobicContact CG2-CE3 4.18Å; T189-W268 HydrophobicContact CG2-CH2 3.95Å; T189-W268 HydrophobicContact CG2-CZ3 3.71Å
190P96.9Very high97.5Very high42 Ų4236.2 Ų36.227%0.27320%0.197SC..THydrogen-bonded Turntrans-64.2-8.817329.9-37.4000113.7D192 K267P190-D192 VanDerWaalsContact C-N 3.31Å; P190-K267 VanDerWaalsContact CD-O 3.25Å; P190-K267 WeakPolarHBondContact CD-O 3.32Å; P190-K267 HydrophobicContact CG-CB 4.28Å
191M96.8Very high97.6Very high127 Ų12737.7 Ų37.763%0.62620%0.204SC*.THydrogen-bonded Turntrans-77.2-16.2174.1-61.217863.900113T189 H266T189-M191 HydrophobicContact CG2-CB 4.17Å; T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.07Å; T189-M191 WeakPolarHBondContact OG1-CB 3.23Å; T189-M191 PolarHBondContact OG1-N 3.3Å; T189-M191 VanDerWaalsContact OG1-N 3.13Å; M191-H266 HydrophobicContact SD-CB 4.02Å
192D96.6Very high97.7Very high42 Ų4237.2 Ų37.223%0.22520%0.202CC..SBendtrans-76.3133.3177.8-167.5-48000110.5T189 P190 T194 V195 T196T189-D192 HydrophobicContact CG2-CB 4.24Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 3.11Å; T189-D192 VanDerWaalsContact O-N 3.09Å; P190-D192 VanDerWaalsContact C-N 3.31Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.88Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 PolarHBondContact OD1-N 3.09Å; D192-T194 PolarHBondContact OD1-OG1 3.24Å; D192-V195 HydrophobicContact CB-CB 4.26Å; D192-V195 HydrophobicContact CB-CG2 3.99Å; D192-V195 PolarHBondContact O-N 3.1Å; D192-V195 VanDerWaalsContact O-N 3.08Å; D192-T196 PolarHBondContact O-N 3.37Å; D192-T196 PolarHBondContact O-OG1 2.89Å
193N96.4Very high97.8Very high84 Ų8443.4 Ų43.445%0.44923%0.226SC..Hα-helixtrans-59.5-37.5176.9-71.7-26.3000111.8Q158 V195 T196 D197Q158-N193 HydrophobicContact CG-CB 4.49Å; N193-V195 VanDerWaalsContact C-N 3.31Å; N193-V195 PolarHBondContact O-N 2.9Å; N193-T196 CarbonylContact O-C 3.49Å; N193-T196 WeakPolarHBondContact O-CA 3.28Å; N193-T196 WeakPolarHBondContact O-CB 3.11Å; N193-T196 PolarHBondContact O-N 3.27Å; N193-T196 VanDerWaalsContact O-N 3.12Å; N193-D197 VanDerWaalsContact O-CG 3.23Å; N193-D197 PolarHBondContact O-N 3Å
194T97.6Very high97.8Very high0 Ų042.3 Ų42.30%022%0.22CC..Hα-helixtrans-63.7-37.2175.6-58.40000111.1L152 T154 N168 F170 D192 T196 D197 L198L152-T194 HydrophobicContact CD2-CG2 3.97Å; T154-T194 HydrophobicContact CG2-CG2 3.56Å; N168-T194 WeakPolarHBondContact CB-OG1 3.28Å; N168-T194 PolarHBondContact ND2-OG1 3.43Å; F170-T194 HydrophobicContact CE2-CG2 3.61Å; F170-T194 HydrophobicContact CZ-CG2 3.85Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.88Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 PolarHBondContact OD1-N 3.09Å; D192-T194 PolarHBondContact OD1-OG1 3.24Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 3.39Å; T194-D197 WeakPolarHBondContact O-CB 3.17Å; T194-D197 PolarHBondContact O-N 2.03Å; T194-L198 HydrophobicContact CG2-CD1 4.48Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.01Å; T194-L198 PolarHBondContact O-N 2.96Å
195V97.7Very high97.8Very high2 Ų244 Ų441%0.01223%0.232CC..Hα-helixtrans-68.8-34174.3175.50000111.3V188 T189 D192 N193 L198 K199 F269V188-V195 HydrophobicContact CB-CG2 3.76Å; V188-V195 HydrophobicContact CG1-CG2 4.48Å; V188-V195 HydrophobicContact CG2-CG2 3.85Å; T189-V195 WeakPolarHBondContact O-CB 3.32Å; T189-V195 VanDerWaalsContact O-CG2 3.31Å; T189-V195 WeakPolarHBondContact O-CG2 3.33Å; D192-V195 HydrophobicContact CB-CB 4.26Å; D192-V195 HydrophobicContact CB-CG2 3.99Å; D192-V195 PolarHBondContact O-N 3.1Å; D192-V195 VanDerWaalsContact O-N 3.08Å; N193-V195 VanDerWaalsContact C-N 3.31Å; N193-V195 PolarHBondContact O-N 2.9Å; V195-L198 PolarHBondContact O-N 2.8Å; V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 3.16Å; V195-K199 VanDerWaalsContact O-N 3.14Å; V195-F269 HydrophobicContact CG1-CE1 4.13Å; V195-F269 HydrophobicContact CG1-CZ 3.75Å
196T97.6Very high97.8Very high57 Ų5743.8 Ų43.835%0.3523%0.231SC..Hα-helixtrans-64.4-41.9171.6-58.40000111.6D192 N193 T194 L198 K199 S200D192-T196 PolarHBondContact O-N 3.37Å; D192-T196 PolarHBondContact O-OG1 2.89Å; N193-T196 CarbonylContact O-C 3.49Å; N193-T196 WeakPolarHBondContact O-CA 3.28Å; N193-T196 WeakPolarHBondContact O-CB 3.11Å; N193-T196 PolarHBondContact O-N 3.27Å; N193-T196 VanDerWaalsContact O-N 3.12Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 2.88Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 3.19Å; T196-S200 PolarHBondContact O-N 2.97Å
197D98.1Very high97.8Very high0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-58.6-47173.6-64.9-16.4000111.3T154 I155 S156 T157 N193 T194 K199 S200 N201T154-D197 PolarHBondContact OG1-OD2 3.01Å; T154-D197 VanDerWaalsContact OG1-OD2 3.13Å; I155-D197 WeakPolarHBondContact O-CB 3.39Å; S156-D197 WeakPolarHBondContact CA-OD1 3.44Å; S156-D197 WeakPolarHBondContact CA-OD2 3.37Å; T157-D197 WeakPolarHBondContact CB-OD1 3.02Å; T157-D197 PolarHBondContact N-OD1 2.62Å; T157-D197 PolarHBondContact OG1-OD1 3.33Å; N193-D197 VanDerWaalsContact O-CG 3.23Å; N193-D197 PolarHBondContact O-N 3Å; T194-D197 WeakPolarHBondContact O-CB 3.17Å; T194-D197 PolarHBondContact O-N 2.03Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.5Å; D197-S200 PolarHBondContact O-N 3.48Å; D197-N201 PolarHBondContact O-N 3.23Å
198L98.2Very high97.8Very high13 Ų1343.9 Ų43.97%0.06824%0.236CC..Hα-helixtrans-62.8-29.1179.9-70.1173.9000113.7L152 T154 T194 V195 T196 S200 N201 P202 A204 M237 M271L152-L198 HydrophobicContact CD2-CD1 4.5Å; T154-L198 HydrophobicContact CG2-CD2 3.6Å; T154-L198 HydrophobicContact CG2-CG 3.94Å; T194-L198 HydrophobicContact CG2-CD1 4.48Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.01Å; T194-L198 PolarHBondContact O-N 2.96Å; V195-L198 PolarHBondContact O-N 2.8Å; T196-L198 PolarHBondContact O-N 2.88Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-N201 WeakPolarHBondContact CA-O 3.46Å; L198-N201 CarbonylContact O-C 3.59Å; L198-P202 WeakPolarHBondContact O-CA 3.28Å; L198-A204 HydrophobicContact CD2-CB 3.99Å; L198-M237 HydrophobicContact CD1-CB 4.07Å; L198-M237 HydrophobicContact CD1-CE 4.42Å; L198-M237 HydrophobicContact CD1-CG 3.95Å; L198-M237 HydrophobicContact CD2-CB 3.88Å; L198-M237 HydrophobicContact CD2-CG 3.59Å; L198-M237 HydrophobicContact CG-CB 4.47Å; L198-M237 HydrophobicContact CG-CG 4.4Å; L198-M271 HydrophobicContact CD1-CE 4.34Å; L198-M271 HydrophobicContact CD1-SD 4.34Å
199K96.9Very high97.7Very high145 Ų14544.7 Ų44.763%0.6324%0.242SC*.Hα-helixtrans-67.9-33.2173.5-73.2171.6-177.8172.90112.3V195 T196 D197V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 3.16Å; V195-K199 VanDerWaalsContact O-N 3.14Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 3.19Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.5Å
200S97.3Very high97.6Very high93 Ų9345.1 Ų45.165%0.6524%0.243SC*.Hα-helixtrans-83.4-37.6176.9-173.50000112T196 D197 L198T196-S200 PolarHBondContact O-N 2.97Å; D197-S200 PolarHBondContact O-N 3.48Å; L198-S200 VanDerWaalsContact C-N 3.32Å
201N98.1Very high97.5Very high47 Ų4744.9 Ų44.925%0.25124%0.244SC..  trans-142.4106179.2-178.7-5.9000109.2D197 L198 Y203D197-N201 PolarHBondContact O-N 3.23Å; L198-N201 WeakPolarHBondContact CA-O 3.46Å; L198-N201 CarbonylContact O-C 3.59Å; N201-Y203 PolarHBondContact O-N 3.11Å; N201-Y203 VanDerWaalsContact OD1-CD2 3.29Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.3Å; N201-Y203 PolarHBondContact OD1-N 2.89Å; N201-Y203 VanDerWaalsContact OD1-N 3.13Å
202P98.4Very high97.2Very high38 Ų3842 Ų4225%0.24723%0.229CC..  trans-77.5-0.3-173.233.5-37.4000113.5L198 K236 M237L198-P202 WeakPolarHBondContact O-CA 3.28Å; P202-K236 HydrophobicContact CB-CG 3.86Å; P202-K236 HydrophobicContact CG-CD 4.44Å; P202-K236 HydrophobicContact CG-CG 4.05Å; P202-K236 CarbonylContact O-C 3.55Å; P202-K236 WeakPolarHBondContact O-CA 3.1Å; P202-M237 PolarHBondContact O-N 2.88Å
203Y98.7Very high96.9Very high130 Ų13041.7 Ų41.751%0.5124%0.236SC..EExtended strand (participates in β ladder)trans-85.5132.3179.4-63.1-77.2000111.4N201 G235 K236 I276N201-Y203 PolarHBondContact O-N 3.11Å; N201-Y203 VanDerWaalsContact OD1-CD2 3.29Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.3Å; N201-Y203 PolarHBondContact OD1-N 2.89Å; N201-Y203 VanDerWaalsContact OD1-N 3.13Å; Y203-G235 WeakPolarHBondContact CA-O 3.45Å; Y203-K236 HydrophobicContact CD1-CB 4.28Å; Y203-K236 HydrophobicContact CE1-CB 4.2Å; Y203-I276 HydrophobicContact CD1-CD1 3.84Å; Y203-I276 HydrophobicContact CE1-CD1 3.67Å
204A98.6Very high96.6Very high5 Ų541.1 Ų41.14%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-147.3160.7-179.500000111.8L152 A153 T154 L198 G235 M237 M273L152-A204 HydrophobicContact CD1-CB 3.81Å; L152-A204 HydrophobicContact CG-CB 4.32Å; A153-A204 VanDerWaalsContact O-CA 3.3Å; A153-A204 WeakPolarHBondContact O-CA 3.36Å; A153-A204 WeakPolarHBondContact O-CB 3.32Å; T154-A204 HydrophobicContact CG2-CB 4.1Å; L198-A204 HydrophobicContact CD2-CB 3.99Å; A204-G235 PolarHBondContact N-O 3.05Å; A204-G235 PolarHBondContact O-N 3.01Å; A204-M237 HydrophobicContact CB-CG 3.97Å; A204-M273 HydrophobicContact CB-CE 4.42Å
205S98.7Very high96.4Very high37 Ų3743.8 Ų43.826%0.25925%0.245SC..EExtended strand (participates in β ladder)trans-121.7122.8171.8-62.60000109.8A153 L233 T234A153-S205 PolarHBondContact N-O 2.82Å; A153-S205 PolarHBondContact O-N 2.88Å; A153-S205 VanDerWaalsContact O-N 3.16Å; S205-L233 CarbonylContact C-O 3.32Å; S205-L233 VanDerWaalsContact CA-O 3.31Å; S205-L233 WeakPolarHBondContact CA-O 3.36Å; S205-T234 WeakPolarHBondContact OG-CG2 3.33Å; S205-T234 PolarHBondContact OG-OG1 2.79Å
206L98.8Very high96.2Very high0 Ų043.8 Ų43.80%025%0.245CC..EExtended strand (participates in β ladder)trans-100.6126.6174.117968000109.3H151 L152 V172 I184 F186 F208 T232 L233 M273H151-L206 WeakPolarHBondContact O-CA 3.5Å; L152-L206 HydrophobicContact CB-CD1 4.21Å; L152-L206 HydrophobicContact CD1-CB 3.96Å; L152-L206 HydrophobicContact CD1-CD1 4.27Å; V172-L206 HydrophobicContact CG1-CD2 4.18Å; I184-L206 HydrophobicContact CB-CD2 4.47Å; I184-L206 HydrophobicContact CG1-CD2 4.39Å; I184-L206 HydrophobicContact CG2-CD2 3.79Å; F186-L206 HydrophobicContact CE1-CD1 4.45Å; F186-L206 HydrophobicContact CE1-CD2 4.3Å; F186-L206 HydrophobicContact CZ-CD2 3.91Å; L206-F208 HydrophobicContact CD2-CE1 4.02Å; L206-F208 HydrophobicContact CD2-CE2 3.61Å; L206-F208 HydrophobicContact CD2-CZ 3.25Å; L206-F208 HydrophobicContact CG-CE1 4.33Å; L206-F208 HydrophobicContact CG-CE2 3.98Å; L206-F208 HydrophobicContact CG-CZ 3.86Å; L206-T232 CarbonylContact O-C 3.54Å; L206-T232 WeakPolarHBondContact O-CA 3.34Å; L206-L233 PolarHBondContact N-O 2.77Å; L206-L233 PolarHBondContact O-N 3.09Å; L206-M273 HydrophobicContact CB-CE 3.85Å
207T98.7Very high96Very high42 Ų4249.1 Ų49.126%0.25826%0.259SS..EExtended strand (participates in β ladder)trans-116.5136.1176.8-56.60000111.4H151 L231 T232H151-T207 PolarHBondContact N-O 3.13Å; H151-T207 PolarHBondContact O-N 3.26Å; T207-L231 CarbonylContact C-O 3.51Å; T207-L231 VanDerWaalsContact CA-O 3.28Å; T207-L231 WeakPolarHBondContact CA-O 3.22Å; T207-T232 WeakPolarHBondContact CG2-OG1 3.42Å; T207-T232 PolarHBondContact OG1-OG1 2.63Å
208F98.3Very high95.8Very high1 Ų155.9 Ų55.90%0.00429%0.29CS..EExtended strand (participates in β ladder)trans-113.8149.1171.9-57.3-74.4000110.1I143 W149 V172 L206 R230 L231 L233I143-F208 HydrophobicContact CG2-CB 3.6Å; I143-F208 HydrophobicContact CG2-CG 4.31Å; W149-F208 WeakPolarHBondContact O-CD1 3.39Å; W149-F208 VanDerWaalsContact O-CE1 3.32Å; W149-F208 WeakPolarHBondContact O-CE1 3.21Å; V172-F208 HydrophobicContact CG2-CE1 3.58Å; V172-F208 HydrophobicContact CG2-CZ 3.86Å; L206-F208 HydrophobicContact CD2-CE1 4.02Å; L206-F208 HydrophobicContact CD2-CE2 3.61Å; L206-F208 HydrophobicContact CD2-CZ 3.25Å; L206-F208 HydrophobicContact CG-CE1 4.33Å; L206-F208 HydrophobicContact CG-CE2 3.98Å; L206-F208 HydrophobicContact CG-CZ 3.86Å; F208-R230 WeakPolarHBondContact O-CA 3.29Å; F208-L231 HydrophobicContact CB-CB 4.38Å; F208-L231 HydrophobicContact CD2-CB 4.3Å; F208-L231 HydrophobicContact CD2-CD2 3.91Å; F208-L231 HydrophobicContact CD2-CG 4.2Å; F208-L231 HydrophobicContact CE2-CD2 4.4Å; F208-L231 PolarHBondContact N-O 3.11Å; F208-L231 PolarHBondContact O-N 3.02Å; F208-L231 VanDerWaalsContact O-N 3.09Å; F208-L233 HydrophobicContact CE2-CD1 3.9Å; F208-L233 HydrophobicContact CE2-CG 4.41Å
209S95.8Very high95.6Very high21 Ų2159.4 Ų59.415%0.14731%0.307CS..EExtended strand (participates in β ladder)trans-131131.3172-177.30000110.9A211 E212S209-A211 PolarHBondContact O-N 3.29Å; S209-A211 VanDerWaalsContact OG-CB 3.28Å; S209-A211 WeakPolarHBondContact OG-CB 3.27Å; S209-A211 PolarHBondContact OG-N 2.92Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 VanDerWaalsContact O-CG 3.32Å; S209-E212 WeakPolarHBondContact O-CG 3.39Å; S209-E212 PolarHBondContact O-N 2.8Å
210E94.8Very high95.6Very high21 Ų2158.7 Ų58.710%0.09832%0.315CS..G310 helixtrans-63.2-11.6171.5-70.4-166122.600113.2P130 I143 E212 G213 F215 A229P130-E210 WeakPolarHBondContact CG-OE1 3.33Å; I143-E210 HydrophobicContact CD1-CG 4.26Å; I143-E210 HydrophobicContact CG1-CG 3.99Å; E210-E212 PolarHBondContact O-N 3.46Å; E210-G213 PolarHBondContact O-N 2.84Å; E210-F215 HydrophobicContact CB-CD1 4.36Å; E210-A229 HydrophobicContact CG-CB 4.05Å; E210-A229 PolarHBondContact N-O 2.97Å; E210-A229 WeakPolarHBondContact OE2-CB 3.43Å; E210-A229 PolarHBondContact OE2-N 2.84Å
211A95Very high95.5Very high37 Ų3756.3 Ų56.331%0.30629%0.292SS..G310 helixtrans-66.2-19.2171.800000113S209 G213 C216 P223 C228S209-A211 PolarHBondContact O-N 3.29Å; S209-A211 VanDerWaalsContact OG-CB 3.28Å; S209-A211 WeakPolarHBondContact OG-CB 3.27Å; S209-A211 PolarHBondContact OG-N 2.92Å; A211-G213 VanDerWaalsContact C-N 3.27Å; A211-C216 PolarHBondContact N-SG 3.45Å; A211-P223 HydrophobicContact CB-CB 3.75Å; A211-P223 HydrophobicContact CB-CG 3.97Å; A211-C228 PolarHBondContact N-SG 3.01Å
212E92.2Very high95.5Very high67 Ų6758.9 Ų58.931%0.31331%0.306SS..G310 helixtrans-69.8-29.4174.2-61.6175.5-167.200111.6W149 S209 E210W149-E212 VanDerWaalsContact CE2-CD 3.49Å; W149-E212 HydrophobicContact CH2-CG 3.66Å; W149-E212 VanDerWaalsContact CH2-OE1 3.28Å; W149-E212 WeakPolarHBondContact CH2-OE1 3.45Å; W149-E212 HydrophobicContact CZ2-CB 3.98Å; W149-E212 HydrophobicContact CZ2-CG 3.37Å; W149-E212 WeakPolarHBondContact CZ2-OE2 3.42Å; W149-E212 WeakPolarHBondContact CZ3-OE1 3.46Å; W149-E212 PolarHBondContact NE1-OE2 2.85Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 VanDerWaalsContact O-CG 3.32Å; S209-E212 WeakPolarHBondContact O-CG 3.39Å; S209-E212 PolarHBondContact O-N 2.8Å; E210-E212 PolarHBondContact O-N 3.46Å
213G89.3Confident95.4Very high35 Ų3560.4 Ų60.436%0.36132%0.316SS..SBendtrans-85.3-171.3172.600000113.1E210 A211E210-G213 PolarHBondContact O-N 2.84Å; A211-G213 VanDerWaalsContact C-N 3.27Å
214D90.8Very high95.2Very high73 Ų7361.4 Ų61.439%0.3933%0.325SS..SBendtrans-87.7-10.6177.9-66.3-24.9000113R217 Q218D214-R217 PolarHBondContact O-N 3.22Å; D214-R217 IonicContact OD1-CZ 3.91Å; D214-R217 IonicContact OD1-NH1 3.75Å; D214-R217 PolarHBondContact OD1-NH1 3.03Å; D214-R217 IonicContact OD1-NH2 3.15Å; D214-R217 PolarHBondContact OD1-NH2 2.81Å; D214-R217 IonicContact OD2-NH2 2.87Å; D214-Q218 HydrophobicContact CB-CG 4.49Å; D214-Q218 WeakPolarHBondContact O-CB 3.41Å; D214-Q218 VanDerWaalsContact O-CG 3.22Å; D214-Q218 WeakPolarHBondContact O-CG 3.33Å; D214-Q218 PolarHBondContact O-N 3.42Å
215F91.9Very high95.1Very high55 Ų5562.8 Ų62.824%0.24133%0.332CS..Hα-helixtrans-59.7-58.9-171175-106.4000112.3P130 E210 R217 Q218 M219P130-F215 HydrophobicContact CG-CD1 4.07Å; P130-F215 HydrophobicContact CG-CD2 3.63Å; P130-F215 HydrophobicContact CG-CE1 4.03Å; P130-F215 HydrophobicContact CG-CE2 3.58Å; P130-F215 HydrophobicContact CG-CG 3.88Å; P130-F215 HydrophobicContact CG-CZ 3.79Å; E210-F215 HydrophobicContact CB-CD1 4.36Å; F215-R217 PolarHBondContact O-N 3.02Å; F215-Q218 PolarHBondContact O-N 2.99Å; F215-Q218 VanDerWaalsContact O-N 3.11Å; F215-M219 HydrophobicContact CD2-CG 4.15Å; F215-M219 HydrophobicContact CE1-CG 4.42Å; F215-M219 HydrophobicContact CE2-CG 3.76Å; F215-M219 HydrophobicContact CE2-SD 4.44Å; F215-M219 HydrophobicContact CZ-CG 3.91Å; F215-M219 WeakPolarHBondContact O-CG 3.25Å; F215-M219 PolarHBondContact O-N 2.98Å
216C94.1Very high94.9Very high3 Ų363.1 Ų63.12%0.0233%0.333CS..Hα-helixtrans-61.9-35-177.8-54.80000111.8A211 M219 V220 Y221 C228A211-C216 PolarHBondContact N-SG 3.45Å; C216-M219 PolarHBondContact O-N 2.96Å; C216-V220 PolarHBondContact O-N 3.11Å; C216-Y221 PolarHBondContact O-N 3.46Å; C216-C228 HydrophobicContact CB-CB 3.83Å; C216-C228 WeakPolarHBondContact CB-SG 3.23Å; C216-C228 WeakPolarHBondContact SG-CA 3.26Å; C216-C228 WeakPolarHBondContact SG-CB 3.35Å; C216-C228 CovalentContact SG-SG 2.03Å; C216-C228 PolarHBondContact SG-SG 2.91Å
217R94Very high94.7Very high169 Ų16966.9 Ų66.964%0.63835%0.347SS*.Hα-helixtrans-65.8-43175.7-170.717372.9-120.14112.3D214 F215 M219 V220D214-R217 PolarHBondContact O-N 3.22Å; D214-R217 IonicContact OD1-CZ 3.91Å; D214-R217 IonicContact OD1-NH1 3.75Å; D214-R217 PolarHBondContact OD1-NH1 3.03Å; D214-R217 IonicContact OD1-NH2 3.15Å; D214-R217 PolarHBondContact OD1-NH2 2.81Å; D214-R217 IonicContact OD2-NH2 2.87Å; F215-R217 PolarHBondContact O-N 3.02Å; R217-M219 VanDerWaalsContact C-N 3.31Å; R217-V220 PolarHBondContact O-N 3.15Å
218Q94.3Very high94.6Very high141 Ų14164.9 Ų64.966%0.65934%0.335SS*.Hα-helixtrans-66.1-35.4177.1-73.6173.62100111.9D214 F215 V220D214-Q218 HydrophobicContact CB-CG 4.49Å; D214-Q218 WeakPolarHBondContact O-CB 3.41Å; D214-Q218 VanDerWaalsContact O-CG 3.22Å; D214-Q218 WeakPolarHBondContact O-CG 3.33Å; D214-Q218 PolarHBondContact O-N 3.42Å; F215-Q218 PolarHBondContact O-N 2.99Å; F215-Q218 VanDerWaalsContact O-N 3.11Å; Q218-V220 VanDerWaalsContact C-N 3.29Å
219M93.9Very high94.5Very high88 Ų8864.9 Ų64.943%0.43334%0.335SS..Hα-helixtrans-82-6177.3-61.9-55.3-66.700113.7F215 C216 R217 Y221F215-M219 HydrophobicContact CD2-CG 4.15Å; F215-M219 HydrophobicContact CE1-CG 4.42Å; F215-M219 HydrophobicContact CE2-CG 3.76Å; F215-M219 HydrophobicContact CE2-SD 4.44Å; F215-M219 HydrophobicContact CZ-CG 3.91Å; F215-M219 WeakPolarHBondContact O-CG 3.25Å; F215-M219 PolarHBondContact O-N 2.98Å; C216-M219 PolarHBondContact O-N 2.96Å; R217-M219 VanDerWaalsContact C-N 3.31Å; M219-Y221 HydrophobicContact CB-CD1 4.1Å; M219-Y221 HydrophobicContact CB-CD2 3.57Å; M219-Y221 HydrophobicContact CB-CE1 4.04Å; M219-Y221 HydrophobicContact CB-CE2 3.51Å; M219-Y221 HydrophobicContact CB-CG 3.88Å; M219-Y221 HydrophobicContact CE-CE2 4.42Å; M219-Y221 HydrophobicContact CG-CD2 4.37Å; M219-Y221 HydrophobicContact CG-CE2 4.03Å; M219-Y221 WeakPolarHBondContact O-CD1 3.38Å; M219-Y221 PolarHBondContact O-N 3.06Å
220V95.9Very high94.6Very high130 Ų13067.7 Ų67.779%0.78834%0.343SS*.THydrogen-bonded Turntrans57.540.8-175.7-1600000111.3C216 R217 Q218C216-V220 PolarHBondContact O-N 3.11Å; R217-V220 PolarHBondContact O-N 3.15Å; Q218-V220 VanDerWaalsContact C-N 3.29Å
221Y96.1Very high94.7Very high42 Ų4266.7 Ų66.717%0.16534%0.338CS..  trans-92.8135.4172.6-63-20.7000109.7C216 M219 R227C216-Y221 PolarHBondContact O-N 3.46Å; M219-Y221 HydrophobicContact CB-CD1 4.1Å; M219-Y221 HydrophobicContact CB-CD2 3.57Å; M219-Y221 HydrophobicContact CB-CE1 4.04Å; M219-Y221 HydrophobicContact CB-CE2 3.51Å; M219-Y221 HydrophobicContact CB-CG 3.88Å; M219-Y221 HydrophobicContact CE-CE2 4.42Å; M219-Y221 HydrophobicContact CG-CD2 4.37Å; M219-Y221 HydrophobicContact CG-CE2 4.03Å; M219-Y221 WeakPolarHBondContact O-CD1 3.38Å; M219-Y221 PolarHBondContact O-N 3.06Å; Y221-R227 HydrophobicContact CD2-CB 3.78Å; Y221-R227 VanDerWaalsContact CE1-NH1 3.34Å; Y221-R227 HydrophobicContact CE2-CB 3.44Å; Y221-R227 VanDerWaalsContact CE2-CB 3.44Å; Y221-R227 HydrophobicContact CG-CB 4.47Å
222D96.9Very high94.9Very high101 Ų10166.1 Ų66.154%0.5433%0.331SS..  trans-63.7145.5163.8-175.3-92.2000109.1E224 D225D222-E224 PolarHBondContact O-N 3.43Å; D222-E224 VanDerWaalsContact O-N 3.09Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 3.3Å; D222-D225 WeakPolarHBondContact O-CB 3.48Å; D222-D225 PolarHBondContact O-N 3.21Å
223P96Very high95.2Very high71 Ų7163 Ų6346%0.46132%0.316SS..THydrogen-bonded Turntrans-56.1-22.9177.5-28.437.3000115.2A211A211-P223 HydrophobicContact CB-CB 3.75Å; A211-P223 HydrophobicContact CB-CG 3.97Å
224E95.4Very high95.7Very high151 Ų15163 Ų6371%0.70631%0.31SS*.THydrogen-bonded Turntrans-89.9-11.1175.3-163.9172.6-17700113.2D222 P226D222-E224 PolarHBondContact O-N 3.43Å; D222-E224 VanDerWaalsContact O-N 3.09Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 3.3Å; E224-P226 WeakPolarHBondContact O-CD 3.43Å
225D96.2Very high96Very high34 Ų3459.6 Ų59.618%0.18229%0.291CS..SBendtrans-57.7127.2174.3-169.2-57.6000109.4D222 R227 C228D222-D225 WeakPolarHBondContact O-CB 3.48Å; D222-D225 PolarHBondContact O-N 3.21Å; D225-R227 PolarHBondContact O-N 2.69Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.49Å; D225-R227 IonicContact OD1-CZ 3.73Å; D225-R227 PolarHBondContact OD1-N 2.88Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.97Å; D225-R227 IonicContact OD1-NH2 2.95Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 3.49Å; D225-R227 PolarHBondContact OD2-NE 2.93Å; D225-R227 IonicContact OD2-NH2 2.62Å; D225-R227 PolarHBondContact OD2-NH2 2.83Å; D225-C228 WeakPolarHBondContact O-CA 3.19Å; D225-C228 WeakPolarHBondContact O-CB 3.37Å; D225-C228 PolarHBondContact O-N 3.44Å
226P95.5Very high96.4Very high44 Ų4461 Ų6129%0.28630%0.297SS..THydrogen-bonded Turntrans-54.4-21.3-178.7-29.535.6000115.4E224 D282 W283 I284E224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-D282 CarbonylContact O-C 3.58Å; P226-D282 WeakPolarHBondContact O-CA 3.44Å; P226-W283 PolarHBondContact O-N 3.18Å; P226-I284 HydrophobicContact CB-CG1 4.31Å
227R94.6Very high96.6Very high78 Ų7861.3 Ų61.329%0.29430%0.298SS..THydrogen-bonded Turntrans-84.3-12.1177.8-57.3170.4-70172.7-1.6113.1Y221 D225 W283 I284Y221-R227 HydrophobicContact CD2-CB 3.78Å; Y221-R227 VanDerWaalsContact CE1-NH1 3.34Å; Y221-R227 HydrophobicContact CE2-CB 3.44Å; Y221-R227 VanDerWaalsContact CE2-CB 3.44Å; Y221-R227 HydrophobicContact CG-CB 4.47Å; D225-R227 PolarHBondContact O-N 2.69Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.49Å; D225-R227 IonicContact OD1-CZ 3.73Å; D225-R227 PolarHBondContact OD1-N 2.88Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.97Å; D225-R227 IonicContact OD1-NH2 2.95Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 3.49Å; D225-R227 PolarHBondContact OD2-NE 2.93Å; D225-R227 IonicContact OD2-NH2 2.62Å; D225-R227 PolarHBondContact OD2-NH2 2.83Å; R227-W283 HydrophobicContact CB-CZ3 4.43Å; R227-W283 HydrophobicContact CG-CE3 3.9Å; R227-W283 HydrophobicContact CG-CH2 4.45Å; R227-W283 HydrophobicContact CG-CZ3 3.84Å; R227-I284 HydrophobicContact CG-CG1 4.34Å
228C95.9Very high96.8Very high0 Ų054.8 Ų54.80%028%0.277CS..SBendtrans-88.496.6164-1760000107.3A211 C216 D225A211-C228 PolarHBondContact N-SG 3.01Å; C216-C228 HydrophobicContact CB-CB 3.83Å; C216-C228 WeakPolarHBondContact CB-SG 3.23Å; C216-C228 WeakPolarHBondContact SG-CA 3.26Å; C216-C228 WeakPolarHBondContact SG-CB 3.35Å; C216-C228 CovalentContact SG-SG 2.03Å; C216-C228 PolarHBondContact SG-SG 2.91Å; D225-C228 WeakPolarHBondContact O-CA 3.19Å; D225-C228 WeakPolarHBondContact O-CB 3.37Å; D225-C228 PolarHBondContact O-N 3.44Å
229A96.2Very high97Very high2 Ų254.6 Ų54.62%0.01728%0.276CS..  trans-68.6147.8-162.500000112.4I143 E210 Q281 D282I143-A229 HydrophobicContact CD1-CB 3.6Å; E210-A229 HydrophobicContact CG-CB 4.05Å; E210-A229 PolarHBondContact N-O 2.97Å; E210-A229 WeakPolarHBondContact OE2-CB 3.43Å; E210-A229 PolarHBondContact OE2-N 2.84Å; A229-Q281 CarbonylContact C-O 3.49Å; A229-Q281 WeakPolarHBondContact CA-O 3.31Å; A229-D282 HydrophobicContact CB-CB 3.7Å
230R96.7Very high97.2Very high79 Ų7950.8 Ų50.830%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-129.8130.7175.7-63.4-179.8-66.6138.3-3.9109.5F208 W279 Q281F208-R230 WeakPolarHBondContact O-CA 3.29Å; R230-W279 HydrophobicContact CB-CZ3 4.49Å; R230-Q281 PolarHBondContact N-O 2.84Å; R230-Q281 PolarHBondContact O-N 2.83Å
231L98.4Very high97.3Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-115.5124.9178.3174.366000108.5A140 I143 A144 T207 F208 L233 V278 L280A140-L231 HydrophobicContact CB-CD1 3.74Å; A140-L231 HydrophobicContact CB-CD2 4.39Å; A140-L231 WeakPolarHBondContact O-CD2 3.11Å; I143-L231 HydrophobicContact CB-CB 4.26Å; I143-L231 HydrophobicContact CB-CD2 4.11Å; I143-L231 HydrophobicContact CD1-CB 4.23Å; I143-L231 HydrophobicContact CG2-CB 3.79Å; I143-L231 HydrophobicContact CG2-CD2 4.13Å; A144-L231 HydrophobicContact CB-CD2 3.97Å; T207-L231 CarbonylContact C-O 3.51Å; T207-L231 VanDerWaalsContact CA-O 3.28Å; T207-L231 WeakPolarHBondContact CA-O 3.22Å; F208-L231 HydrophobicContact CB-CB 4.38Å; F208-L231 HydrophobicContact CD2-CB 4.3Å; F208-L231 HydrophobicContact CD2-CD2 3.91Å; F208-L231 HydrophobicContact CD2-CG 4.2Å; F208-L231 HydrophobicContact CE2-CD2 4.4Å; F208-L231 PolarHBondContact N-O 3.11Å; F208-L231 PolarHBondContact O-N 3.02Å; F208-L231 VanDerWaalsContact O-N 3.09Å; L231-L233 HydrophobicContact CD1-CD2 3.85Å; L231-L233 HydrophobicContact CD2-CD2 4.16Å; L231-L233 HydrophobicContact CD2-CG 4.27Å; L231-L233 HydrophobicContact CG-CD2 4Å; L231-L233 HydrophobicContact CG-CG 4.15Å; L231-V278 HydrophobicContact CD1-CG1 3.8Å; L231-L280 HydrophobicContact CB-CD1 4.42Å; L231-L280 HydrophobicContact CD1-CD1 4.4Å
232T98.8Very high97.3Very high26 Ų2649.4 Ų49.416%0.1626%0.26CS..EExtended strand (participates in β ladder)trans-116.1117.7170.7-60.50000109.5L206 T207 W279L206-T232 CarbonylContact O-C 3.54Å; L206-T232 WeakPolarHBondContact O-CA 3.34Å; T207-T232 WeakPolarHBondContact CG2-OG1 3.42Å; T207-T232 PolarHBondContact OG1-OG1 2.63Å; T232-W279 PolarHBondContact N-O 3.13Å; T232-W279 PolarHBondContact O-N 2.89Å
233L98.8Very high97.3Very high0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-99.7122.1174.1-59.2-176.8000108.4I184 S205 L206 F208 L231 M273 L275 V278 Y295I184-L233 HydrophobicContact CD1-CD1 3.97Å; I184-L233 HydrophobicContact CG1-CD1 3.55Å; S205-L233 CarbonylContact C-O 3.32Å; S205-L233 VanDerWaalsContact CA-O 3.31Å; S205-L233 WeakPolarHBondContact CA-O 3.36Å; L206-L233 PolarHBondContact N-O 2.77Å; L206-L233 PolarHBondContact O-N 3.09Å; F208-L233 HydrophobicContact CE2-CD1 3.9Å; F208-L233 HydrophobicContact CE2-CG 4.41Å; L231-L233 HydrophobicContact CD1-CD2 3.85Å; L231-L233 HydrophobicContact CD2-CD2 4.16Å; L231-L233 HydrophobicContact CD2-CG 4.27Å; L231-L233 HydrophobicContact CG-CD2 4Å; L231-L233 HydrophobicContact CG-CG 4.15Å; L233-M273 HydrophobicContact CB-SD 4.1Å; L233-L275 HydrophobicContact CB-CD2 3.79Å; L233-L275 HydrophobicContact CD1-CD2 4.25Å; L233-L275 HydrophobicContact CD2-CD1 4.49Å; L233-L275 HydrophobicContact CD2-CD2 4.33Å; L233-L275 HydrophobicContact CG-CD2 4.35Å; L233-V278 HydrophobicContact CD2-CB 4.27Å; L233-V278 HydrophobicContact CD2-CG1 3.92Å; L233-V278 HydrophobicContact CD2-CG2 3.89Å; L233-Y295 HydrophobicContact CD2-CE2 4.44Å
234T98.8Very high97.4Very high37 Ų3750.8 Ų50.823%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-115.3132.7176.8-60.80000109.3S205 I276 Q277S205-T234 WeakPolarHBondContact OG-CG2 3.33Å; S205-T234 PolarHBondContact OG-OG1 2.79Å; T234-I276 WeakPolarHBondContact O-CA 3.29Å; T234-I276 WeakPolarHBondContact O-CB 3.23Å; T234-I276 PolarHBondContact O-N 3.35Å; T234-Q277 PolarHBondContact N-O 2.91Å; T234-Q277 PolarHBondContact O-N 3.41Å
235G98.6Very high97.5Very high0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-168.2-173.6-172.800000114Y203 A204 D274Y203-G235 WeakPolarHBondContact CA-O 3.45Å; A204-G235 PolarHBondContact N-O 3.05Å; A204-G235 PolarHBondContact O-N 3.01Å; G235-D274 CarbonylContact C-O 3.44Å; G235-D274 WeakPolarHBondContact CA-O 3.18Å
236K98.6Very high97.6Very high86 Ų8649.2 Ų49.237%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-100.9126.3172.8-174.1-174.3176-173.20109.2P202 Y203 V238 D274P202-K236 HydrophobicContact CB-CG 3.86Å; P202-K236 HydrophobicContact CG-CD 4.44Å; P202-K236 HydrophobicContact CG-CG 4.05Å; P202-K236 CarbonylContact O-C 3.55Å; P202-K236 WeakPolarHBondContact O-CA 3.1Å; Y203-K236 HydrophobicContact CD1-CB 4.28Å; Y203-K236 HydrophobicContact CE1-CB 4.2Å; K236-V238 HydrophobicContact CD-CG1 4.18Å; K236-V238 HydrophobicContact CG-CG1 4.19Å; K236-D274 HydrophobicContact CB-CB 4.5Å; K236-D274 PolarHBondContact N-O 2.76Å; K236-D274 PolarHBondContact O-N 3.35Å
237M98.5Very high97.7Very high8 Ų849.3 Ų49.34%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-79127.6173.2-62.8-59.7-72.200109.9F186 L198 P202 A204 M271 K272 M273F186-M237 HydrophobicContact CD1-CE 4.27Å; F186-M237 HydrophobicContact CD2-CE 3.46Å; F186-M237 VanDerWaalsContact CD2-CE 3.46Å; F186-M237 HydrophobicContact CE1-CE 4.17Å; F186-M237 HydrophobicContact CE2-CE 3.35Å; F186-M237 HydrophobicContact CE2-SD 3.97Å; F186-M237 HydrophobicContact CG-CE 3.93Å; F186-M237 HydrophobicContact CZ-CE 3.71Å; F186-M237 HydrophobicContact CZ-SD 4.21Å; L198-M237 HydrophobicContact CD1-CB 4.07Å; L198-M237 HydrophobicContact CD1-CE 4.42Å; L198-M237 HydrophobicContact CD1-CG 3.95Å; L198-M237 HydrophobicContact CD2-CB 3.88Å; L198-M237 HydrophobicContact CD2-CG 3.59Å; L198-M237 HydrophobicContact CG-CB 4.47Å; L198-M237 HydrophobicContact CG-CG 4.4Å; P202-M237 PolarHBondContact O-N 2.88Å; A204-M237 HydrophobicContact CB-CG 3.97Å; M237-M271 HydrophobicContact CB-CE 3.78Å; M237-M271 HydrophobicContact CE-CB 4.26Å; M237-K272 WeakPolarHBondContact CA-O 3.41Å; M237-M273 HydrophobicContact SD-CB 3.74Å; M237-M273 HydrophobicContact SD-CE 3.55Å; M237-M273 VanDerWaalsContact SD-CE 3.55Å; M237-M273 HydrophobicContact SD-CG 4.01Å
238V98.3Very high97.9Very high32 Ų3245.6 Ų45.619%0.19425%0.245CC..EExtended strand (participates in β ladder)trans-133.1150.6179.3-60.80000110.4K236 M271 K272K236-V238 HydrophobicContact CD-CG1 4.18Å; K236-V238 HydrophobicContact CG-CG1 4.19Å; V238-M271 CarbonylContact O-C 3.51Å; V238-M271 VanDerWaalsContact O-CA 3.23Å; V238-M271 WeakPolarHBondContact O-CA 3.45Å; V238-M271 WeakPolarHBondContact O-CB 3.31Å; V238-K272 HydrophobicContact CG2-CD 4.38Å; V238-K272 HydrophobicContact CG2-CG 3.61Å; V238-K272 PolarHBondContact N-O 3.24Å; V238-K272 PolarHBondContact O-N 2.77Å
239E98.3Very high98Very high137 Ų13750.7 Ų50.764%0.6427%0.267SS*.EExtended strand (participates in β ladder)trans-67.2140.4169.7-173.6170.9173.300109.8F269E239-F269 HydrophobicContact CG-CD2 4.13Å
240V98.3Very high98.1Very high8 Ų856.1 Ų56.15%0.04829%0.292CS..PPolyproline II helixtrans-70.4131.7179.41770000109.6Y185 E244 A248 F270 K272Y185-V240 HydrophobicContact CD1-CG2 3.94Å; Y185-V240 HydrophobicContact CE1-CG2 4.21Å; V240-E244 HydrophobicContact CG1-CB 3.72Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; V240-A248 HydrophobicContact CG1-CB 4Å; V240-A248 HydrophobicContact CG2-CB 4.23Å; V240-F270 HydrophobicContact CB-CB 3.99Å; V240-F270 HydrophobicContact CG2-CB 3.8Å; V240-F270 PolarHBondContact N-O 3.34Å; V240-K272 HydrophobicContact CG2-CB 4.05Å; V240-K272 HydrophobicContact CG2-CD 4.49Å; V240-K272 HydrophobicContact CG2-CG 4.21Å
241A97.8Very high98.1Very high31 Ų3152.3 Ų52.326%0.25628%0.278SS..PPolyproline II helixtrans-68.7152.8179.800000111.6E243 E244 L245A241-E243 HydrophobicContact CB-CG 4.25Å; A241-E243 VanDerWaalsContact CB-OE1 3.29Å; A241-E243 WeakPolarHBondContact CB-OE1 3.4Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.42Å; A241-E243 VanDerWaalsContact O-N 3.11Å; A241-E244 PolarHBondContact O-N 3.48Å; A241-L245 PolarHBondContact O-N 3Å; A241-L245 VanDerWaalsContact O-N 3.15Å
242P97Very high98.1Very high113 Ų11352.3 Ų52.373%0.73428%0.278SS*.THydrogen-bonded Turntrans-54.2-34.7-176.4-27.735.6000114.7E244P242-E244 VanDerWaalsContact C-N 3.29Å; P242-E244 PolarHBondContact O-N 3.37Å
243E97.2Very high98Very high161 Ų16153 Ų5375%0.75228%0.279SS*.THydrogen-bonded Turntrans-66.8-25.9178.459.8-89.3-154.600114A241A241-E243 HydrophobicContact CB-CG 4.25Å; A241-E243 VanDerWaalsContact CB-OE1 3.29Å; A241-E243 WeakPolarHBondContact CB-OE1 3.4Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.42Å; A241-E243 VanDerWaalsContact O-N 3.11Å
244E97.4Very high98Very high39 Ų3955.6 Ų55.618%0.18230%0.297CS..THydrogen-bonded Turntrans-103.1-12.3-176.5-174.9178.6-173.300112.2Y185 V240 A241 P242 A246 F247 A248 K272Y185-E244 HydrophobicContact CE1-CG 4.15Å; Y185-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E244 WeakPolarHBondContact CE1-OE1 3.23Å; Y185-E244 VanDerWaalsContact CZ-OE1 3.27Å; Y185-E244 PolarHBondContact OH-OE1 2.91Å; V240-E244 HydrophobicContact CG1-CB 3.72Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; A241-E244 PolarHBondContact O-N 3.48Å; P242-E244 VanDerWaalsContact C-N 3.29Å; P242-E244 PolarHBondContact O-N 3.37Å; E244-A246 VanDerWaalsContact C-N 3.28Å; E244-A246 PolarHBondContact O-N 3.42Å; E244-F247 PolarHBondContact O-N 2.97Å; E244-A248 PolarHBondContact O-N 2.81Å; E244-K272 IonicContact OE1-NZ 3.44Å; E244-K272 PolarHBondContact OE1-NZ 3.46Å; E244-K272 IonicContact OE2-NZ 3.48Å; E244-K272 PolarHBondContact OE2-NZ 2.95Å
245L97.6Very high97.9Very high76 Ų7655.2 Ų55.240%0.39829%0.291SS..Hα-helixtrans-57.5-38.6-174.4-165.5156.6000112.8A241 F247 A248 K249 F270A241-L245 PolarHBondContact O-N 3Å; A241-L245 VanDerWaalsContact O-N 3.15Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.21Å; L245-A248 PolarHBondContact O-N 3.34Å; L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 PolarHBondContact O-N 3.18Å; L245-F270 HydrophobicContact CD2-CD2 4.37Å; L245-F270 HydrophobicContact CD2-CE2 4.39Å; L245-F270 HydrophobicContact CG-CD2 4.21Å
246A97.9Very high97.8Very high76 Ų7656.3 Ų56.363%0.62830%0.296SS*.Hα-helixtrans-60.4-44.117800000111.9E244 E250E244-A246 VanDerWaalsContact C-N 3.28Å; E244-A246 PolarHBondContact O-N 3.42Å; A246-E250 PolarHBondContact O-N 2.9Å; A246-E250 VanDerWaalsContact O-N 3.1Å
247F98.1Very high97.8Very high46 Ų4655.3 Ų55.320%0.20230%0.299CS..Hα-helixtrans-70.2-44.7177.9-176.7-99000111.6T181 Y185 E244 L245 K249 E250 A251T181-F247 HydrophobicContact CG2-CE1 3.55Å; T181-F247 HydrophobicContact CG2-CZ 3.55Å; Y185-F247 AromaticContact CE2-CD1 3.86Å; Y185-F247 HydrophobicContact CE2-CD1 3.86Å; Y185-F247 AromaticContact CE2-CE1 3.71Å; Y185-F247 HydrophobicContact CE2-CE1 3.71Å; Y185-F247 AromaticContact CZ-CD1 3.9Å; E244-F247 PolarHBondContact O-N 2.97Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.21Å; F247-K249 VanDerWaalsContact C-N 3.26Å; F247-K249 PolarHBondContact O-N 2.91Å; F247-E250 PolarHBondContact O-N 2.74Å; F247-E250 VanDerWaalsContact O-N 3.11Å; F247-A251 HydrophobicContact CE1-CB 4.4Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 2.93Å
248A98.1Very high97.7Very high0 Ų059.2 Ų59.20%032%0.323CS..Hα-helixtrans-58-40.4177.200000112Y185 V240 E244 L245 M252 F270Y185-A248 HydrophobicContact CD1-CB 3.48Å; Y185-A248 VanDerWaalsContact CD1-CB 3.48Å; Y185-A248 HydrophobicContact CE1-CB 3.77Å; Y185-A248 HydrophobicContact CG-CB 4.03Å; V240-A248 HydrophobicContact CG1-CB 4Å; V240-A248 HydrophobicContact CG2-CB 4.23Å; E244-A248 PolarHBondContact O-N 2.81Å; L245-A248 PolarHBondContact O-N 3.34Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.35Å; A248-M252 PolarHBondContact O-N 2.83Å; A248-F270 HydrophobicContact CB-CB 4.26Å; A248-F270 HydrophobicContact CB-CD1 4.2Å; A248-F270 HydrophobicContact CB-CG 4.24Å
249K98Very high97.7Very high107 Ų10757.8 Ų57.847%0.46531%0.314SS..Hα-helixtrans-63.6-45.8174.7-178.3179.5179.5-178.80112L245 F247 F253 F270L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 PolarHBondContact O-N 3.18Å; F247-K249 VanDerWaalsContact C-N 3.26Å; F247-K249 PolarHBondContact O-N 2.91Å; K249-F253 HydrophobicContact CD-CE2 4.33Å; K249-F253 HydrophobicContact CG-CD2 3.82Å; K249-F253 HydrophobicContact CG-CE2 3.87Å; K249-F253 HydrophobicContact CG-CG 4.35Å; K249-F253 HydrophobicContact CG-CZ 4.42Å; K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 WeakPolarHBondContact O-CG 3.48Å; K249-F253 PolarHBondContact O-N 3.23Å; K249-F270 HydrophobicContact CB-CE1 4.37Å; K249-F270 HydrophobicContact CB-CE2 4.03Å; K249-F270 HydrophobicContact CB-CZ 3.73Å; K249-F270 HydrophobicContact CG-CE2 4.41Å; K249-F270 HydrophobicContact CG-CZ 3.96Å
250E97.9Very high97.6Very high116 Ų11654.7 Ų54.754%0.54231%0.308SS..Hα-helixtrans-62.8-48177.5-175.4-178.6-177.300111.7P176 A246 F247 M252 S254P176-E250 HydrophobicContact CG-CG 4.11Å; A246-E250 PolarHBondContact O-N 2.9Å; A246-E250 VanDerWaalsContact O-N 3.1Å; F247-E250 PolarHBondContact O-N 2.74Å; F247-E250 VanDerWaalsContact O-N 3.11Å; E250-M252 PolarHBondContact O-N 3.37Å; E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.68Å; E250-S254 PolarHBondContact O-OG 3.3Å
251A97.6Very high97.5Very high0 Ų062.3 Ų62.30%034%0.34CS..Hα-helixtrans-54.8-55.1176.700000111S173 Y185 F247 S254 R255S173-A251 VanDerWaalsContact OG-C 3.3Å; S173-A251 PolarHBondContact OG-O 2.51Å; S173-A251 VanDerWaalsContact OG-O 3.08Å; Y185-A251 HydrophobicContact CD2-CB 4.12Å; F247-A251 HydrophobicContact CE1-CB 4.4Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 2.93Å; A251-S254 PolarHBondContact O-OG 3.3Å; A251-R255 PolarHBondContact O-N 2.93Å
252M98.1Very high97.4Very high0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-64.3-49.1-179.2-71.2-56-61.500112.7Y185 A248 E250 S254 R255 H256 M259 F270Y185-M252 VanDerWaalsContact C-SD 3.59Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.35Å; A248-M252 PolarHBondContact O-N 2.83Å; E250-M252 PolarHBondContact O-N 3.37Å; M252-S254 PolarHBondContact O-N 3.49Å; M252-R255 PolarHBondContact O-N 2.98Å; M252-H256 WeakPolarHBondContact O-CA 3.5Å; M252-H256 WeakPolarHBondContact O-CB 3.3Å; M252-H256 PolarHBondContact O-N 2.97Å; M252-M259 HydrophobicContact CE-CE 3.67Å; M252-M259 HydrophobicContact CE-SD 3.66Å; M252-F270 HydrophobicContact CB-CE1 3.98Å; M252-F270 HydrophobicContact CG-CD1 4.12Å; M252-F270 HydrophobicContact CG-CE1 3.97Å
253F97.9Very high97.4Very high41 Ų4162.5 Ų62.518%0.1833%0.329CS..Hα-helixtrans-77.8-21.9-172.7-68.41.8000113Y187 K249 H256 P257 M259 F270Y187-F253 HydrophobicContact CD1-CE1 4.02Å; Y187-F253 AromaticContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CZ 4.08Å; Y187-F253 HydrophobicContact CE2-CE1 4.4Å; Y187-F253 HydrophobicContact CE2-CZ 4.36Å; Y187-F253 HydrophobicContact CG-CE1 4.3Å; Y187-F253 AromaticContact CZ-CZ 3.91Å; K249-F253 HydrophobicContact CD-CE2 4.33Å; K249-F253 HydrophobicContact CG-CD2 3.82Å; K249-F253 HydrophobicContact CG-CE2 3.87Å; K249-F253 HydrophobicContact CG-CG 4.35Å; K249-F253 HydrophobicContact CG-CZ 4.42Å; K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 WeakPolarHBondContact O-CG 3.48Å; K249-F253 PolarHBondContact O-N 3.23Å; F253-H256 CarbonylContact O-C 3.57Å; F253-P257 VanDerWaalsContact O-CA 3.28Å; F253-P257 WeakPolarHBondContact O-CA 3.29Å; F253-M259 HydrophobicContact CD1-CB 3.78Å; F253-M259 HydrophobicContact CE1-CB 3.6Å; F253-F270 HydrophobicContact CE1-CE1 4.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CZ-CZ 4.18Å
254S97.2Very high97.2Very high54 Ų5461.4 Ų61.438%0.37833%0.333SS..Hα-helixtrans-71.9-33.417269.20000112.6E250 A251 M252E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.68Å; E250-S254 PolarHBondContact O-OG 3.3Å; A251-S254 PolarHBondContact O-OG 3.3Å; M252-S254 PolarHBondContact O-N 3.49Å
255R97Very high97.1Very high28 Ų2862.7 Ų62.711%0.10636%0.357CS..Hα-helixtrans-80.5-40.9172.8-68.4-92.157.363.85.3112D148 S173 L177 A251 M252 P257D148-R255 WeakPolarHBondContact OD1-CD 3.42Å; D148-R255 IonicContact OD1-NE 3.79Å; D148-R255 PolarHBondContact OD1-NE 2.9Å; D148-R255 VanDerWaalsContact OD1-NE 3.12Å; S173-R255 WeakPolarHBondContact OG-CG 3.28Å; L177-R255 VanDerWaalsContact CD2-NH1 3.31Å; L177-R255 VanDerWaalsContact CD2-NH2 3.33Å; A251-R255 PolarHBondContact O-N 2.93Å; M252-R255 PolarHBondContact O-N 2.98Å; R255-P257 WeakPolarHBondContact O-CD 3.39Å
256H97.9Very high97Very high23 Ų2362.5 Ų62.511%0.10635%0.354CS..  trans-123.571.2-171.6-58-76.7000111.6D148 V172 M252 F253 V258 M259D148-H256 PolarHBondContact O-CE1 2.82Å; D148-H256 PolarHBondContact O-NE2 2.72Å; V172-H256 PolarHBondContact O-NE2 2.52Å; M252-H256 WeakPolarHBondContact O-CA 3.5Å; M252-H256 WeakPolarHBondContact O-CB 3.3Å; M252-H256 PolarHBondContact O-N 2.97Å; F253-H256 CarbonylContact O-C 3.57Å; H256-V258 PolarHBondContact O-N 3.18Å; H256-V258 VanDerWaalsContact O-N 3.07Å; H256-M259 HydrophobicContact CB-CE 3.64Å; H256-M259 HydrophobicContact CB-CG 3.74Å; H256-M259 HydrophobicContact CB-SD 3.53Å; H256-M259 VanDerWaalsContact CB-SD 3.53Å; H256-M259 WeakPolarHBondContact O-CB 3.26Å; H256-M259 PolarHBondContact O-N 3.2Å
257P97.6Very high97Very high66 Ų6666.5 Ų66.543%0.42936%0.357SS..G310 helixtrans-60.7-27.1-171.822.6-33.9000113.7F253 R255 M259 S260F253-P257 VanDerWaalsContact O-CA 3.28Å; F253-P257 WeakPolarHBondContact O-CA 3.29Å; R255-P257 WeakPolarHBondContact O-CD 3.39Å; P257-M259 PolarHBondContact O-N 3.26Å; P257-S260 PolarHBondContact O-N 3.09Å; P257-S260 PolarHBondContact O-OG 2.77Å
258V97.1Very high97Very high89 Ų8967 Ų6754%0.53936%0.358SS..G310 helixtrans-63.5-27.1177.570.70000113H256 S260 K261 W262H256-V258 PolarHBondContact O-N 3.18Å; H256-V258 VanDerWaalsContact O-N 3.07Å; V258-S260 PolarHBondContact O-N 2.78Å; V258-K261 PolarHBondContact O-N 2.88Å; V258-W262 VanDerWaalsContact O-CD1 3.29Å
259M97.4Very high97Very high3 Ų369.1 Ų69.12%0.01537%0.367CS..G310 helixtrans-61.9-28.2-179.4-70.2-177.817800112.9Y187 M252 F253 H256 P257 K261 W262Y187-M259 HydrophobicContact CD1-CB 3.93Å; Y187-M259 HydrophobicContact CD1-CG 4.18Å; Y187-M259 HydrophobicContact CD1-SD 3.97Å; Y187-M259 HydrophobicContact CE1-CB 4.2Å; Y187-M259 HydrophobicContact CG-SD 4.33Å; M252-M259 HydrophobicContact CE-CE 3.67Å; M252-M259 HydrophobicContact CE-SD 3.66Å; F253-M259 HydrophobicContact CD1-CB 3.78Å; F253-M259 HydrophobicContact CE1-CB 3.6Å; H256-M259 HydrophobicContact CB-CE 3.64Å; H256-M259 HydrophobicContact CB-CG 3.74Å; H256-M259 HydrophobicContact CB-SD 3.53Å; H256-M259 VanDerWaalsContact CB-SD 3.53Å; H256-M259 WeakPolarHBondContact O-CB 3.26Å; H256-M259 PolarHBondContact O-N 3.2Å; P257-M259 PolarHBondContact O-N 3.26Å; M259-K261 PolarHBondContact O-N 2.9Å; M259-W262 HydrophobicContact CB-CD2 4.2Å; M259-W262 HydrophobicContact CB-CE3 4.31Å; M259-W262 HydrophobicContact CE-CH2 3.67Å; M259-W262 HydrophobicContact CE-CZ2 4.21Å; M259-W262 HydrophobicContact CE-CZ3 4.22Å; M259-W262 HydrophobicContact CG-CD2 4.04Å; M259-W262 HydrophobicContact CG-CE3 4.03Å; M259-W262 HydrophobicContact CG-CH2 3.69Å; M259-W262 HydrophobicContact CG-CZ2 3.64Å; M259-W262 HydrophobicContact CG-CZ3 3.86Å; M259-W262 WeakPolarHBondContact O-CB 3.38Å; M259-W262 PolarHBondContact O-N 2.99Å; M259-W262 HydrophobicContact SD-CH2 4.25Å; M259-W262 HydrophobicContact SD-CZ3 4.34Å
260S95.4Very high97Very high72 Ų7264.9 Ų64.950%0.50335%0.349SS..G310 helixtrans-62.9-20.2175.567.20000113.7P257 V258P257-S260 PolarHBondContact O-N 3.09Å; P257-S260 PolarHBondContact O-OG 2.77Å; V258-S260 PolarHBondContact O-N 2.78Å
261K96.5Very high97Very high168 Ų16860.2 Ų60.273%0.7333%0.327SS*.G310 helixtrans-105.54.2-178.2-60176.3-176.9171.60112.6V258 M259V258-K261 PolarHBondContact O-N 2.88Å; M259-K261 PolarHBondContact O-N 2.9Å
262W96.5Very high97.1Very high76 Ų7662.1 Ų62.129%0.28834%0.335SS..SBendtrans-66153.2-179.7-74.90.1000112.1Y187 V258 M259 V264 W268Y187-W262 AromaticContact CD1-CE3 3.71Å; Y187-W262 HydrophobicContact CD1-CE3 3.71Å; Y187-W262 AromaticContact CD1-CZ3 3.84Å; Y187-W262 HydrophobicContact CD1-CZ3 3.84Å; Y187-W262 AromaticContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CZ3 4.48Å; V258-W262 VanDerWaalsContact O-CD1 3.29Å; M259-W262 HydrophobicContact CB-CD2 4.2Å; M259-W262 HydrophobicContact CB-CE3 4.31Å; M259-W262 HydrophobicContact CE-CH2 3.67Å; M259-W262 HydrophobicContact CE-CZ2 4.21Å; M259-W262 HydrophobicContact CE-CZ3 4.22Å; M259-W262 HydrophobicContact CG-CD2 4.04Å; M259-W262 HydrophobicContact CG-CE3 4.03Å; M259-W262 HydrophobicContact CG-CH2 3.69Å; M259-W262 HydrophobicContact CG-CZ2 3.64Å; M259-W262 HydrophobicContact CG-CZ3 3.86Å; M259-W262 WeakPolarHBondContact O-CB 3.38Å; M259-W262 PolarHBondContact O-N 2.99Å; M259-W262 HydrophobicContact SD-CH2 4.25Å; M259-W262 HydrophobicContact SD-CZ3 4.34Å; W262-V264 PolarHBondContact O-N 3.28Å; W262-W268 HydrophobicContact CB-CZ2 4.05Å; W262-W268 HydrophobicContact CD2-CH2 4.12Å; W262-W268 HydrophobicContact CD2-CZ2 4Å; W262-W268 AromaticContact CE3-CD2 3.89Å; W262-W268 HydrophobicContact CE3-CD2 3.89Å; W262-W268 AromaticContact CE3-CE2 3.73Å; W262-W268 AromaticContact CE3-CE3 3.71Å; W262-W268 HydrophobicContact CE3-CE3 3.71Å; W262-W268 AromaticContact CE3-CH2 3.29Å; W262-W268 HydrophobicContact CE3-CH2 3.29Å; W262-W268 AromaticContact CE3-CZ2 3.46Å; W262-W268 HydrophobicContact CE3-CZ2 3.46Å; W262-W268 VanDerWaalsContact CE3-CZ2 3.46Å; W262-W268 AromaticContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CE3-CZ3 3.42Å; W262-W268 VanDerWaalsContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CG-CZ2 4.31Å; W262-W268 HydrophobicContact CH2-CH2 4.43Å; W262-W268 HydrophobicContact CH2-CZ3 4.44Å; W262-W268 AromaticContact CZ3-CE3 3.87Å; W262-W268 HydrophobicContact CZ3-CE3 3.87Å; W262-W268 AromaticContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CH2 3.49Å; W262-W268 VanDerWaalsContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CZ2 4.15Å; W262-W268 AromaticContact CZ3-CZ3 3.32Å; W262-W268 HydrophobicContact CZ3-CZ3 3.32Å
263P96.4Very high97.1Very high72 Ų7262.2 Ų62.247%0.46834%0.336SS..  trans-59.9121.9-173.7-24.234.1000112.4G265 H266 W268P263-G265 PolarHBondContact O-N 2.81Å; P263-H266 PolarHBondContact O-N 2.8Å; P263-W268 PolarHBondContact O-NE1 2.89Å
264V93.3Very high97.1Very high137 Ų13763.7 Ų63.783%0.8335%0.345SS*.G310 helixtrans-61.1-31-177.7-176.20000111.9W262 H266 K267W262-V264 PolarHBondContact O-N 3.28Å; V264-H266 PolarHBondContact O-N 3.46Å; V264-H266 VanDerWaalsContact O-N 3.09Å; V264-K267 PolarHBondContact O-N 3.05Å
265G95.5Very high97.2Very high67 Ų6762 Ų6269%0.69133%0.332SS*.G310 helixtrans-61.1-18.2-179.700000114.9P263 K267P263-G265 PolarHBondContact O-N 2.81Å; G265-K267 PolarHBondContact O-N 3.27Å
266H96.1Very high97.3Very high71 Ų7165.3 Ų65.333%0.32935%0.351SS..G310 helixtrans-81.1-0-179-63.4-172000113.5T189 M191 P263 V264 W268T189-H266 WeakPolarHBondContact CB-O 3.39Å; T189-H266 PolarHBondContact OG1-O 3.5Å; M191-H266 HydrophobicContact SD-CB 4.02Å; P263-H266 PolarHBondContact O-N 2.8Å; V264-H266 PolarHBondContact O-N 3.46Å; V264-H266 VanDerWaalsContact O-N 3.09Å; H266-W268 HydrophobicContact CB-CD2 4.45Å; H266-W268 HydrophobicContact CB-CZ2 4.04Å; H266-W268 AromaticContact ND1-CZ2 3.65Å; H266-W268 PolarHBondContact O-N 3.28Å
267K97.2Very high97.3Very high160 Ų16068.2 Ų68.270%0.69637%0.365SS*.  trans54.852.3174.9-55.9177.7-178.4177.20112.7P190 V264 G265P190-K267 VanDerWaalsContact CD-O 3.25Å; P190-K267 WeakPolarHBondContact CD-O 3.32Å; P190-K267 HydrophobicContact CG-CB 4.28Å; V264-K267 PolarHBondContact O-N 3.05Å; G265-K267 PolarHBondContact O-N 3.27Å
268W97.9Very high97.4Very high58 Ų5865.1 Ų65.122%0.2234%0.344CS..  trans-63.9144179.4-56.997.1000112.4Y187 V188 T189 W262 P263 H266Y187-W268 HydrophobicContact CD1-CB 4.45Å; Y187-W268 HydrophobicContact CD1-CD2 4.39Å; Y187-W268 HydrophobicContact CD1-CE3 4.14Å; Y187-W268 HydrophobicContact CD2-CB 4.22Å; Y187-W268 HydrophobicContact CE1-CB 3.73Å; Y187-W268 AromaticContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CE3 4.21Å; Y187-W268 AromaticContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE2-CB 3.46Å; Y187-W268 VanDerWaalsContact CE2-CB 3.46Å; Y187-W268 HydrophobicContact CE2-CG 4.4Å; Y187-W268 AromaticContact CZ-CG 3.71Å; Y187-W268 WeakPolarHBondContact OH-CB 3.49Å; V188-W268 CarbonylContact O-C 3.57Å; V188-W268 VanDerWaalsContact O-CA 3.26Å; V188-W268 WeakPolarHBondContact O-CA 3.33Å; T189-W268 HydrophobicContact CG2-CE3 4.18Å; T189-W268 HydrophobicContact CG2-CH2 3.95Å; T189-W268 HydrophobicContact CG2-CZ3 3.71Å; W262-W268 HydrophobicContact CB-CZ2 4.05Å; W262-W268 HydrophobicContact CD2-CH2 4.12Å; W262-W268 HydrophobicContact CD2-CZ2 4Å; W262-W268 AromaticContact CE3-CD2 3.89Å; W262-W268 HydrophobicContact CE3-CD2 3.89Å; W262-W268 AromaticContact CE3-CE2 3.73Å; W262-W268 AromaticContact CE3-CE3 3.71Å; W262-W268 HydrophobicContact CE3-CE3 3.71Å; W262-W268 AromaticContact CE3-CH2 3.29Å; W262-W268 HydrophobicContact CE3-CH2 3.29Å; W262-W268 AromaticContact CE3-CZ2 3.46Å; W262-W268 HydrophobicContact CE3-CZ2 3.46Å; W262-W268 VanDerWaalsContact CE3-CZ2 3.46Å; W262-W268 AromaticContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CE3-CZ3 3.42Å; W262-W268 VanDerWaalsContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CG-CZ2 4.31Å; W262-W268 HydrophobicContact CH2-CH2 4.43Å; W262-W268 HydrophobicContact CH2-CZ3 4.44Å; W262-W268 AromaticContact CZ3-CE3 3.87Å; W262-W268 HydrophobicContact CZ3-CE3 3.87Å; W262-W268 AromaticContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CH2 3.49Å; W262-W268 VanDerWaalsContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CZ2 4.15Å; W262-W268 AromaticContact CZ3-CZ3 3.32Å; W262-W268 HydrophobicContact CZ3-CZ3 3.32Å; P263-W268 PolarHBondContact O-NE1 2.89Å; H266-W268 HydrophobicContact CB-CD2 4.45Å; H266-W268 HydrophobicContact CB-CZ2 4.04Å; H266-W268 AromaticContact ND1-CZ2 3.65Å; H266-W268 PolarHBondContact O-N 3.28Å
269F98.1Very high97.4Very high43 Ų4363.6 Ų63.619%0.18933%0.329CS..EExtended strand (participates in β ladder)trans-146166.1176.767.4-78000110.5V188 V195 E239 M271V188-F269 HydrophobicContact CG2-CD1 4.22Å; V188-F269 HydrophobicContact CG2-CD2 4.28Å; V188-F269 HydrophobicContact CG2-CE1 3.76Å; V188-F269 HydrophobicContact CG2-CE2 3.86Å; V188-F269 HydrophobicContact CG2-CG 4.45Å; V188-F269 HydrophobicContact CG2-CZ 3.57Å; V188-F269 PolarHBondContact N-O 2.98Å; V188-F269 WeakPolarHBondContact O-CD1 3.48Å; V188-F269 PolarHBondContact O-N 2.77Å; V195-F269 HydrophobicContact CG1-CE1 4.13Å; V195-F269 HydrophobicContact CG1-CZ 3.75Å; E239-F269 HydrophobicContact CG-CD2 4.13Å; F269-M271 HydrophobicContact CD2-CG 3.92Å; F269-M271 HydrophobicContact CE2-CG 3.36Å; F269-M271 HydrophobicContact CE2-SD 3.66Å; F269-M271 HydrophobicContact CZ-CG 4.18Å; F269-M271 HydrophobicContact CZ-SD 3.95Å
270F98.5Very high97.5Very high19 Ų1963.4 Ų63.48%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-99.4133.4-178.2-64.9-83.3000110.8F186 Y187 V240 L245 A248 K249 M252 F253F186-F270 WeakPolarHBondContact O-CA 3.43Å; Y187-F270 AromaticContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD2 4.23Å; Y187-F270 AromaticContact CD2-CE1 3.28Å; Y187-F270 HydrophobicContact CD2-CE1 3.28Å; Y187-F270 AromaticContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CG 4.12Å; Y187-F270 AromaticContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CD2-CZ 3.41Å; Y187-F270 VanDerWaalsContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CE2-CD1 4.46Å; Y187-F270 HydrophobicContact CE2-CD2 4.34Å; Y187-F270 AromaticContact CE2-CE1 3.89Å; Y187-F270 HydrophobicContact CE2-CE1 3.89Å; Y187-F270 AromaticContact CE2-CE2 3.75Å; Y187-F270 HydrophobicContact CE2-CE2 3.75Å; Y187-F270 AromaticContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CE2-CZ 3.48Å; Y187-F270 VanDerWaalsContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CG-CD1 4.4Å; Y187-F270 AromaticContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CZ 4.33Å; V240-F270 HydrophobicContact CB-CB 3.99Å; V240-F270 HydrophobicContact CG2-CB 3.8Å; V240-F270 PolarHBondContact N-O 3.34Å; L245-F270 HydrophobicContact CD2-CD2 4.37Å; L245-F270 HydrophobicContact CD2-CE2 4.39Å; L245-F270 HydrophobicContact CG-CD2 4.21Å; A248-F270 HydrophobicContact CB-CB 4.26Å; A248-F270 HydrophobicContact CB-CD1 4.2Å; A248-F270 HydrophobicContact CB-CG 4.24Å; K249-F270 HydrophobicContact CB-CE1 4.37Å; K249-F270 HydrophobicContact CB-CE2 4.03Å; K249-F270 HydrophobicContact CB-CZ 3.73Å; K249-F270 HydrophobicContact CG-CE2 4.41Å; K249-F270 HydrophobicContact CG-CZ 3.96Å; M252-F270 HydrophobicContact CB-CE1 3.98Å; M252-F270 HydrophobicContact CG-CD1 4.12Å; M252-F270 HydrophobicContact CG-CE1 3.97Å; F253-F270 HydrophobicContact CE1-CE1 4.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CZ-CZ 4.18Å
271M98.6Very high97.6Very high17 Ų1761 Ų618%0.08431%0.309CS..EExtended strand (participates in β ladder)trans-118.6159169.5-65.3-172.180.400110Y185 F186 V188 L198 M237 V238 F269Y185-M271 CarbonylContact C-O 3.57Å; Y185-M271 WeakPolarHBondContact CA-O 3.16Å; F186-M271 HydrophobicContact CB-CB 4.37Å; F186-M271 PolarHBondContact N-O 3.07Å; F186-M271 PolarHBondContact O-N 2.91Å; V188-M271 HydrophobicContact CG2-CB 4.44Å; V188-M271 HydrophobicContact CG2-CG 3.72Å; V188-M271 HydrophobicContact CG2-SD 3.7Å; L198-M271 HydrophobicContact CD1-CE 4.34Å; L198-M271 HydrophobicContact CD1-SD 4.34Å; M237-M271 HydrophobicContact CB-CE 3.78Å; M237-M271 HydrophobicContact CE-CB 4.26Å; V238-M271 CarbonylContact O-C 3.51Å; V238-M271 VanDerWaalsContact O-CA 3.23Å; V238-M271 WeakPolarHBondContact O-CA 3.45Å; V238-M271 WeakPolarHBondContact O-CB 3.31Å; F269-M271 HydrophobicContact CD2-CG 3.92Å; F269-M271 HydrophobicContact CE2-CG 3.36Å; F269-M271 HydrophobicContact CE2-SD 3.66Å; F269-M271 HydrophobicContact CZ-CG 4.18Å; F269-M271 HydrophobicContact CZ-SD 3.95Å
272K98.6Very high97.5Very high40 Ų4053.5 Ų53.517%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-134.5162.5168.768.3178-172.9-178.80111.1V183 I184 Y185 M237 V238 V240 E244 D274V183-K272 HydrophobicContact CG1-CB 4.01Å; V183-K272 HydrophobicContact CG1-CD 3.97Å; I184-K272 VanDerWaalsContact O-CA 3.25Å; I184-K272 WeakPolarHBondContact O-CA 3.26Å; Y185-K272 HydrophobicContact CD1-CB 3.93Å; Y185-K272 HydrophobicContact CE1-CB 4.11Å; Y185-K272 HydrophobicContact CE1-CD 4.33Å; M237-K272 WeakPolarHBondContact CA-O 3.41Å; V238-K272 HydrophobicContact CG2-CD 4.38Å; V238-K272 HydrophobicContact CG2-CG 3.61Å; V238-K272 PolarHBondContact N-O 3.24Å; V238-K272 PolarHBondContact O-N 2.77Å; V240-K272 HydrophobicContact CG2-CB 4.05Å; V240-K272 HydrophobicContact CG2-CD 4.49Å; V240-K272 HydrophobicContact CG2-CG 4.21Å; E244-K272 IonicContact OE1-NZ 3.44Å; E244-K272 PolarHBondContact OE1-NZ 3.46Å; E244-K272 IonicContact OE2-NZ 3.48Å; E244-K272 PolarHBondContact OE2-NZ 2.95Å; K272-D274 WeakPolarHBondContact CE-OD1 3.24Å
273M98.6Very high97.4Very high3 Ų355 Ų552%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-101.5116.5173.7-171.9177.7-74.300111.1L152 I184 F186 A204 L206 L233 M237 L275L152-M273 HydrophobicContact CD1-CE 3.85Å; I184-M273 PolarHBondContact O-N 3.35Å; F186-M273 HydrophobicContact CE2-CB 4.21Å; F186-M273 HydrophobicContact CZ-CE 4.47Å; A204-M273 HydrophobicContact CB-CE 4.42Å; L206-M273 HydrophobicContact CB-CE 3.85Å; L233-M273 HydrophobicContact CB-SD 4.1Å; M237-M273 HydrophobicContact SD-CB 3.74Å; M237-M273 HydrophobicContact SD-CE 3.55Å; M237-M273 VanDerWaalsContact SD-CE 3.55Å; M237-M273 HydrophobicContact SD-CG 4.01Å; M273-L275 HydrophobicContact CG-CD2 4.01Å; M273-L275 PolarHBondContact O-N 3.01Å; M273-L275 HydrophobicContact SD-CD2 3.84Å
274D98.3Very high97.3Very high71 Ų7156.7 Ų56.738%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-79106.3166.7-67.5-17000108.4G235 K236 K272G235-D274 CarbonylContact C-O 3.44Å; G235-D274 WeakPolarHBondContact CA-O 3.18Å; K236-D274 HydrophobicContact CB-CB 4.5Å; K236-D274 PolarHBondContact N-O 2.76Å; K236-D274 PolarHBondContact O-N 3.35Å; K272-D274 WeakPolarHBondContact CE-OD1 3.24Å
275L98.6Very high97Very high20 Ų2054.2 Ų54.211%0.10529%0.289CS..EExtended strand (participates in β ladder)trans-67.7138.9-172.1-63.3-178000112.6L233 M273 V278 L292 Y295 F296L233-L275 HydrophobicContact CB-CD2 3.79Å; L233-L275 HydrophobicContact CD1-CD2 4.25Å; L233-L275 HydrophobicContact CD2-CD1 4.49Å; L233-L275 HydrophobicContact CD2-CD2 4.33Å; L233-L275 HydrophobicContact CG-CD2 4.35Å; M273-L275 HydrophobicContact CG-CD2 4.01Å; M273-L275 PolarHBondContact O-N 3.01Å; M273-L275 HydrophobicContact SD-CD2 3.84Å; L275-V278 HydrophobicContact CD1-CG2 4.09Å; L275-L292 HydrophobicContact CB-CD2 3.75Å; L275-L292 VanDerWaalsContact O-CD1 3.24Å; L275-L292 WeakPolarHBondContact O-CD1 3.19Å; L275-Y295 HydrophobicContact CD1-CD1 3.81Å; L275-Y295 HydrophobicContact CD1-CE1 3.47Å; L275-Y295 VanDerWaalsContact CD1-CE1 3.47Å; L275-F296 HydrophobicContact CB-CZ 4.46Å; L275-F296 HydrophobicContact CD1-CE1 4.39Å; L275-F296 HydrophobicContact CD1-CE2 4.23Å; L275-F296 HydrophobicContact CD1-CZ 3.71Å; L275-F296 HydrophobicContact CG-CZ 4.21Å
276I98.5Very high96.8Very high97 Ų9753 Ų5350%0.49728%0.276SS..EExtended strand (participates in β ladder)trans-112.9-40.1171.5-64.3167.5000109.8Y203 T234Y203-I276 HydrophobicContact CD1-CD1 3.84Å; Y203-I276 HydrophobicContact CE1-CD1 3.67Å; T234-I276 WeakPolarHBondContact O-CA 3.29Å; T234-I276 WeakPolarHBondContact O-CB 3.23Å; T234-I276 PolarHBondContact O-N 3.35Å
277Q98.5Very high96.7Very high84 Ų8453 Ų5339%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-144.2139.4-179-179.3173.583.700111.4T234 I289T234-Q277 PolarHBondContact N-O 2.91Å; T234-Q277 PolarHBondContact O-N 3.41Å; Q277-I289 HydrophobicContact CG-CG2 4.38Å
278V98.8Very high96.7Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-113.5112.9170-179.30000107.4A140 L231 L233 L275 I290 L292 Y295A140-V278 HydrophobicContact CB-CG1 4.1Å; L231-V278 HydrophobicContact CD1-CG1 3.8Å; L233-V278 HydrophobicContact CD2-CB 4.27Å; L233-V278 HydrophobicContact CD2-CG1 3.92Å; L233-V278 HydrophobicContact CD2-CG2 3.89Å; L275-V278 HydrophobicContact CD1-CG2 4.09Å; V278-I290 HydrophobicContact CB-CB 4.05Å; V278-I290 HydrophobicContact CG1-CB 3.93Å; V278-I290 HydrophobicContact CG1-CD1 3.92Å; V278-I290 HydrophobicContact CG1-CG1 4.34Å; V278-I290 PolarHBondContact O-N 3.33Å; V278-L292 HydrophobicContact CG2-CD2 3.77Å; V278-Y295 HydrophobicContact CG1-CD2 3.99Å; V278-Y295 HydrophobicContact CG1-CE2 4.47Å; V278-Y295 HydrophobicContact CG2-CD1 4.44Å; V278-Y295 HydrophobicContact CG2-CD2 4.07Å; V278-Y295 HydrophobicContact CG2-CG 3.98Å
279W98.5Very high96.7Very high57 Ų5748.9 Ų48.922%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-111.1126178.4-177.9104.3000109.1R230 T232 Q281 V287 I289R230-W279 HydrophobicContact CB-CZ3 4.49Å; T232-W279 PolarHBondContact N-O 3.13Å; T232-W279 PolarHBondContact O-N 2.89Å; W279-Q281 HydrophobicContact CE3-CB 4.38Å; W279-Q281 HydrophobicContact CH2-CB 3.4Å; W279-Q281 HydrophobicContact CH2-CG 4.22Å; W279-Q281 HydrophobicContact CZ2-CB 4.27Å; W279-Q281 HydrophobicContact CZ3-CB 3.46Å; W279-Q281 VanDerWaalsContact CZ3-CB 3.46Å; W279-V287 HydrophobicContact CH2-CG1 3.92Å; W279-V287 HydrophobicContact CZ2-CB 3.91Å; W279-V287 HydrophobicContact CZ2-CG1 3.14Å; W279-I289 HydrophobicContact CB-CD1 4.35Å; W279-I289 VanDerWaalsContact CD1-CD1 3.42Å; W279-I289 HydrophobicContact CG-CD1 4.18Å
280L98.4Very high96.7Very high0 Ų047.2 Ų47.20%027%0.265CS..EExtended strand (participates in β ladder)trans-126.5131-178.1179.169.6000110.4T136 T139 I143 L231 D282 V287 S288 I290T136-L280 HydrophobicContact CG2-CD2 4.43Å; T136-L280 WeakPolarHBondContact O-CD2 3.46Å; T139-L280 HydrophobicContact CG2-CD1 4.34Å; T139-L280 HydrophobicContact CG2-CD2 4.17Å; I143-L280 HydrophobicContact CD1-CD1 3.77Å; L231-L280 HydrophobicContact CB-CD1 4.42Å; L231-L280 HydrophobicContact CD1-CD1 4.4Å; L280-D282 HydrophobicContact CD1-CB 4.1Å; L280-D282 HydrophobicContact CD2-CB 4.09Å; L280-D282 HydrophobicContact CG-CB 3.94Å; L280-V287 CarbonylContact O-C 3.53Å; L280-V287 WeakPolarHBondContact O-CA 3.48Å; L280-S288 PolarHBondContact N-O 3.31Å; L280-S288 PolarHBondContact O-N 3.14Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CD2-CD1 3.86Å; L280-I290 HydrophobicContact CG-CD1 4.49Å
281Q97.3Very high96.7Very high20 Ų2049.2 Ų49.29%0.09328%0.28CS..EExtended strand (participates in β ladder)trans-119.5101.6167175.561.977.600108.1A229 R230 W279 W283 G286 V287A229-Q281 CarbonylContact C-O 3.49Å; A229-Q281 WeakPolarHBondContact CA-O 3.31Å; R230-Q281 PolarHBondContact N-O 2.84Å; R230-Q281 PolarHBondContact O-N 2.83Å; W279-Q281 HydrophobicContact CE3-CB 4.38Å; W279-Q281 HydrophobicContact CH2-CB 3.4Å; W279-Q281 HydrophobicContact CH2-CG 4.22Å; W279-Q281 HydrophobicContact CZ2-CB 4.27Å; W279-Q281 HydrophobicContact CZ3-CB 3.46Å; W279-Q281 VanDerWaalsContact CZ3-CB 3.46Å; Q281-W283 PolarHBondContact NE2-O 2.97Å; Q281-G286 PolarHBondContact NE2-O 2.86Å; Q281-G286 VanDerWaalsContact NE2-O 3.09Å; Q281-G286 PolarHBondContact OE1-O 2.87Å; Q281-V287 HydrophobicContact CB-CG1 4.42Å
282D95.4Very high96.7Very high12 Ų1251 Ų516%0.06429%0.29CS..  trans-130.7-7-174.166.8-26.5000114.1T139 P226 A229 L280T139-D282 HydrophobicContact CG2-CB 4.13Å; P226-D282 CarbonylContact O-C 3.58Å; P226-D282 WeakPolarHBondContact O-CA 3.44Å; A229-D282 HydrophobicContact CB-CB 3.7Å; L280-D282 HydrophobicContact CD1-CB 4.1Å; L280-D282 HydrophobicContact CD2-CB 4.09Å; L280-D282 HydrophobicContact CG-CB 3.94Å
283W95.4Very high96.7Very high106 Ų10656.1 Ų56.140%0.40232%0.315SS..SBendtrans-150.7165176-158.9-110.2000113.9H133 P226 R227 Q281H133-W283 HydrophobicContact CB-CB 4.21Å; H133-W283 HydrophobicContact CB-CE3 4.28Å; H133-W283 AromaticContact CD2-CD1 3.84Å; H133-W283 AromaticContact CD2-CD2 3.88Å; H133-W283 AromaticContact CD2-CG 3.53Å; H133-W283 AromaticContact CE1-CD2 3.81Å; H133-W283 AromaticContact CE1-CE2 3.74Å; H133-W283 AromaticContact CG-CD2 3.85Å; H133-W283 AromaticContact CG-CE3 3.95Å; H133-W283 AromaticContact CG-CG 3.89Å; H133-W283 AromaticContact ND1-CD2 3.81Å; H133-W283 AromaticContact ND1-CE3 3.81Å; H133-W283 AromaticContact NE2-CD1 3.68Å; H133-W283 AromaticContact NE2-CD2 3.89Å; H133-W283 AromaticContact NE2-CE2 3.92Å; H133-W283 AromaticContact NE2-CG 3.76Å; H133-W283 AromaticContact NE2-NE1 3.77Å; P226-W283 PolarHBondContact O-N 3.18Å; R227-W283 HydrophobicContact CB-CZ3 4.43Å; R227-W283 HydrophobicContact CG-CE3 3.9Å; R227-W283 HydrophobicContact CG-CH2 4.45Å; R227-W283 HydrophobicContact CG-CZ3 3.84Å; Q281-W283 PolarHBondContact NE2-O 2.97Å
284I93.5Very high96.7Very high109 Ų10959.6 Ų59.656%0.55933%0.333SS*.THydrogen-bonded Turntrans-67.5136.9174.5-54.5167.3000109P226 R227P226-I284 HydrophobicContact CB-CG1 4.31Å; R227-I284 HydrophobicContact CG-CG1 4.34Å
285G87.6Confident96.7Very high85 Ų8556.2 Ų56.288%0.87632%0.315SS*.THydrogen-bonded Turntrans117.8-0.317700000114.4
286G89.9Confident96.7Very high41 Ų4159.3 Ų59.342%0.42333%0.328SS..  trans129-162.4170.600000112.4Q281Q281-G286 PolarHBondContact NE2-O 2.86Å; Q281-G286 VanDerWaalsContact NE2-O 3.09Å; Q281-G286 PolarHBondContact OE1-O 2.87Å
287V95.2Very high96.6Very high71 Ų7163.3 Ų63.343%0.4334%0.342SS..  trans-109.6147.6-173.3-56.70000109.5W279 L280 Q281W279-V287 HydrophobicContact CH2-CG1 3.92Å; W279-V287 HydrophobicContact CZ2-CB 3.91Å; W279-V287 HydrophobicContact CZ2-CG1 3.14Å; L280-V287 CarbonylContact O-C 3.53Å; L280-V287 WeakPolarHBondContact O-CA 3.48Å; Q281-V287 HydrophobicContact CB-CG1 4.42Å
288S97.2Very high96.6Very high35 Ų3560.5 Ų60.525%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-102.8126.2174.2-64.10000109.8L280L280-S288 PolarHBondContact N-O 3.31Å; L280-S288 PolarHBondContact O-N 3.14Å
289I98.1Very high96.3Very high97 Ų9763.9 Ų63.950%0.49735%0.353SS..EExtended strand (participates in β ladder)trans-97.4109.4167.1-53.9-57.7000107.1Q277 W279Q277-I289 HydrophobicContact CG-CG2 4.38Å; W279-I289 HydrophobicContact CB-CD1 4.35Å; W279-I289 VanDerWaalsContact CD1-CD1 3.42Å; W279-I289 HydrophobicContact CG-CD1 4.18Å
290I98.4Very high96Very high7 Ų761.4 Ų61.44%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-92.7126.9-171.7-57168.8000108.7T136 A137 A140 V278 L280 D294T136-I290 WeakPolarHBondContact O-CD1 3.34Å; A137-I290 HydrophobicContact CB-CG2 3.92Å; A140-I290 HydrophobicContact CB-CD1 3.58Å; V278-I290 HydrophobicContact CB-CB 4.05Å; V278-I290 HydrophobicContact CG1-CB 3.93Å; V278-I290 HydrophobicContact CG1-CD1 3.92Å; V278-I290 HydrophobicContact CG1-CG1 4.34Å; V278-I290 PolarHBondContact O-N 3.33Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CD2-CD1 3.86Å; L280-I290 HydrophobicContact CG-CD1 4.49Å; I290-D294 HydrophobicContact CG2-CB 4.28Å
291P98.4Very high95.3Very high61 Ų6166.4 Ų66.440%0.39637%0.367SS..  trans-57.6138.6171.5-24.535.4000111.3E293 D294 Y295P291-E293 HydrophobicContact CB-CG 3.93Å; P291-E293 PolarHBondContact O-N 3.07Å; P291-D294 HydrophobicContact CB-CB 4.4Å; P291-D294 WeakPolarHBondContact CG-OD2 3.33Å; P291-D294 PolarHBondContact O-N 3.44Å; P291-D294 VanDerWaalsContact O-N 3.07Å; P291-Y295 PolarHBondContact O-N 3.24Å
292L98.4Very high95.2Very high55 Ų5568.8 Ų68.829%0.28838%0.38SS..Hα-helixtrans-59-36.8-179-61.1-177.6000112L275 V278 D294 Y295 F296L275-L292 HydrophobicContact CB-CD2 3.75Å; L275-L292 VanDerWaalsContact O-CD1 3.24Å; L275-L292 WeakPolarHBondContact O-CD1 3.19Å; V278-L292 HydrophobicContact CG2-CD2 3.77Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 2.95Å; L292-Y295 PolarHBondContact O-N 3.11Å; L292-F296 HydrophobicContact CB-CD2 4.35Å; L292-F296 HydrophobicContact CB-CE2 4.34Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.07Å
293E98.1Very high95.2Very high148 Ų14871.7 Ų71.769%0.69240%0.397SS*.Hα-helixtrans-59.1-42.117660.9-172.6174.600112.5P291 K297P291-E293 HydrophobicContact CB-CG 3.93Å; P291-E293 PolarHBondContact O-N 3.07Å; E293-K297 WeakPolarHBondContact O-CB 3.38Å; E293-K297 PolarHBondContact O-N 2.86Å
294D98.3Very high95.2Very high75 Ų7569.8 Ų69.840%0.40140%0.397SS..Hα-helixtrans-70.4-41.4178.6-69.6-26.1000111.1A137 I290 P291 L292 K297 A298A137-D294 HydrophobicContact CB-CB 4.13Å; I290-D294 HydrophobicContact CG2-CB 4.28Å; P291-D294 HydrophobicContact CB-CB 4.4Å; P291-D294 WeakPolarHBondContact CG-OD2 3.33Å; P291-D294 PolarHBondContact O-N 3.44Å; P291-D294 VanDerWaalsContact O-N 3.07Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 2.95Å; D294-K297 PolarHBondContact O-N 3.26Å; D294-A298 WeakPolarHBondContact O-CB 3.4Å; D294-A298 PolarHBondContact O-N 3.5Å
295Y98.6Very high95.3Very high0 Ų067.5 Ų67.50%039%0.387CS..Hα-helixtrans-59.6-48.1176.2173.9-94000112.1A140 R141 G182 L233 L275 V278 P291 L292 A298A140-Y295 HydrophobicContact CB-CD2 4.01Å; A140-Y295 HydrophobicContact CB-CE2 4.16Å; R141-Y295 VanDerWaalsContact CD-O 3.29Å; R141-Y295 WeakPolarHBondContact CD-O 3.31Å; R141-Y295 HydrophobicContact CG-CD2 3.94Å; R141-Y295 HydrophobicContact CG-CE2 3.89Å; R141-Y295 HydrophobicContact CG-CG 4.46Å; R141-Y295 VanDerWaalsContact CG-O 3.23Å; R141-Y295 WeakPolarHBondContact CG-O 3.25Å; R141-Y295 PolarHBondContact NH1-O 2.75Å; G182-Y295 VanDerWaalsContact O-CE1 3.26Å; G182-Y295 WeakPolarHBondContact O-CE1 3.28Å; G182-Y295 PolarHBondContact O-OH 2.87Å; L233-Y295 HydrophobicContact CD2-CE2 4.44Å; L275-Y295 HydrophobicContact CD1-CD1 3.81Å; L275-Y295 HydrophobicContact CD1-CE1 3.47Å; L275-Y295 VanDerWaalsContact CD1-CE1 3.47Å; V278-Y295 HydrophobicContact CG1-CD2 3.99Å; V278-Y295 HydrophobicContact CG1-CE2 4.47Å; V278-Y295 HydrophobicContact CG2-CD1 4.44Å; V278-Y295 HydrophobicContact CG2-CD2 4.07Å; V278-Y295 HydrophobicContact CG2-CG 3.98Å; P291-Y295 PolarHBondContact O-N 3.24Å; L292-Y295 PolarHBondContact O-N 3.11Å; Y295-A298 PolarHBondContact O-N 2.99Å
296F98Very high95.8Very high86 Ų8666.4 Ų66.438%0.37736%0.356SS..Hα-helixtrans-74.5-25.9-179.5-72.7-62000113R141 V183 L275 L292R141-F296 PolarHBondContact NH1-O 3.04Å; V183-F296 HydrophobicContact CG2-CE1 3.87Å; L275-F296 HydrophobicContact CB-CZ 4.46Å; L275-F296 HydrophobicContact CD1-CE1 4.39Å; L275-F296 HydrophobicContact CD1-CE2 4.23Å; L275-F296 HydrophobicContact CD1-CZ 3.71Å; L275-F296 HydrophobicContact CG-CZ 4.21Å; L292-F296 HydrophobicContact CB-CD2 4.35Å; L292-F296 HydrophobicContact CB-CE2 4.34Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.07Å
297K97.6Very high96.2Very high181 Ų18168.1 Ų68.179%0.78735%0.352SS*.Hα-helixtrans-77.9-26.7175.4-173177.4178.8-175.40113.3E293 D294E293-K297 WeakPolarHBondContact O-CB 3.38Å; E293-K297 PolarHBondContact O-N 2.86Å; D294-K297 PolarHBondContact O-N 3.26Å
298A96.7Very high96.3Very high24 Ų2467.9 Ų67.920%0.19835%0.346CS..  trans-68.7163.5177.600000112.5A137 R141 D294 Y295A137-A298 HydrophobicContact CB-CB 3.96Å; R141-A298 HydrophobicContact CG-CB 4.04Å; R141-A298 PolarHBondContact NH1-O 3.49Å; D294-A298 WeakPolarHBondContact O-CB 3.4Å; D294-A298 PolarHBondContact O-N 3.5Å; Y295-A298 PolarHBondContact O-N 2.99Å
299T93.4Very high96.2Very high72 Ų7270.5 Ų70.544%0.44235%0.354SS..  trans-124.5140174.5170.80000109.3R138 F301R138-T299 WeakPolarHBondContact CG-O 3.11Å; T299-F301 PolarHBondContact O-N 3.37Å; T299-F301 WeakPolarHBondContact OG1-CD2 2.92Å; T299-F301 PolarHBondContact OG1-N 2.99Å
300P91.2Very high96Very high4 Ų468.3 Ų68.33%0.02634%0.342CS..  trans-74.9-8.317832.8-37.5000113.8R141 H145R141-P300 HydrophobicContact CB-CB 4.3Å; H145-P300 HydrophobicContact CB-CB 3.72Å; H145-P300 HydrophobicContact CB-CG 3.97Å
301F85.5Confident95.8Very high106 Ų10673.8 Ų73.847%0.46537%0.37SS..  trans-93.50-176.1-48.4-61.6000113.2R138 H145 L177 T299R138-F301 PolarHBondContact NE-O 3.43Å; R138-F301 VanDerWaalsContact NH2-C 3.29Å; R138-F301 PolarHBondContact NH2-O 3.32Å; R138-F301 PolarHBondContact NH2-OXT 2.84Å; R138-F301 VanDerWaalsContact NH2-OXT 3.11Å; H145-F301 AromaticContact CD2-CE1 3.8Å; H145-F301 AromaticContact NE2-CE1 3.5Å; H145-F301 WeakPolarHBondContact NE2-CE1 3.4Å; H145-F301 AromaticContact NE2-CZ 3.6Å; L177-F301 VanDerWaalsContact O-CE1 3.28Å; L177-F301 WeakPolarHBondContact O-CE1 3.46Å; L177-F301 WeakPolarHBondContact O-CZ 3.13Å; T299-F301 PolarHBondContact O-N 3.37Å; T299-F301 WeakPolarHBondContact OG1-CD2 2.92Å; T299-F301 PolarHBondContact OG1-N 2.99Å

Retrieved 301 of 301 residues in 196.6 ms (Link to these results)