C4QPK4_SCHMA Loading...

Eukaryotic translation initiation factor 2 subunit 2

AlphaFold DB , UniProt , Accession C4QPK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 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
1M42.6Very low46.2Very low240 Ų240156.7 Ų156.7100%1.18282%0.82SS**  0117.50-68.3-177.4-162.900106
2A46.2Very low46.1Very low83 Ų83160.3 Ų160.369%0.68682%0.824SS**  trans47.1121.4150.200000117.7
3D48.5Very low45.4Very low150 Ų150163.2 Ų163.280%0.80283%0.827SS**  cis-163.7158.323.1-79.6-41.3000111.3
4D43.6Very low45.1Very low140 Ų140166.6 Ų166.675%0.74983%0.833SS**  trans-51.8167.1174.5-59.4-62.8000115.9
5I58.8Low44.3Very low149 Ų149169.2 Ų169.276%0.76484%0.837SS**  168.5105.1117-83152.4000112.7
6L53.4Low43.8Very low162 Ų162164.6 Ų164.685%0.84883%0.834SS**  trans61.697.5132.2-51.9177.4000121.2
7D39.6Very low43.5Very low171 Ų171166.5 Ų166.591%0.91484%0.835SS**  trans-83.7127.5152.7-116.5-21.1000110.1
8F45.5Very low43Very low183 Ų183164.2 Ų164.280%0.80383%0.834SS**  trans-115.892.7171.9-170.5-96000109.9
9E39.2Very low42.7Very low157 Ų157164.7 Ų164.773%0.73484%0.838SS**  trans-65.7134.1155.4-73.2-167.1128.800109.5
10S48.4Very low42.3Very low106 Ų106161.8 Ų161.874%0.74183%0.828SS**  trans-171.5118.5132.5-86.90000114.8
11K42.7Very low42.1Very low183 Ų183162.4 Ų162.480%0.79683%0.828SS**  trans-44145.1165.2-65151.2175.6159.10116
12K44.1Very low41.9Very low200 Ų200156.7 Ų156.787%0.8780%0.802SS**  161.1108.8124.5-90.7168.4178175.20110.3
13K37.7Very low41.6Very low198 Ų198162.4 Ų162.486%0.86181%0.811SS**  44.1104.482.8-90.9-171.3-178.6178.40116.1
14K40.5Very low40.9Very low211 Ų211164.4 Ų164.492%0.91781%0.813SS**  165.2159.9105.6-94.4178.8178.8-178.50113.5
15K34.3Very low40.7Very low205 Ų205165.3 Ų165.389%0.89182%0.818SS**  trans-101.2158.3-161.2-120.7178.5178.7-1790113.4
16A36.4Very low39.6Very low95 Ų95166.2 Ų166.279%0.78582%0.819SS**  trans75.1144.9151.500000117.5
17K37.2Very low38.7Very low197 Ų197164.5 Ų164.586%0.85782%0.815SS**  cis-149.5165.723.2-90.4173.8173.8173.90110.6
18P34.9Very low38.6Very low125 Ų125164.1 Ų164.181%0.81281%0.813SS**  trans-93.8157.6-177.737.3-31.1000113.3
19L37.7Very low38.2Very low174 Ų174163 Ų16391%0.91182%0.815SS**  trans-143143.9170.1-116.8165.2000110.9
20V35.5Very low38.5Very low106 Ų106163 Ų16364%0.64282%0.82SS**  trans-82.2151.3-162.6178.80000111.7D22V20-D22 WeakPolarHBondContact CG1-OD2 3.45Å
21H38.2Very low38.1Very low176 Ų176162.2 Ų162.282%0.81582%0.82SS**  trans-148.6116.6139-130.8-17.7000112.5
22D36.9Very low38.1Very low120 Ų120160.5 Ų160.564%0.64282%0.819SS**  trans-60.7141.7168.1-62-80000113V20V20-D22 WeakPolarHBondContact CG1-OD2 3.45Å
23F40.3Very low38Very low202 Ų202159.9 Ų159.989%0.88682%0.82SS**  trans-135117.4150.3-85.1-80.8000107.8
24K34.7Very low38.3Very low193 Ų193158 Ų15884%0.83982%0.819SS**  trans-137.8112.4179.1-149.8-177.4-166.5178.40105.1
25D37.9Very low38.4Very low158 Ų158155.1 Ų155.185%0.84581%0.812SS**  trans179.3130.5170.9-87.7-23.7000103.9
26E37.4Very low38.9Very low169 Ų169152.7 Ų152.779%0.7981%0.808SS**  cis-145.9156.95.5-69-159.6119.400109
27T34.3Very low39.3Very low126 Ų126155.1 Ų155.177%0.77381%0.807SS**  trans-77125.9164.841.70000110.5
28D37.1Very low39.6Very low162 Ų162155 Ų15587%0.86681%0.807SS**  trans-130.5105154.2-89.8-29.7000109.4
29N37.8Very low40.1Very low159 Ų159152 Ų15285%0.8580%0.799SS**  trans-73.2118.7161.4-85.5-53000107.9
30L44.2Very low40.2Very low158 Ų158149.4 Ų149.483%0.82780%0.795SS**  trans-133.9110.3150.7-139.382000109.1N32L30-N32 PolarHBondContact O-N 3.21Å
31A39.8Very low40.9Very low89 Ų89154.3 Ų154.374%0.73681%0.808SS**  trans-55.9129.7165.400000109.7
32N43.5Very low41.1Very low148 Ų148155.5 Ų155.579%0.79181%0.811SS**  trans-146.2107.8147.5-88.7-35.9000107.7L30 D34L30-N32 PolarHBondContact O-N 3.21Å; N32-D34 PolarHBondContact O-N 3.36Å
33Q41.5Very low41.4Very low187 Ų187159.5 Ų159.587%0.87482%0.822SS**  trans-69.2115.6164.6-71.5170.6-13.900107.3
34D43.5Very low41.4Very low157 Ų157160.2 Ų160.284%0.8483%0.825SS**  trans-117100.2154.9-88-33.4000108.5N32N32-D34 PolarHBondContact O-N 3.36Å
35I43.1Very low41.5Very low151 Ų151159 Ų15977%0.77482%0.82SS**  trans-77.7110.1174.7-162.2163.5000107.5
36L46.1Very low41.6Very low155 Ų155159 Ų15981%0.81282%0.82SS**  trans-12483166.6-70.6178.5000108.6
37D43.2Very low41.6Very low145 Ų145158.9 Ų158.978%0.77582%0.817SS**  trans-77.5109.9170.9-172.519.6000109.4G39D37-G39 PolarHBondContact O-N 2.81Å
38F44.4Very low41.7Very low195 Ų195159.3 Ų159.386%0.85581%0.814SS**  trans-90.591.4173.8-98.5-87.8000110
39G44.6Very low41.5Very low61 Ų61159 Ų15963%0.62981%0.811SS**  trans47.391.1133.100000116.7D37 K41D37-G39 PolarHBondContact O-N 2.81Å; G39-K41 PolarHBondContact O-N 3.3Å
40S41.1Very low41Very low120 Ų120156 Ų15684%0.83980%0.803SS**  trans-51.8116.3165.6-27.90000111.7
41K48.9Very low41Very low209 Ų209156.9 Ų156.991%0.90981%0.807SS**  trans-108100160.4-85.2-177.4178.1171.40110.2G39G39-K41 PolarHBondContact O-N 3.3Å
42K43.4Very low40.9Very low202 Ų202158.8 Ų158.888%0.87881%0.805SS**  trans-36.5128.7157.5-90.4167.6165.7165.10112.3
43K42.8Very low40.6Very low203 Ų203158.8 Ų158.888%0.88381%0.805SS**  -176.4124.8120.3-102.5168.9-178.1178.20114
44K40.9Very low40.6Very low217 Ų217156.6 Ų156.694%0.94380%0.804SS**  trans77.2141.3152.6-82.7-177171.9-175.70120.4
45K35.3Very low40.3Very low168 Ų168152.4 Ų152.473%0.7380%0.798SS**  trans-131.3133.5-156.2160-174.1-178.6174.30106
46D41.8Very low39.7Very low158 Ų158152.2 Ų152.285%0.84580%0.799SS**  trans-155.3103.1150.1-81.5-41.9000105
47K36Very low39.5Very low166 Ų166154.7 Ų154.772%0.72280%0.803SS**  48.5129.695.3-90.4-175.2175.9-176.40111.7
48L36Very low39Very low136 Ų136155.3 Ų155.371%0.71280%0.801SS**  cis-179.3128.120-167.990.1000103
49L34.6Very low38.7Very low155 Ų155153.9 Ų153.981%0.81280%0.802SS**  163.6122.798.8-87159.8000107.1
50S26.9Very low38.3Very low97 Ų97159.6 Ų159.668%0.67881%0.813SS**  trans-116.8140163.248.10000107.6
51L43.6Very low38.2Very low175 Ų175158.7 Ų158.792%0.91680%0.804SS**  trans-114.2110.3163.7-129.193000106.8
52D36.9Very low37.4Very low129 Ų129157.5 Ų157.569%0.6980%0.802SS**  trans-64.7166.6161.3-45.4-61.2000108
53D39Very low36.8Very low149 Ų149156.2 Ų156.280%0.79780%0.796SS**  cis-172.9-175.627.2-154.1-60.2000105.8
54V40.5Very low36.4Very low141 Ų141153.1 Ų153.186%0.85579%0.785SS**  trans113.283.4168-169.70000113.9
55G36.7Very low35.9Very low68 Ų68149.7 Ų149.770%0.70177%0.772SS**  96.991.8102.600000118.4
56N31.8Very low36Very low148 Ų148149.9 Ų149.979%0.79177%0.773SS**  trans-42.7143.7160.1-93.4-10.6000115
57K40.4Very low35.3Very low207 Ų207150.1 Ų150.190%0.977%0.774SS**  -168.4142.8114.3-102.9168.6-175.1174.20112.2
58E32.7Very low35.4Very low158 Ų158147.5 Ų147.574%0.73877%0.774SS**  trans-71.5153.6-172.3-62156177.100112.2
59D37.8Very low35.4Very low165 Ų165146.8 Ų146.888%0.88278%0.775SS**  trans170.1111.4132.2-79-28.5000110.6
60E37.9Very low35.5Very low181 Ų181146 Ų14685%0.84677%0.768SS**  trans-72.9175.5166-78.3-85.614600111
61P38.3Very low36.3Very low100 Ų100147.2 Ų147.265%0.64977%0.767SS**  cis-140.8-175.5-930.3-5.8000115.7
62E32.6Very low36.2Very low185 Ų185141.6 Ų141.686%0.86475%0.751SS**  trans77.8114.1157.7-56.9-16316000120.8
63F30.3Very low36.4Very low175 Ų175140.9 Ų140.977%0.76875%0.751SS**  155.2116.8121.7-162-101.3000112.7
64H34.4Very low36.7Very low138 Ų138138.8 Ų138.864%0.63974%0.735SS**  trans68.7130.7150.7-78.6-116.5000124
65E31Very low37.1Very low144 Ų144138.9 Ų138.967%0.67373%0.726SS**  trans79135.5142.9-80.5-167.8163.500121.9
66K35.8Very low37.7Very low172 Ų172141.9 Ų141.975%0.74873%0.725SS**  trans101.9124.4145.7-71.3146.1177.7148.90119.2
67D28.6Very low38.5Very low163 Ų163139 Ų13987%0.87271%0.713SS**  trans-55.8140.1172.4-56-72.8000113.2
68P37.2Very low39Very low111 Ų111135.6 Ų135.672%0.72170%0.7SS**  trans-114134.7159.140.3-29.2000107.2
69T35.8Very low40Very low121 Ų121136.3 Ų136.374%0.74270%0.701SS**  cis-172.4121.542.639.90000108.2N71T69-N71 VanDerWaalsContact C-N 3.35Å
70E37Very low40.6Very low139 Ų139135.4 Ų135.465%0.6570%0.695SS**  trans-91.913.8168-76.8-165.9161.100113.4G72 K74E70-G72 PolarHBondContact O-N 3.47Å; E70-K74 IonicContact OE2-NZ 3.96Å; E70-K74 PolarHBondContact OE2-NZ 2.96Å
71N44Very low41.2Very low123 Ų123129.7 Ų129.766%0.65868%0.679SS**THydrogen-bonded Turntrans-90.62.7-164.8-67.6-12.8000115.5T69T69-N71 VanDerWaalsContact C-N 3.35Å
72G40.3Very low41.7Very low57 Ų57131.1 Ų131.159%0.58868%0.681SS**THydrogen-bonded Turntrans-95.1-23.6178.500000115.4E70E70-G72 PolarHBondContact O-N 3.47Å
73V42.5Very low42.7Very low114 Ų114130.6 Ų130.669%0.69168%0.679SS**THydrogen-bonded Turntrans-95.4-21.5-170.1-171.70000112.2T77V73-T77 PolarHBondContact O-OG1 3.47Å
74K44.5Very low43.4Very low104 Ų104129.2 Ų129.245%0.45268%0.679SS.*Hα-helixtrans-76.9-25.9-176.4-64.8174.5-175165.80113.5E70 L76 T77E70-K74 IonicContact OE2-NZ 3.96Å; E70-K74 PolarHBondContact OE2-NZ 2.96Å; K74-L76 PolarHBondContact O-N 3.28Å; K74-T77 PolarHBondContact O-OG1 3.41Å; K74-T77 VanDerWaalsContact O-OG1 3.06Å
75Q48.9Very low43.7Very low143 Ų143129 Ų12967%0.66868%0.683SS**Hα-helixtrans-78-16.5-179.7-71.7-176.87.100114.9
76L49.2Very low44Very low131 Ų131132 Ų13269%0.68669%0.693SS**Hα-helixtrans-94.2-22.2177.3-69.3172.4000112.6K74K74-L76 PolarHBondContact O-N 3.28Å
77T48.3Very low44.2Very low88 Ų88128.7 Ų128.754%0.5469%0.692SS.*Hα-helixtrans-81.9-26.7177.245.30000113.2V73 K74V73-T77 PolarHBondContact O-OG1 3.47Å; K74-T77 PolarHBondContact O-OG1 3.41Å; K74-T77 VanDerWaalsContact O-OG1 3.06Å
78E51.3Low45Very low135 Ų135127.9 Ų127.963%0.63169%0.688SS**SBendtrans-76.4-27.2179-73.2174.2172.300112.8
79K54Low45.2Very low174 Ų174131.8 Ų131.876%0.75769%0.693SS**SBendtrans-82.8-12.2179.6-69.4-176.1178.1179.40115.1
80L49.7Very low45.5Very low145 Ų145135.6 Ų135.676%0.75970%0.7SS**SBendtrans-100.2-8.5177.9-75.2165000112.9
81A51.4Low45.8Very low61 Ų61138.9 Ų138.950%0.50471%0.712SS.*SBendtrans-86.3-16.5179.900000113.7
82D49.8Very low45.5Very low130 Ų130142.2 Ų142.270%0.69572%0.72SS**THydrogen-bonded Turntrans-89.2-4.2-172.7-75.6-22.6000115.1
83E52.4Low45.6Very low174 Ų174150.7 Ų150.781%0.81374%0.735SS**THydrogen-bonded Turntrans-1065.2-176.6-69.8-102.6138.200114.4
84L44.8Very low45.4Very low147 Ų147155.2 Ų155.277%0.7775%0.745SS**  trans-130.734.9-177.1-63.8176000114.5F86L84-F86 PolarHBondContact O-N 3.4Å
85N41Very low45Very low134 Ų134159.3 Ų159.372%0.71776%0.763SS**  trans-93.981.3172-91.3-45.5000111.9S87N85-S87 PolarHBondContact O-N 2.95Å
86F38.1Very low44.8Very low205 Ų205161 Ų16190%0.89977%0.769SS**  trans-82.491159.7-87.4-88.4000109.3L84L84-F86 PolarHBondContact O-N 3.4Å
87S39.7Very low44.2Very low104 Ų104160 Ų16073%0.72777%0.77SS**  trans-79.5110.6171.453.90000110.9N85N85-S87 PolarHBondContact O-N 2.95Å
88D44.5Very low44.1Very low145 Ų145162.6 Ų162.678%0.77578%0.779SS**  trans-143.5108.7153.4-97.5-45.4000112.2
89K42.7Very low43.6Very low193 Ų193164 Ų16484%0.83979%0.785SS**  trans4688.8148.7-70166.4-177.4157.60118.7K91K89-K91 PolarHBondContact O-N 3.19Å
90K41.8Very low43.3Very low202 Ų202162 Ų16288%0.87879%0.787SS**  trans-72.3108.8164.7-154.2170.4-167.7168.10111.5
91K42.8Very low42.8Very low207 Ų207161.5 Ų161.590%0.979%0.786SS**  trans-94.9113.5160.2-123.1178-175.61770108.4K89 R93K89-K91 PolarHBondContact O-N 3.19Å; K91-R93 PolarHBondContact O-N 3.32Å
92K39Very low42.3Very low193 Ų193167.9 Ų167.984%0.83981%0.805SS**  trans-68.1119.9177-76.9176.4174.41750110.5
93R40.7Very low41.7Very low235 Ų235168.8 Ų168.889%0.88781%0.81SS**  trans-115.9129.8154.8-67-175.591.3-1704.9108.4K91K91-R93 PolarHBondContact O-N 3.32Å
94K39.9Very low40.8Very low209 Ų209164.6 Ų164.691%0.90981%0.813SS**PPolyproline II helixtrans-74.3128.9177.6-66.6177.5176.5-179.90108.6
95F36Very low40.5Very low190 Ų190163.5 Ų163.583%0.83381%0.812SS**PPolyproline II helixtrans-82.1127.5171.3-159.3-97.4000108.6
96K42.9Very low40.3Very low180 Ų180163.4 Ų163.478%0.78382%0.821SS**PPolyproline II helixtrans-99.6139.8166.6-74.5-176.3177.1-175.50107.6
97P37.2Very low40.1Very low109 Ų109162.1 Ų162.171%0.70882%0.817SS**PPolyproline II helixtrans-66.6140.818028-32000110.5
98I47.4Very low40.2Very low142 Ų142164.3 Ų164.373%0.72882%0.82SS**PPolyproline II helixtrans-91.9117.5172.9-64.6168.9000106.8
99E40.5Very low39.9Very low164 Ų164164.2 Ų164.277%0.76682%0.82SS**PPolyproline II helixtrans-83.8130.9168.9-66.3175.4178.400107.7
100V46.5Very low39.5Very low133 Ų133162.4 Ų162.481%0.80682%0.819SS**  trans-103.4101.7-178.1-174.40000107.9
101D39.1Very low39.5Very low135 Ų135158.4 Ų158.472%0.72281%0.812SS**  trans-88.7146.9170.9-67.4-35.5000110.6N103D101-N103 PolarHBondContact O-N 3.49Å
102E40.8Very low39.2Very low195 Ų195154.4 Ų154.491%0.91181%0.81SS**SBendtrans-68.621.3-159.2-60.3-177.4138.400117.7
103N39Very low39.5Very low149 Ų149153.7 Ų153.780%0.79781%0.81SS**SBendtrans-130.9100.2-179.3-67.2-45.5000110.9D101 V105D101-N103 PolarHBondContact O-N 3.49Å; N103-V105 PolarHBondContact O-N 3.32Å
104G32.3Very low40Very low86 Ų86150.4 Ų150.489%0.88781%0.809SS**  trans-65.178.5-172.200000116.1
105V38.1Very low40.9Very low123 Ų123146 Ų14675%0.74579%0.794SS**  trans-140.3101.7161.9-175.60000108.8N103N103-V105 PolarHBondContact O-N 3.32Å
106C37.2Very low42Very low132 Ų132142.3 Ų142.389%0.89279%0.787SS**  trans-90.4105.5171.6-600000109.3L108C106-L108 PolarHBondContact O-N 3.34Å
107E33.3Very low42.6Very low178 Ų178142.2 Ų142.283%0.83278%0.782SS**  trans-71.9118169.5-75.2-171.6150.700110.6N109E107-N109 PolarHBondContact O-N 3.45Å
108L42.2Very low43.6Very low150 Ų150142.3 Ų142.379%0.78578%0.776SS**  trans-84103.8-176.7-164.4100.5000110.9C106 N110C106-L108 PolarHBondContact O-N 3.34Å; L108-N110 PolarHBondContact O-N 3.33Å
109N38.8Very low44.5Very low144 Ų144142.3 Ų142.377%0.7779%0.789SS**  trans-7898.7168.7-77.1-38.9000110.9E107 T111E107-N109 PolarHBondContact O-N 3.45Å; N109-T111 PolarHBondContact O-N 3.41Å; N109-T111 VanDerWaalsContact O-N 3.1Å
110N33.1Very low46Very low154 Ų154138 Ų13882%0.82478%0.777SS**SBendtrans22.673.5147-73.3-20.6000117.7L108L108-N110 PolarHBondContact O-N 3.33Å
111T42.2Very low47.6Very low118 Ų118133.7 Ų133.772%0.72476%0.759SS**  trans-151.8122.9145.340.80000109.9N109 E113N109-T111 PolarHBondContact O-N 3.41Å; N109-T111 VanDerWaalsContact O-N 3.1Å; T111-E113 PolarHBondContact O-N 2.83Å
112S37.3Very low49.7Very low124 Ų124134.1 Ų134.187%0.86775%0.752SS**  trans-28.2108.8174-56.70000116.3
113E44.6Very low52.1Low178 Ų178128.3 Ų128.383%0.83273%0.727SS**  trans-147.5108.5149.3-107.9164.7-159.900106.9T111 I115T111-E113 PolarHBondContact O-N 2.83Å; E113-I115 VanDerWaalsContact C-N 3.26Å; E113-I115 PolarHBondContact O-N 2.97Å
114L51.5Low54.6Low165 Ų165129.5 Ų129.586%0.86472%0.722SS**  trans-75.186.2179.4-157.2153.8000106.5V116L114-V116 PolarHBondContact O-N 3.05Å
115I59.6Low57.5Low116 Ų116132.6 Ų132.660%0.59571%0.713SS**  trans-62109.3176.3-38.9175.4000105.8E113 R117E113-I115 VanDerWaalsContact C-N 3.26Å; E113-I115 PolarHBondContact O-N 2.97Å; I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.23Å
116V58.6Low60Low114 Ų114130 Ų13069%0.69170%0.697SS**  trans-6595.4176.81790000106.7L114 D118L114-V116 PolarHBondContact O-N 3.05Å; V116-D118 PolarHBondContact O-N 2.94Å; V116-D118 VanDerWaalsContact O-N 3.17Å
117R55.6Low62.6Low177 Ų177127.6 Ų127.667%0.66868%0.675SS**  trans-75.899.3170.7-61.5179.386.7-176.14.9106.3I115I115-R117 VanDerWaalsContact C-N 3.3Å; I115-R117 PolarHBondContact O-N 3.23Å
118D57.1Low65.5Low112 Ų112122.3 Ų122.360%0.59965%0.652SS**  trans-56.1149.6166.3-79.5-15.1000108.9V116 S120 G121V116-D118 PolarHBondContact O-N 2.94Å; V116-D118 VanDerWaalsContact O-N 3.17Å; D118-S120 PolarHBondContact O-N 3.27Å; D118-G121 PolarHBondContact O-N 3.16Å
119S67.3Low67.8Low142 Ų142119.8 Ų119.899%0.99364%0.643SS**THydrogen-bonded Turntrans-55.1-6-170.3-47.90000116.1
120S71.5Confident70.4Confident74 Ų74120.5 Ų120.552%0.51764%0.635SS.*THydrogen-bonded Turntrans-85.9-9.2175.158.50000114.2D118 Y122D118-S120 PolarHBondContact O-N 3.27Å; S120-Y122 VanDerWaalsContact C-N 3.25Å; S120-Y122 VanDerWaalsContact O-CD2 3.25Å; S120-Y122 WeakPolarHBondContact O-CD2 3.48Å; S120-Y122 PolarHBondContact O-N 2.75Å
121G79.5Confident73.2Confident42 Ų42117.1 Ų117.143%0.43362%0.62SS.*  trans728.8172.800000116D118D118-G121 PolarHBondContact O-N 3.16Å
122Y84.9Confident75.4Confident143 Ų143117.4 Ų117.456%0.56161%0.611SS**  trans-98.7133.1177.2-63.4-71.7000111.5S120 L127S120-Y122 VanDerWaalsContact C-N 3.25Å; S120-Y122 VanDerWaalsContact O-CD2 3.25Å; S120-Y122 WeakPolarHBondContact O-CD2 3.48Å; S120-Y122 PolarHBondContact O-N 2.75Å; Y122-L127 VanDerWaalsContact CB-CD1 3.44Å
123D89.5Confident77.9Confident74 Ų74114 Ų11440%0.39659%0.591SS.*  trans-77.4140.6175.2-57.6-38.9000110.3E125 T126 L127D123-E125 PolarHBondContact O-N 3.26Å; D123-T126 HydrophobicContact CB-CG2 4.24Å; D123-T126 PolarHBondContact N-OG1 3.49Å; D123-T126 WeakPolarHBondContact O-CA 3.3Å; D123-T126 WeakPolarHBondContact O-CB 3.43Å; D123-T126 PolarHBondContact O-N 2.99Å; D123-T126 PolarHBondContact O-OG1 3.12Å; D123-L127 VanDerWaalsContact O-CD1 3.29Å; D123-L127 WeakPolarHBondContact O-CD1 3.32Å; D123-L127 PolarHBondContact O-N 3.42Å
124Y92.6Very high80.1Confident174 Ų174110 Ų11068%0.68257%0.572SS**Hα-helixtrans-45.9-42.9-177.6171.4-101.9000113.7T126 L127 L128Y124-T126 VanDerWaalsContact C-N 3.31Å; Y124-T126 PolarHBondContact O-N 2.86Å; Y124-L127 PolarHBondContact O-N 3.41Å; Y124-L128 HydrophobicContact CE1-CD2 4.18Å; Y124-L128 WeakPolarHBondContact O-CB 3.47Å; Y124-L128 PolarHBondContact O-N 3.45Å
125E92.6Very high81.7Confident151 Ų151104.9 Ų104.971%0.70655%0.546SS*.Hα-helixtrans-62.4-36179.8-59.2-173.3168.900112.7D123 L128 T129D123-E125 PolarHBondContact O-N 3.26Å; E125-L128 PolarHBondContact O-N 2.98Å; E125-T129 WeakPolarHBondContact O-CB 3.34Å; E125-T129 PolarHBondContact O-N 3.17Å; E125-T129 PolarHBondContact O-OG1 3.02Å
126T91Very high82.9Confident67 Ų67100.6 Ų100.641%0.41153%0.53SS..Hα-helixtrans-70-40.4177.867.90000111.7D123 Y124 R130D123-T126 HydrophobicContact CB-CG2 4.24Å; D123-T126 PolarHBondContact N-OG1 3.49Å; D123-T126 WeakPolarHBondContact O-CA 3.3Å; D123-T126 WeakPolarHBondContact O-CB 3.43Å; D123-T126 PolarHBondContact O-N 2.99Å; D123-T126 PolarHBondContact O-OG1 3.12Å; Y124-T126 VanDerWaalsContact C-N 3.31Å; Y124-T126 PolarHBondContact O-N 2.86Å; T126-R130 PolarHBondContact O-N 3.43Å; T126-R130 VanDerWaalsContact O-N 3.1Å
127L92Very high84.1Confident83 Ų83101.6 Ų101.644%0.43553%0.531SS..Hα-helixtrans-65.2-42.3174.4-71.1103.5000111Y122 D123 Y124 R130 V131Y122-L127 VanDerWaalsContact CB-CD1 3.44Å; D123-L127 VanDerWaalsContact O-CD1 3.29Å; D123-L127 WeakPolarHBondContact O-CD1 3.32Å; D123-L127 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 3.41Å; L127-R130 WeakPolarHBondContact O-CB 3.21Å; L127-R130 PolarHBondContact O-N 2.8Å; L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 2.99Å
128L93Very high85.3Confident66 Ų6699.5 Ų99.535%0.34653%0.533SS..Hα-helixtrans-62.6-45.8179.7-173.563.4000111.4Y124 E125 R130 V131 F132Y124-L128 HydrophobicContact CE1-CD2 4.18Å; Y124-L128 WeakPolarHBondContact O-CB 3.47Å; Y124-L128 PolarHBondContact O-N 3.45Å; E125-L128 PolarHBondContact O-N 2.98Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.47Å; L128-V131 PolarHBondContact O-N 2.92Å; L128-V131 VanDerWaalsContact O-N 3.16Å; L128-F132 HydrophobicContact CD1-CD2 3.99Å; L128-F132 HydrophobicContact CD1-CE2 3.47Å; L128-F132 VanDerWaalsContact CD1-CE2 3.47Å; L128-F132 HydrophobicContact CD1-CZ 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.14Å; L128-F132 HydrophobicContact CG-CD2 3.86Å; L128-F132 HydrophobicContact CG-CE2 3.59Å; L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å
129T92.3Very high86.2Confident98 Ų9896.5 Ų96.560%0.60152%0.517SS*.Hα-helixtrans-58.2-41.9175.8-56.80000111.3E125 F132 A133E125-T129 WeakPolarHBondContact O-CB 3.34Å; E125-T129 PolarHBondContact O-N 3.17Å; E125-T129 PolarHBondContact O-OG1 3.02Å; T129-F132 PolarHBondContact O-N 3.31Å; T129-A133 WeakPolarHBondContact O-CB 3.01Å; T129-A133 PolarHBondContact O-N 3.46Å
130R92.2Very high86.7Confident158 Ų15894 Ų9460%0.59650%0.497SS*.Hα-helixtrans-62.9-42.2176.1-174.7-179.5-179.8177.32.4112.5T126 L127 L128 A133 Q134T126-R130 PolarHBondContact O-N 3.43Å; T126-R130 VanDerWaalsContact O-N 3.1Å; L127-R130 WeakPolarHBondContact O-CB 3.21Å; L127-R130 PolarHBondContact O-N 2.8Å; L128-R130 VanDerWaalsContact C-N 3.28Å; L128-R130 PolarHBondContact O-N 3.47Å; R130-A133 PolarHBondContact O-N 2.96Å; R130-Q134 WeakPolarHBondContact O-CG 3.41Å; R130-Q134 PolarHBondContact O-N 3.04Å
131V92Very high86.4Confident84 Ų8495.3 Ų95.351%0.50950%0.495SS..Hα-helixtrans-64-43.3177.9171.30000110.9L127 L128 Q134 L135L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 2.99Å; L128-V131 PolarHBondContact O-N 2.92Å; L128-V131 VanDerWaalsContact O-N 3.16Å; V131-Q134 PolarHBondContact O-N 2.73Å; V131-L135 WeakPolarHBondContact O-CB 3.32Å; V131-L135 PolarHBondContact O-N 2.98Å
132F89.4Confident85.9Confident123 Ų12396.6 Ų96.654%0.53949%0.492SS..Hα-helixtrans-67-37.2177.2-77.9-64.7000113L128 T129 L135 G136L128-F132 HydrophobicContact CD1-CD2 3.99Å; L128-F132 HydrophobicContact CD1-CE2 3.47Å; L128-F132 VanDerWaalsContact CD1-CE2 3.47Å; L128-F132 HydrophobicContact CD1-CZ 4.34Å; L128-F132 HydrophobicContact CD2-CE2 4.14Å; L128-F132 HydrophobicContact CG-CD2 3.86Å; L128-F132 HydrophobicContact CG-CE2 3.59Å; L128-F132 VanDerWaalsContact O-CD2 3.27Å; L128-F132 WeakPolarHBondContact O-CD2 3.34Å; L128-F132 PolarHBondContact O-N 3.06Å; T129-F132 PolarHBondContact O-N 3.31Å; F132-L135 HydrophobicContact CD1-CD2 4.42Å; F132-L135 PolarHBondContact O-N 3.37Å; F132-G136 PolarHBondContact O-N 3.39Å
133A90.1Very high85.1Confident54 Ų5493.6 Ų93.645%0.44649%0.488SS..Hα-helixtrans-59.8-49.9172.500000111.1T129 R130 L135 G136 D137T129-A133 WeakPolarHBondContact O-CB 3.01Å; T129-A133 PolarHBondContact O-N 3.46Å; R130-A133 PolarHBondContact O-N 2.96Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.01Å; A133-G136 PolarHBondContact O-N 2.95Å; A133-D137 PolarHBondContact O-N 3.37Å
134Q89.7Confident84Confident93 Ų9392.9 Ų92.944%0.43549%0.489SS..Hα-helixtrans-62.2-37176.3-71.9-179.5-19.100113R130 V131 G136 D137 L138R130-Q134 WeakPolarHBondContact O-CG 3.41Å; R130-Q134 PolarHBondContact O-N 3.04Å; V131-Q134 PolarHBondContact O-N 2.73Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; Q134-D137 PolarHBondContact O-N 3.43Å; Q134-L138 WeakPolarHBondContact O-CB 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 2.97Å; Q134-L138 PolarHBondContact O-N 3.16Å
135L86.1Confident82.6Confident58 Ų5892.4 Ų92.430%0.30450%0.498SS..Hα-helixtrans-66-39.3177.2-173.162.5000111.4V131 F132 A133 N139 L142 V143V131-L135 WeakPolarHBondContact O-CB 3.32Å; V131-L135 PolarHBondContact O-N 2.98Å; F132-L135 HydrophobicContact CD1-CD2 4.42Å; F132-L135 PolarHBondContact O-N 3.37Å; A133-L135 VanDerWaalsContact C-N 3.32Å; A133-L135 PolarHBondContact O-N 3.01Å; L135-N139 CarbonylContact O-C 3.3Å; L135-N139 VanDerWaalsContact O-C 3.3Å; L135-N139 WeakPolarHBondContact O-CA 3.47Å; L135-N139 PolarHBondContact O-N 2.76Å; L135-L142 HydrophobicContact CD1-CB 4.38Å; L135-L142 HydrophobicContact CD1-CD1 3.79Å; L135-V143 HydrophobicContact CG-CG2 4.26Å
136G83.2Confident81.3Confident25 Ų2593 Ų9326%0.25850%0.501SS..Hα-helixtrans-63.2-42.2173.500000112.8F132 A133 Q134 P140F132-G136 PolarHBondContact O-N 3.39Å; A133-G136 PolarHBondContact O-N 2.95Å; Q134-G136 VanDerWaalsContact C-N 3.34Å; G136-P140 WeakPolarHBondContact O-CA 3.38Å
137D84.2Confident80Confident135 Ų13598.2 Ų98.272%0.72252%0.518SS*.Hα-helixtrans-69.2-46.7179.9-65.8-24.1000112.4A133 Q134A133-D137 PolarHBondContact O-N 3.37Å; Q134-D137 PolarHBondContact O-N 3.43Å
138L80.9Confident78.7Confident134 Ų13496.8 Ų96.870%0.70251%0.507SS*.Hα-helixtrans-79.7-31.6-175.4-65.3176.5000112.8Q134Q134-L138 WeakPolarHBondContact O-CB 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 2.97Å; Q134-L138 PolarHBondContact O-N 3.16Å
139N76.3Confident77.5Confident49 Ų49102.1 Ų102.126%0.26253%0.527SS..  trans-146.374.3-173.5-65.1-82000110.7L135 E141 L142L135-N139 CarbonylContact O-C 3.3Å; L135-N139 VanDerWaalsContact O-C 3.3Å; L135-N139 WeakPolarHBondContact O-CA 3.47Å; L135-N139 PolarHBondContact O-N 2.76Å; N139-E141 PolarHBondContact O-N 2.87Å; N139-L142 HydrophobicContact CB-CB 4.13Å; N139-L142 HydrophobicContact CB-CD1 3.58Å; N139-L142 HydrophobicContact CB-CG 3.95Å; N139-L142 PolarHBondContact O-N 3.16Å
140P76.8Confident76.6Confident89 Ų89100.2 Ų100.258%0.57851%0.513SS*.Hα-helixtrans-58.6-26.617923.8-34.4000112.3G136 L142 V143 S144G136-P140 WeakPolarHBondContact O-CA 3.38Å; P140-L142 VanDerWaalsContact C-N 3.27Å; P140-L142 PolarHBondContact O-N 3.29Å; P140-V143 PolarHBondContact O-N 2.8Å; P140-S144 PolarHBondContact O-OG 3.02Å
141E66.5Low75.9Confident102 Ų10299.1 Ų99.148%0.47752%0.524SS..Hα-helixtrans-71.2-14.2176.4-62.1-168.1176.100114.5N139 R148 R252N139-E141 PolarHBondContact O-N 2.87Å; E141-R148 PolarHBondContact O-NE 2.94Å; E141-R148 PolarHBondContact O-NH2 3.04Å; E141-R252 IonicContact OE2-CZ 2.82Å; E141-R252 IonicContact OE2-NH1 3.64Å; E141-R252 PolarHBondContact OE2-NH1 3.33Å; E141-R252 IonicContact OE2-NH2 2.8Å; E141-R252 PolarHBondContact OE2-NH2 3.37Å
142L69.5Low75.4Confident69 Ų6998 Ų9836%0.36151%0.513SS..Hα-helixtrans-86.5-28.6176.4-79.1170000111.7L135 N139 P140L135-L142 HydrophobicContact CD1-CB 4.38Å; L135-L142 HydrophobicContact CD1-CD1 3.79Å; N139-L142 HydrophobicContact CB-CB 4.13Å; N139-L142 HydrophobicContact CB-CD1 3.58Å; N139-L142 HydrophobicContact CB-CG 3.95Å; N139-L142 PolarHBondContact O-N 3.16Å; P140-L142 VanDerWaalsContact C-N 3.27Å; P140-L142 PolarHBondContact O-N 3.29Å
143V67.8Low75.2Confident79 Ų7994.6 Ų94.648%0.47950%0.502SS..Hα-helixtrans-81.5-25.2-177.1-178.20000111.9L135 P140 D145L135-V143 HydrophobicContact CG-CG2 4.26Å; P140-V143 PolarHBondContact O-N 2.8Å; V143-D145 PolarHBondContact O-N 3.31Å
144S67Low75.3Confident59 Ų5996.3 Ų96.341%0.41351%0.509SS..SBendtrans-76.3110.3171.145.40000109.7P140 Q146P140-S144 PolarHBondContact O-OG 3.02Å; S144-Q146 PolarHBondContact O-N 2.71Å
145D62.4Low75.4Confident165 Ų16592.3 Ų92.388%0.88249%0.491SS*.  trans-58.78.5175.7-72.5-45.2000115V143 K147V143-D145 PolarHBondContact O-N 3.31Å; D145-K147 PolarHBondContact O-N 2.86Å
146Q65.3Low75.8Confident164 Ų16494.5 Ų94.577%0.76650%0.5SS*.  trans-70.2107.7174.8-62.3-169.84.400109S144 R148S144-Q146 PolarHBondContact O-N 2.71Å; Q146-R148 PolarHBondContact O-N 2.81Å
147K63.8Low76.3Confident176 Ų17695.1 Ų95.177%0.76550%0.497SS*.  trans-44.8110.4169.6-70-179.9-179.1178.10109D145 K149D145-K147 PolarHBondContact O-N 2.86Å; K147-K149 PolarHBondContact O-N 2.87Å
148R64.3Low76.8Confident52 Ų5290.5 Ų90.520%0.19648%0.477CS..  trans-60.499.9-178.1-66.5177.6-177.9164.4-8109.3E141 Q146 C232 R252E141-R148 PolarHBondContact O-NE 2.94Å; E141-R148 PolarHBondContact O-NH2 3.04Å; Q146-R148 PolarHBondContact O-N 2.81Å; R148-C232 PolarHBondContact NH1-O 3.24Å; R148-R252 VanDerWaalsContact CZ-NH1 3.25Å
149K67.6Low77.3Confident179 Ų17993 Ų9378%0.77848%0.477SS*.  trans-87.1116.9173.1-70.8177.6-174.6174.10107.2K147 V151K147-K149 PolarHBondContact O-N 2.87Å; K149-V151 PolarHBondContact O-N 3.16Å; K149-V151 VanDerWaalsContact O-N 3.07Å
150L72.7Confident78Confident57 Ų5793.9 Ų93.930%0.29848%0.484SS..  trans-62.7112.8166.6-59.5-173.8000108.6M152 C223 V227 L228 S235L150-M152 PolarHBondContact O-N 3.02Å; L150-C223 HydrophobicContact CD1-CB 4.47Å; L150-V227 HydrophobicContact CD1-CG1 4.18Å; L150-L228 HydrophobicContact CD1-CD1 4.1Å; L150-L228 HydrophobicContact CD1-CD2 3.38Å; L150-L228 HydrophobicContact CD1-CG 3.61Å; L150-L228 HydrophobicContact CD2-CD2 4.01Å; L150-L228 HydrophobicContact CG-CD2 3.66Å; L150-L228 HydrophobicContact CG-CG 4.32Å; L150-S235 VanDerWaalsContact CD2-CB 3.42Å; L150-S235 WeakPolarHBondContact CD2-OG 3.21Å
151V78.8Confident78.7Confident136 Ų13692.6 Ų92.682%0.82449%0.487SS*.  trans-79102.9170.3-1780000107K149K149-V151 PolarHBondContact O-N 3.16Å; K149-V151 VanDerWaalsContact O-N 3.07Å
152M80.6Confident79.9Confident59 Ų5992.5 Ų92.529%0.29149%0.494SS..PPolyproline II helixtrans-93.1140.8178.1-172.3-178.669.700110.1L150 L219L150-M152 PolarHBondContact O-N 3.02Å; M152-L219 HydrophobicContact CE-CB 4.13Å; M152-L219 HydrophobicContact CE-CD1 4.18Å; M152-L219 HydrophobicContact SD-CB 3.94Å; M152-L219 HydrophobicContact SD-CD1 4.22Å
153V86.7Confident81Confident52 Ų5297.1 Ų97.132%0.31551%0.511SS..PPolyproline II helixtrans-62.8132.8170-178.80000109.4I173V153-I173 HydrophobicContact CB-CG1 4.35Å
154P90.4Very high82.2Confident91 Ų9199 Ų9959%0.59151%0.512SS*.PPolyproline II helixtrans-63136.4-17924.5-34.1000111.7Q156P154-Q156 PolarHBondContact O-N 2.97Å
155P92.9Very high83.6Confident9 Ų996.2 Ų96.26%0.05849%0.493CS..PPolyproline II helixtrans-72.9122.1-178.328.3-33.1000111.5F167 E216 L219P155-F167 HydrophobicContact CB-CE2 3.79Å; P155-F167 HydrophobicContact CB-CZ 3.73Å; P155-E216 HydrophobicContact CG-CG 3.59Å; P155-L219 HydrophobicContact CB-CD1 4.04Å; P155-L219 HydrophobicContact CG-CD1 4.36Å
156Q93.6Very high85.2Confident104 Ų10490 Ų9049%0.48646%0.46SS..  trans-96.9113.1176.4-68.7-175.5-19.600111.1P154 F167 V168 N169P154-Q156 PolarHBondContact O-N 2.97Å; Q156-F167 WeakPolarHBondContact O-CD2 3.3Å; Q156-V168 HydrophobicContact CB-CB 4.46Å; Q156-V168 PolarHBondContact O-N 3.34Å; Q156-N169 WeakPolarHBondContact CG-ND2 3.48Å; Q156-N169 PolarHBondContact OE1-ND2 3.09Å; Q156-N169 PolarHBondContact OE1-OD1 2.82Å
157M94Very high86.6Confident37 Ų3782.2 Ų82.218%0.18242%0.423CS..EExtended strand (participates in β ladder)trans-107.3117178.9-58.2-60.1-66.900109.9T165 F167 M215M157-T165 HydrophobicContact CB-CG2 4.15Å; M157-T165 HydrophobicContact CE-CG2 3.47Å; M157-T165 VanDerWaalsContact CE-CG2 3.47Å; M157-F167 HydrophobicContact CE-CB 4.13Å; M157-F167 HydrophobicContact SD-CB 3.75Å; M157-F167 HydrophobicContact SD-CD1 4.19Å; M157-F167 HydrophobicContact SD-CD2 3.84Å; M157-F167 HydrophobicContact SD-CE2 4.48Å; M157-F167 HydrophobicContact SD-CG 3.67Å; M157-M215 HydrophobicContact CE-CE 3.77Å; M157-M215 HydrophobicContact CE-CG 3.92Å; M157-M215 HydrophobicContact CE-SD 4.43Å; M157-M215 HydrophobicContact CG-CG 4.19Å; M157-M215 HydrophobicContact SD-CG 3.75Å
158A94Very high88.1Confident38 Ų3876.7 Ų76.731%0.31441%0.405SS..EExtended strand (participates in β ladder)trans-103146.2172.900000110.2T165 L166 V168A158-T165 CarbonylContact O-C 3.44Å; A158-T165 VanDerWaalsContact O-CG2 3.28Å; A158-T165 WeakPolarHBondContact O-CG2 3.35Å; A158-L166 HydrophobicContact CB-CB 4.4Å; A158-L166 PolarHBondContact N-O 3.2Å; A158-L166 PolarHBondContact O-N 3.06Å; A158-V168 HydrophobicContact CB-CG2 3.77Å
159R92Very high89.4Confident188 Ų18875.7 Ų75.771%0.70940%0.403SS*.EExtended strand (participates in β ladder)trans-91.4129176.6-68-178.2179.2166.90.8109.8
160V91.8Very high90.8Very high66 Ų6667.1 Ų67.140%0.437%0.366SS..EExtended strand (participates in β ladder)trans-11390.9173.8179.40000107.4K164 L166V160-K164 CarbonylContact C-O 3.46Å; V160-K164 PolarHBondContact N-O 2.87Å; V160-K164 WeakPolarHBondContact O-CB 3.33Å; V160-L166 HydrophobicContact CG2-CB 3.59Å; V160-L166 HydrophobicContact CG2-CD2 4.18Å; V160-L166 HydrophobicContact CG2-CG 4.44Å
161G91.2Very high91.8Very high63 Ų6365.2 Ų65.265%0.64936%0.357SS*.THydrogen-bonded Turntrans70.3-157.6-17300000113.8
162T91.7Very high92.5Very high99 Ų9961.8 Ų61.861%0.60734%0.337SS*.THydrogen-bonded Turntrans-87.2-24.5-167.4-45.50000114.4R209T162-R209 PolarHBondContact O-NE 2.85Å
163K91.6Very high93.1Very high167 Ų16759.1 Ų59.173%0.72632%0.323SS*.THydrogen-bonded Turntrans-127.73.8-170-64.3-178.5-179.4176.10113.7G208K163-G208 CarbonylContact C-O 3.59Å; K163-G208 PolarHBondContact O-N 2.82Å
164K94.6Very high93.5Very high117 Ų11756.7 Ų56.751%0.50931%0.309SS..EExtended strand (participates in β ladder)trans-127143.1178.6-50.6176.6-179.6175.90109.8V160 I206 G208V160-K164 CarbonylContact C-O 3.46Å; V160-K164 PolarHBondContact N-O 2.87Å; V160-K164 WeakPolarHBondContact O-CB 3.33Å; K164-I206 WeakPolarHBondContact CA-O 3.27Å; K164-G208 CarbonylContact C-O 3.57Å
165T95.5Very high93.6Very high2 Ų260.9 Ų60.91%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-122.7135.4174.1-47.90000108.2M157 A158 I206 G208 Y210M157-T165 HydrophobicContact CB-CG2 4.15Å; M157-T165 HydrophobicContact CE-CG2 3.47Å; M157-T165 VanDerWaalsContact CE-CG2 3.47Å; A158-T165 CarbonylContact O-C 3.44Å; A158-T165 VanDerWaalsContact O-CG2 3.28Å; A158-T165 WeakPolarHBondContact O-CG2 3.35Å; T165-I206 PolarHBondContact N-O 3.18Å; T165-I206 PolarHBondContact O-N 2.94Å; T165-G208 PolarHBondContact N-O 3Å; T165-G208 PolarHBondContact OG1-O 2.94Å; T165-Y210 WeakPolarHBondContact CG2-O 3.36Å; T165-Y210 PolarHBondContact OG1-N 2.65Å
166L95.2Very high93.6Very high34 Ų3463.8 Ų63.818%0.17833%0.333CS..EExtended strand (participates in β ladder)trans-101.6126.1176.1-177.773.1000109.2A158 V160 V168 A203 L205A158-L166 HydrophobicContact CB-CB 4.4Å; A158-L166 PolarHBondContact N-O 3.2Å; A158-L166 PolarHBondContact O-N 3.06Å; V160-L166 HydrophobicContact CG2-CB 3.59Å; V160-L166 HydrophobicContact CG2-CD2 4.18Å; V160-L166 HydrophobicContact CG2-CG 4.44Å; L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; L166-A203 HydrophobicContact CD1-CB 3.58Å; L166-A203 HydrophobicContact CD2-CB 4.46Å; L166-A203 HydrophobicContact CG-CB 4.06Å; L166-L205 HydrophobicContact CB-CD2 4.33Å; L166-L205 HydrophobicContact CD1-CD2 3.5Å; L166-L205 HydrophobicContact CD1-CG 3.75Å
167F95.9Very high93.5Very high0 Ų059.4 Ų59.40%031%0.313CS..EExtended strand (participates in β ladder)trans-93.4102.6169.5-171.6176.2000108.6P155 Q156 M157 F170 I173 I188 A203 L204 L219P155-F167 HydrophobicContact CB-CE2 3.79Å; P155-F167 HydrophobicContact CB-CZ 3.73Å; Q156-F167 WeakPolarHBondContact O-CD2 3.3Å; M157-F167 HydrophobicContact CE-CB 4.13Å; M157-F167 HydrophobicContact SD-CB 3.75Å; M157-F167 HydrophobicContact SD-CD1 4.19Å; M157-F167 HydrophobicContact SD-CD2 3.84Å; M157-F167 HydrophobicContact SD-CE2 4.48Å; M157-F167 HydrophobicContact SD-CG 3.67Å; F167-F170 HydrophobicContact CD1-CB 4.26Å; F167-F170 AromaticContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD2-CB 4.45Å; F167-F170 HydrophobicContact CE1-CD2 4.04Å; F167-F170 HydrophobicContact CG-CB 4.15Å; F167-I173 HydrophobicContact CE2-CD1 3.73Å; F167-I173 HydrophobicContact CZ-CD1 3.43Å; F167-I173 VanDerWaalsContact CZ-CD1 3.43Å; F167-I188 HydrophobicContact CE1-CD1 4.46Å; F167-A203 CarbonylContact O-C 3.48Å; F167-A203 VanDerWaalsContact O-CA 3.3Å; F167-A203 WeakPolarHBondContact O-CA 3.44Å; F167-A203 WeakPolarHBondContact O-CB 3.45Å; F167-L204 HydrophobicContact CB-CB 4.13Å; F167-L204 PolarHBondContact N-O 3.33Å; F167-L204 PolarHBondContact O-N 3.15Å; F167-L219 HydrophobicContact CE1-CD1 4.29Å; F167-L219 HydrophobicContact CZ-CD1 4.01Å
168V94.6Very high93.4Very high61 Ų6162.1 Ų62.137%0.3733%0.326SS..THydrogen-bonded Turntrans-69.2-52.3-170.4-176.60000111.4Q156 A158 L166 F170Q156-V168 HydrophobicContact CB-CB 4.46Å; Q156-V168 PolarHBondContact O-N 3.34Å; A158-V168 HydrophobicContact CB-CG2 3.77Å; L166-V168 HydrophobicContact CD2-CG2 4.2Å; L166-V168 HydrophobicContact CG-CG2 4.39Å; V168-F170 PolarHBondContact O-N 3.26Å; V168-F170 VanDerWaalsContact O-N 3.1Å
169N93.2Very high93.4Very high30 Ų3061.2 Ų61.216%0.1632%0.315CS..THydrogen-bonded Turntrans-85.425.1-173.2-66.9-3.8000114.3Q156 T172 I173Q156-N169 WeakPolarHBondContact CG-ND2 3.48Å; Q156-N169 PolarHBondContact OE1-ND2 3.09Å; Q156-N169 PolarHBondContact OE1-OD1 2.82Å; N169-T172 PolarHBondContact O-N 2.75Å; N169-I173 WeakPolarHBondContact O-CG1 3.27Å; N169-I173 PolarHBondContact O-N 2.8Å; N169-I173 VanDerWaalsContact O-N 3.14Å
170F95.3Very high93.5Very high0 Ų057.5 Ų57.50%031%0.309CS..Hα-helixtrans-62.9-48.9-174.2178.7-106.1000112.3F167 V168 T172 I173 C174 Q181 L184 T185 I188 V198 L204F167-F170 HydrophobicContact CD1-CB 4.26Å; F167-F170 AromaticContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD1-CD2 3.93Å; F167-F170 HydrophobicContact CD2-CB 4.45Å; F167-F170 HydrophobicContact CE1-CD2 4.04Å; F167-F170 HydrophobicContact CG-CB 4.15Å; V168-F170 PolarHBondContact O-N 3.26Å; V168-F170 VanDerWaalsContact O-N 3.1Å; F170-T172 PolarHBondContact O-N 2.96Å; F170-I173 PolarHBondContact O-N 2.9Å; F170-C174 VanDerWaalsContact CZ-SG 3.6Å; F170-C174 PolarHBondContact O-N 3.25Å; F170-C174 PolarHBondContact O-SG 3.24Å; F170-Q181 HydrophobicContact CE1-CB 4.07Å; F170-Q181 HydrophobicContact CE1-CG 4.37Å; F170-L184 HydrophobicContact CD2-CD2 4.36Å; F170-L184 HydrophobicContact CE2-CB 4.28Å; F170-L184 HydrophobicContact CE2-CD2 3.58Å; F170-L184 HydrophobicContact CE2-CG 3.75Å; F170-L184 HydrophobicContact CZ-CB 4.13Å; F170-L184 HydrophobicContact CZ-CD2 4.12Å; F170-L184 HydrophobicContact CZ-CG 4.13Å; F170-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F170-T185 WeakPolarHBondContact CZ-OG1 3.47Å; F170-I188 HydrophobicContact CD2-CD1 4.35Å; F170-I188 HydrophobicContact CE2-CD1 3.81Å; F170-V198 HydrophobicContact CE1-CG2 4.49Å; F170-L204 HydrophobicContact CB-CB 4.09Å; F170-L204 HydrophobicContact CD1-CB 4.03Å; F170-L204 HydrophobicContact CD2-CB 4.07Å; F170-L204 HydrophobicContact CD2-CD2 4.13Å; F170-L204 HydrophobicContact CE2-CD2 4.04Å; F170-L204 HydrophobicContact CG-CB 3.77Å; F170-L204 HydrophobicContact CZ-CD2 4.48Å
171S94Very high93.6Very high16 Ų1657.7 Ų57.711%0.11231%0.306CS..Hα-helixtrans-62.1-41179.660.70000112.8C174 R175 G202S171-C174 PolarHBondContact O-N 3.3Å; S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 3.43Å; S171-G202 WeakPolarHBondContact CB-O 3.47Å; S171-G202 PolarHBondContact N-O 3.44Å
172T93.8Very high93.7Very high65 Ų6558.6 Ų58.640%0.39930%0.302SS..Hα-helixtrans-62.2-43.2177.3-52.60000111.8N169 F170 R175 S176N169-T172 PolarHBondContact O-N 2.75Å; F170-T172 PolarHBondContact O-N 2.96Å; T172-R175 PolarHBondContact O-N 3.41Å; T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 2.96Å
173I94.1Very high93.8Very high2 Ų255.1 Ų55.11%0.0128%0.279CS..Hα-helixtrans-65.1-42177.3-69165.5000110.8V153 F167 N169 F170 R175 S176 L177 L219V153-I173 HydrophobicContact CB-CG1 4.35Å; F167-I173 HydrophobicContact CE2-CD1 3.73Å; F167-I173 HydrophobicContact CZ-CD1 3.43Å; F167-I173 VanDerWaalsContact CZ-CD1 3.43Å; N169-I173 WeakPolarHBondContact O-CG1 3.27Å; N169-I173 PolarHBondContact O-N 2.8Å; N169-I173 VanDerWaalsContact O-N 3.14Å; F170-I173 PolarHBondContact O-N 2.9Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.82Å; I173-S176 PolarHBondContact O-N 3.01Å; I173-L177 HydrophobicContact CG2-CD1 3.81Å; I173-L177 HydrophobicContact CG2-CG 4.4Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 2.82Å; I173-L219 HydrophobicContact CD1-CD1 4.46Å
174C93.9Very high94Very high2 Ų247.1 Ų47.11%0.01424%0.244CC..Hα-helixtrans-59.4-43176.3-63.50000112.1F170 S171 L177 M178 R179 Q181 L184F170-C174 VanDerWaalsContact CZ-SG 3.6Å; F170-C174 PolarHBondContact O-N 3.25Å; F170-C174 PolarHBondContact O-SG 3.24Å; S171-C174 PolarHBondContact O-N 3.3Å; C174-L177 PolarHBondContact O-N 3.33Å; C174-M178 PolarHBondContact O-N 3.5Å; C174-M178 VanDerWaalsContact O-N 3.1Å; C174-R179 PolarHBondContact O-N 3.25Å; C174-Q181 HydrophobicContact CB-CG 3.87Å; C174-L184 VanDerWaalsContact SG-CD2 3.56Å
175R92.9Very high94Very high179 Ų17942.2 Ų42.268%0.67522%0.224SC*.Hα-helixtrans-65.5-44177.5-70.2175.9-171.1149.31.4111.9S171 T172 I173 L177 M178S171-R175 WeakPolarHBondContact O-CG 3.46Å; S171-R175 PolarHBondContact O-N 3.43Å; T172-R175 PolarHBondContact O-N 3.41Å; I173-R175 VanDerWaalsContact C-N 3.32Å; I173-R175 PolarHBondContact O-N 2.82Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.39Å; R175-M178 PolarHBondContact O-N 3.2Å; R175-M178 VanDerWaalsContact O-N 3.14Å
176S92.2Very high93.9Very high70 Ų7045.3 Ų45.349%0.4924%0.243SC..Hα-helixtrans-62.2-34.2177.6175.20000112.8T172 I173T172-S176 WeakPolarHBondContact O-CB 3.43Å; T172-S176 PolarHBondContact O-N 2.96Å; I173-S176 PolarHBondContact O-N 3.01Å
177L92Very high94Very high12 Ų1244.2 Ų44.26%0.06324%0.237CC..THydrogen-bonded Turntrans-88.2-2.9177.9-61.3174.2000113.6I173 C174 R175 R179 V227I173-L177 HydrophobicContact CG2-CD1 3.81Å; I173-L177 HydrophobicContact CG2-CG 4.4Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 2.82Å; C174-L177 PolarHBondContact O-N 3.33Å; R175-L177 VanDerWaalsContact C-N 3.27Å; R175-L177 PolarHBondContact O-N 3.39Å; L177-R179 HydrophobicContact CB-CG 4.35Å; L177-R179 PolarHBondContact O-N 3.09Å; L177-V227 HydrophobicContact CB-CG2 4.4Å; L177-V227 HydrophobicContact CD1-CG2 4.49Å; L177-V227 HydrophobicContact CD2-CG1 4.17Å; L177-V227 HydrophobicContact CD2-CG2 4.46Å
178M92.4Very high93.9Very high93 Ų9344.3 Ų44.346%0.45824%0.237SC..THydrogen-bonded Turntrans50.352.1-173.1-58.1-177-68.700112.5C174 R175 E236C174-M178 PolarHBondContact O-N 3.5Å; C174-M178 VanDerWaalsContact O-N 3.1Å; R175-M178 PolarHBondContact O-N 3.2Å; R175-M178 VanDerWaalsContact O-N 3.14Å; M178-E236 HydrophobicContact CE-CG 4.32Å
179R93.5Very high93.9Very high19 Ų1942.6 Ų42.67%0.07223%0.226CC..  trans-129.5148.7-179.9-71.4-70.1175-962.8112.2C174 L177 Y222 Y226 V227 T237 L248C174-R179 PolarHBondContact O-N 3.25Å; L177-R179 HydrophobicContact CB-CG 4.35Å; L177-R179 PolarHBondContact O-N 3.09Å; R179-Y222 HydrophobicContact CG-CE1 4.31Å; R179-Y226 PolarHBondContact NE-O 3.09Å; R179-Y226 PolarHBondContact NH2-O 2.97Å; R179-V227 HydrophobicContact CG-CG2 4.32Å; R179-T237 VanDerWaalsContact CZ-O 3.27Å; R179-T237 PolarHBondContact NH1-O 2.98Å; R179-T237 PolarHBondContact NH2-O 3.42Å; R179-T237 PolarHBondContact NH2-OG1 3.07Å; R179-L248 VanDerWaalsContact NH2-CD1 3.26Å
180D93.2Very high94Very high111 Ų11143.1 Ų43.159%0.59423%0.23SC*.  trans-64.7134.1174.8-66.1-38.6000111.6S182 H183 L184D180-S182 PolarHBondContact O-N 3.45Å; D180-H183 HydrophobicContact CB-CB 4.45Å; D180-H183 PolarHBondContact O-N 2.93Å; D180-L184 PolarHBondContact O-N 2.93Å
181Q94.4Very high93.9Very high69 Ų6947.9 Ų47.932%0.32225%0.253SS..Hα-helixtrans-62.3-32.3-179.8-66.4-180700112.3F170 C174 T185F170-Q181 HydrophobicContact CE1-CB 4.07Å; F170-Q181 HydrophobicContact CE1-CG 4.37Å; C174-Q181 HydrophobicContact CB-CG 3.87Å; Q181-T185 WeakPolarHBondContact O-CB 3.19Å; Q181-T185 PolarHBondContact O-N 3.46Å; Q181-T185 PolarHBondContact O-OG1 2.99Å
182S93.3Very high93.8Very high82 Ų8248.8 Ų48.857%0.57326%0.256SS*.Hα-helixtrans-64.7-43.9177.756.70000112D180 T186D180-S182 PolarHBondContact O-N 3.45Å; S182-T186 WeakPolarHBondContact O-CB 3.4Å; S182-T186 PolarHBondContact O-N 3.32Å; S182-T186 PolarHBondContact O-OG1 3.1Å
183H94.5Very high93.7Very high26 Ų2647.2 Ų47.212%0.1225%0.253CS..Hα-helixtrans-66-49.4179.7-174.8-95.5000111D180 T185 T186 Y187 Y222 Y226 V262D180-H183 HydrophobicContact CB-CB 4.45Å; D180-H183 PolarHBondContact O-N 2.93Å; H183-T185 VanDerWaalsContact C-N 3.33Å; H183-T185 PolarHBondContact O-N 3.47Å; H183-T186 PolarHBondContact O-N 3.45Å; H183-Y187 PolarHBondContact O-N 2.95Å; H183-Y222 AromaticContact CE1-CE2 3.78Å; H183-Y222 AromaticContact ND1-CE2 3.6Å; H183-Y222 AromaticContact ND1-CZ 3.69Å; H183-Y222 PolarHBondContact ND1-OH 3.31Å; H183-Y226 AromaticContact CE1-CD1 3.54Å; H183-Y226 AromaticContact CE1-CE1 3.75Å; H183-Y226 AromaticContact CE1-CG 3.91Å; H183-Y226 AromaticContact NE2-CE1 3.98Å; H183-V262 WeakPolarHBondContact NE2-CG2 3.33Å
184L94.7Very high93.6Very high0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-65-38.4179.5-176.761.3000111.9F170 C174 D180 Y187 I188 L219 Y222F170-L184 HydrophobicContact CD2-CD2 4.36Å; F170-L184 HydrophobicContact CE2-CB 4.28Å; F170-L184 HydrophobicContact CE2-CD2 3.58Å; F170-L184 HydrophobicContact CE2-CG 3.75Å; F170-L184 HydrophobicContact CZ-CB 4.13Å; F170-L184 HydrophobicContact CZ-CD2 4.12Å; F170-L184 HydrophobicContact CZ-CG 4.13Å; C174-L184 VanDerWaalsContact SG-CD2 3.56Å; D180-L184 PolarHBondContact O-N 2.93Å; L184-Y187 PolarHBondContact O-N 3.11Å; L184-I188 HydrophobicContact CD1-CD1 4.07Å; L184-I188 HydrophobicContact CD1-CG1 4.17Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 2.92Å; L184-L219 HydrophobicContact CD1-CD2 4.29Å; L184-Y222 HydrophobicContact CD1-CD1 3.58Å; L184-Y222 HydrophobicContact CD1-CD2 3.76Å; L184-Y222 HydrophobicContact CD1-CE1 3.61Å; L184-Y222 HydrophobicContact CD1-CE2 3.77Å; L184-Y222 HydrophobicContact CD1-CG 3.63Å
185T95.1Very high93.5Very high14 Ų1453.6 Ų53.69%0.08628%0.284CS..Hα-helixtrans-60.5-48.7175.6-65.50000110.9F170 Q181 H183 Y187 I188 L189 V198 L204F170-T185 WeakPolarHBondContact CE1-OG1 3.43Å; F170-T185 WeakPolarHBondContact CZ-OG1 3.47Å; Q181-T185 WeakPolarHBondContact O-CB 3.19Å; Q181-T185 PolarHBondContact O-N 3.46Å; Q181-T185 PolarHBondContact O-OG1 2.99Å; H183-T185 VanDerWaalsContact C-N 3.33Å; H183-T185 PolarHBondContact O-N 3.47Å; T185-Y187 VanDerWaalsContact C-N 3.27Å; T185-Y187 PolarHBondContact O-N 2.86Å; T185-I188 PolarHBondContact O-N 3.29Å; T185-L189 HydrophobicContact CG2-CD1 3.86Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.2Å; T185-L189 VanDerWaalsContact O-CG 3.27Å; T185-L189 WeakPolarHBondContact O-CG 3.4Å; T185-L189 PolarHBondContact O-N 3.36Å; T185-V198 HydrophobicContact CG2-CG2 4.15Å; T185-V198 WeakPolarHBondContact OG1-CG2 3.2Å; T185-L204 HydrophobicContact CG2-CD1 3.72Å
186T94.3Very high93.5Very high67 Ų6746.3 Ų46.341%0.41127%0.265SS..Hα-helixtrans-60.4-40.6178.7-53.50000111.1S182 H183 T190 V262S182-T186 WeakPolarHBondContact O-CB 3.4Å; S182-T186 PolarHBondContact O-N 3.32Å; S182-T186 PolarHBondContact O-OG1 3.1Å; H183-T186 PolarHBondContact O-N 3.45Å; T186-T190 VanDerWaalsContact O-CB 3.3Å; T186-T190 WeakPolarHBondContact O-CB 3.33Å; T186-T190 PolarHBondContact O-N 3.23Å; T186-T190 PolarHBondContact O-OG1 2.97Å; T186-V262 HydrophobicContact CG2-CG1 3.82Å
187Y95.9Very high93.6Very high11 Ų1146.2 Ų46.24%0.04326%0.264CS..Hα-helixtrans-61.9-53176.7-179.6-99.7000112.1H183 L184 T185 L189 T190 E191 V218 Y222 Y226 V262H183-Y187 PolarHBondContact O-N 2.95Å; L184-Y187 PolarHBondContact O-N 3.11Å; T185-Y187 VanDerWaalsContact C-N 3.27Å; T185-Y187 PolarHBondContact O-N 2.86Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 2.79Å; Y187-T190 PolarHBondContact O-N 2.89Å; Y187-T190 VanDerWaalsContact O-N 3.16Å; Y187-E191 HydrophobicContact CD1-CG 4.13Å; Y187-E191 HydrophobicContact CD2-CG 4.21Å; Y187-E191 HydrophobicContact CE1-CG 3.65Å; Y187-E191 HydrophobicContact CE2-CG 3.72Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.33Å; Y187-E191 HydrophobicContact CG-CG 4.4Å; Y187-E191 VanDerWaalsContact CZ-CG 3.42Å; Y187-E191 VanDerWaalsContact CZ-OE1 3.31Å; Y187-E191 WeakPolarHBondContact O-CG 3.42Å; Y187-E191 PolarHBondContact O-N 2.84Å; Y187-E191 PolarHBondContact OH-OE1 3.14Å; Y187-V218 HydrophobicContact CD1-CG1 4.5Å; Y187-V218 HydrophobicContact CE1-CG1 4.03Å; Y187-Y222 AromaticContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CE2 4.19Å; Y187-Y222 AromaticContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD2-CD2 4.04Å; Y187-Y222 VanDerWaalsContact CE1-CB 3.48Å; Y187-Y222 AromaticContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CG 4.07Å; Y187-Y222 HydrophobicContact CE2-CD2 4.41Å; Y187-Y222 AromaticContact CG-CD2 3.48Å; Y187-Y222 HydrophobicContact CG-CD2 3.48Å; Y187-Y222 VanDerWaalsContact CG-CD2 3.48Å; Y187-Y222 AromaticContact CG-CE2 4Å; Y187-Y222 HydrophobicContact CG-CE2 4Å; Y187-Y226 HydrophobicContact CD2-CD2 4.49Å; Y187-Y226 AromaticContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CE2-CD2 4.48Å; Y187-Y226 AromaticContact CE2-CE2 3.67Å; Y187-Y226 HydrophobicContact CE2-CE2 3.67Å; Y187-V262 HydrophobicContact CD2-CG1 4.44Å; Y187-V262 HydrophobicContact CD2-CG2 4.04Å
188I95.1Very high93.8Very high2 Ų248.5 Ų48.51%0.0128%0.278CS..Hα-helixtrans-60.1-44.3-178.7-68.7170.9000111F167 F170 L184 T185 T190 E191 L192 L204 I206 V218 L219F167-I188 HydrophobicContact CE1-CD1 4.46Å; F170-I188 HydrophobicContact CD2-CD1 4.35Å; F170-I188 HydrophobicContact CE2-CD1 3.81Å; L184-I188 HydrophobicContact CD1-CD1 4.07Å; L184-I188 HydrophobicContact CD1-CG1 4.17Å; L184-I188 HydrophobicContact CD2-CD1 4.43Å; L184-I188 HydrophobicContact CG-CD1 3.87Å; L184-I188 HydrophobicContact CG-CG1 4.38Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 2.92Å; T185-I188 PolarHBondContact O-N 3.29Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.81Å; I188-E191 PolarHBondContact O-N 3.1Å; I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.48Å; I188-L204 HydrophobicContact CD1-CD2 4.18Å; I188-L204 HydrophobicContact CG2-CD2 4.23Å; I188-I206 HydrophobicContact CG2-CD1 4.11Å; I188-V218 HydrophobicContact CG1-CG1 4.39Å; I188-L219 HydrophobicContact CD1-CD2 4.19Å
189L94.4Very high93.8Very high24 Ų2446.8 Ų46.813%0.12627%0.271CS..Hα-helixtrans-65-36.1179.4-67.5179.2000112.3T185 Y187 G193 T194T185-L189 HydrophobicContact CG2-CD1 3.86Å; T185-L189 HydrophobicContact CG2-CG 4.35Å; T185-L189 WeakPolarHBondContact O-CB 3.2Å; T185-L189 VanDerWaalsContact O-CG 3.27Å; T185-L189 WeakPolarHBondContact O-CG 3.4Å; T185-L189 PolarHBondContact O-N 3.36Å; Y187-L189 VanDerWaalsContact C-N 3.33Å; Y187-L189 PolarHBondContact O-N 2.79Å; L189-G193 WeakPolarHBondContact O-CA 3.3Å; L189-G193 PolarHBondContact O-N 2.69Å; L189-T194 PolarHBondContact O-N 3.19Å
190T94.2Very high93.7Very high42 Ų4250.7 Ų50.726%0.25831%0.307SS..Hα-helixtrans-68.2-48.8176.8-60.90000111.5T186 Y187 I188 L192 G193 T263T186-T190 VanDerWaalsContact O-CB 3.3Å; T186-T190 WeakPolarHBondContact O-CB 3.33Å; T186-T190 PolarHBondContact O-N 3.23Å; T186-T190 PolarHBondContact O-OG1 2.97Å; Y187-T190 PolarHBondContact O-N 2.89Å; Y187-T190 VanDerWaalsContact O-N 3.16Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 2.81Å; T190-L192 VanDerWaalsContact C-N 3.34Å; T190-L192 PolarHBondContact O-N 3.05Å; T190-G193 PolarHBondContact O-N 3.06Å; T190-T263 WeakPolarHBondContact CG2-O 3.27Å
191E93.9Very high93.5Very high100 Ų10052 Ų5247%0.46731%0.314SS..Hα-helixtrans-63.5-39.2179.2-70.3-69160.400112.2Y187 I188 G193 V218Y187-E191 HydrophobicContact CD1-CG 4.13Å; Y187-E191 HydrophobicContact CD2-CG 4.21Å; Y187-E191 HydrophobicContact CE1-CG 3.65Å; Y187-E191 HydrophobicContact CE2-CG 3.72Å; Y187-E191 WeakPolarHBondContact CE2-OE1 3.33Å; Y187-E191 HydrophobicContact CG-CG 4.4Å; Y187-E191 VanDerWaalsContact CZ-CG 3.42Å; Y187-E191 VanDerWaalsContact CZ-OE1 3.31Å; Y187-E191 WeakPolarHBondContact O-CG 3.42Å; Y187-E191 PolarHBondContact O-N 2.84Å; Y187-E191 PolarHBondContact OH-OE1 3.14Å; I188-E191 PolarHBondContact O-N 3.1Å; E191-G193 VanDerWaalsContact C-N 3.3Å; E191-V218 HydrophobicContact CB-CG1 3.98Å; E191-V218 HydrophobicContact CG-CG1 4.24Å
192L92.8Very high93.4Very high34 Ų3449.2 Ų49.218%0.17830%0.304CS..Hα-helixtrans-79.4-14.2177.9-63.9176.6000113.1I188 T190 T194 I206 Y210 M215 V218I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.3Å; I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 WeakPolarHBondContact O-CG 3.36Å; I188-L192 PolarHBondContact O-N 3.48Å; T190-L192 VanDerWaalsContact C-N 3.34Å; T190-L192 PolarHBondContact O-N 3.05Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 HydrophobicContact CB-CG2 4.39Å; L192-T194 PolarHBondContact O-N 3.41Å; L192-I206 HydrophobicContact CD1-CD1 4.13Å; L192-I206 HydrophobicContact CD1-CG2 4.28Å; L192-Y210 HydrophobicContact CD1-CE1 4.36Å; L192-Y210 HydrophobicContact CD1-CE2 4.3Å; L192-Y210 HydrophobicContact CD2-CD1 4.26Å; L192-Y210 HydrophobicContact CD2-CE1 3.77Å; L192-Y210 HydrophobicContact CG-CE1 4.47Å; L192-M215 HydrophobicContact CD1-CE 3.36Å; L192-M215 HydrophobicContact CD1-SD 3.95Å; L192-M215 HydrophobicContact CD2-CE 4.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; L192-V218 HydrophobicContact CD2-CG2 4.21Å
193G91.1Very high93.4Very high33 Ų3345.6 Ų45.634%0.3428%0.28SS..THydrogen-bonded Turntrans59.937.6-171.700000112.5L189 T190 E191 Q267L189-G193 WeakPolarHBondContact O-CA 3.3Å; L189-G193 PolarHBondContact O-N 2.69Å; T190-G193 PolarHBondContact O-N 3.06Å; E191-G193 VanDerWaalsContact C-N 3.3Å; G193-Q267 PolarHBondContact O-NE2 3.38Å
194T91.1Very high93.5Very high23 Ų2344.4 Ų44.414%0.14127%0.274CS..  trans-125.3174.1-177.6570000112.7L189 L192 I206 R207 Y210L189-T194 PolarHBondContact O-N 3.19Å; L192-T194 VanDerWaalsContact C-N 3.27Å; L192-T194 HydrophobicContact CB-CG2 4.39Å; L192-T194 PolarHBondContact O-N 3.41Å; T194-I206 WeakPolarHBondContact OG1-CG2 3.49Å; T194-R207 WeakPolarHBondContact CG2-O 3.49Å; T194-Y210 HydrophobicContact CG2-CE2 4.17Å; T194-Y210 WeakPolarHBondContact CG2-OH 3.19Å
195Q92.1Very high93.5Very high115 Ų11546.5 Ų46.554%0.53729%0.285SS..  trans-115.7141.4176.6-63.5-68.4-32.800107.9R207Q195-R207 WeakPolarHBondContact O-CB 3.33Å; Q195-R207 VanDerWaalsContact O-CG 3.32Å; Q195-R207 WeakPolarHBondContact O-CG 3.48Å; Q195-R207 PolarHBondContact O-N 3.1Å; Q195-R207 VanDerWaalsContact O-N 3.12Å
196G93.5Very high93.5Very high26 Ų2645.9 Ų45.927%0.26828%0.281SS..EExtended strand (participates in β ladder)trans-161171.5-177.200000111.3L205G196-L205 CarbonylContact C-O 3.51Å; G196-L205 WeakPolarHBondContact CA-O 3.37Å
197S94.6Very high93.5Very high68 Ų6850.5 Ų50.548%0.47629%0.291SS..EExtended strand (participates in β ladder)trans-140.9147.7-179.758.40000109.5L205S197-L205 PolarHBondContact N-O 3.31Å; S197-L205 WeakPolarHBondContact O-CB 3.46Å; S197-L205 PolarHBondContact O-N 3.44Å
198V94.9Very high93.3Very high60 Ų6051 Ų5136%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-78.1130.1170.3-1760000107.8F170 T185 L204F170-V198 HydrophobicContact CE1-CG2 4.49Å; T185-V198 HydrophobicContact CG2-CG2 4.15Å; T185-V198 WeakPolarHBondContact OG1-CG2 3.2Å; V198-L204 HydrophobicContact CG2-CD1 4.11Å
199D93Very high93.2Very high56 Ų5659.3 Ų59.330%0.29933%0.331SS..  trans-77.3160.7174.6-174.736.9000110.9N201 G202 A203 L205D199-N201 PolarHBondContact O-N 3.44Å; D199-N201 VanDerWaalsContact O-N 3.16Å; D199-N201 PolarHBondContact OD2-ND2 3.32Å; D199-G202 PolarHBondContact O-N 3.05Å; D199-A203 WeakPolarHBondContact CB-O 3.28Å; D199-A203 PolarHBondContact N-O 3.07Å; D199-L205 HydrophobicContact CB-CD1 4.16Å
200A91.5Very high93.2Very high102 Ų10260.2 Ų60.284%0.84333%0.333SS*.THydrogen-bonded Turntrans-58.3-29.8177.300000112.4G202A200-G202 PolarHBondContact O-N 3.46Å
201N89.9Confident93.2Very high137 Ų13761 Ų6173%0.73334%0.338SS*.THydrogen-bonded Turntrans-74.7-2.2177.6-58.5-40.1000113.6D199 A203D199-N201 PolarHBondContact O-N 3.44Å; D199-N201 VanDerWaalsContact O-N 3.16Å; D199-N201 PolarHBondContact OD2-ND2 3.32Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 3.41Å
202G91Very high93.1Very high11 Ų1158.1 Ų58.111%0.11333%0.329CS..SBendtrans78.510.8-175.700000114.3S171 D199 A200S171-G202 WeakPolarHBondContact CB-O 3.47Å; S171-G202 PolarHBondContact N-O 3.44Å; D199-G202 PolarHBondContact O-N 3.05Å; A200-G202 PolarHBondContact O-N 3.46Å
203A94.4Very high93.1Very high7 Ų764.3 Ų64.36%0.05835%0.354CS..PPolyproline II helixtrans-87.3145.7171.700000110.5L166 F167 D199 N201L166-A203 HydrophobicContact CD1-CB 3.58Å; L166-A203 HydrophobicContact CD2-CB 4.46Å; L166-A203 HydrophobicContact CG-CB 4.06Å; F167-A203 CarbonylContact O-C 3.48Å; F167-A203 VanDerWaalsContact O-CA 3.3Å; F167-A203 WeakPolarHBondContact O-CA 3.44Å; F167-A203 WeakPolarHBondContact O-CB 3.45Å; D199-A203 WeakPolarHBondContact CB-O 3.28Å; D199-A203 PolarHBondContact N-O 3.07Å; N201-A203 VanDerWaalsContact C-N 3.29Å; N201-A203 PolarHBondContact O-N 3.41Å
204L95.9Very high93.2Very high0 Ų068 Ų680%036%0.363CS..EExtended strand (participates in β ladder)trans-95.4119.2-178.4175.366.5000110.7F167 F170 T185 I188 V198 I206F167-L204 HydrophobicContact CB-CB 4.13Å; F167-L204 PolarHBondContact N-O 3.33Å; F167-L204 PolarHBondContact O-N 3.15Å; F170-L204 HydrophobicContact CB-CB 4.09Å; F170-L204 HydrophobicContact CD1-CB 4.03Å; F170-L204 HydrophobicContact CD2-CB 4.07Å; F170-L204 HydrophobicContact CD2-CD2 4.13Å; F170-L204 HydrophobicContact CE2-CD2 4.04Å; F170-L204 HydrophobicContact CG-CB 3.77Å; F170-L204 HydrophobicContact CZ-CD2 4.48Å; T185-L204 HydrophobicContact CG2-CD1 3.72Å; I188-L204 HydrophobicContact CD1-CD2 4.18Å; I188-L204 HydrophobicContact CG2-CD2 4.23Å; V198-L204 HydrophobicContact CG2-CD1 4.11Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CD2-CG1 4.08Å; L204-I206 HydrophobicContact CG-CD1 4.25Å; L204-I206 HydrophobicContact CG-CG1 3.87Å
205L95.3Very high93.3Very high44 Ų4467 Ų6723%0.2336%0.356CS..EExtended strand (participates in β ladder)trans-89.2120174.5-74.2163000110.2L166 G196 S197 D199L166-L205 HydrophobicContact CB-CD2 4.33Å; L166-L205 HydrophobicContact CD1-CD2 3.5Å; L166-L205 HydrophobicContact CD1-CG 3.75Å; G196-L205 CarbonylContact C-O 3.51Å; G196-L205 WeakPolarHBondContact CA-O 3.37Å; S197-L205 PolarHBondContact N-O 3.31Å; S197-L205 WeakPolarHBondContact O-CB 3.46Å; S197-L205 PolarHBondContact O-N 3.44Å; D199-L205 HydrophobicContact CB-CD1 4.16Å
206I95.6Very high93.4Very high1 Ų165.3 Ų65.31%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-117.1133.3-178.4-52.7176.4000109.5K164 T165 I188 L192 T194 L204 G208 Y210 M215K164-I206 WeakPolarHBondContact CA-O 3.27Å; T165-I206 PolarHBondContact N-O 3.18Å; T165-I206 PolarHBondContact O-N 2.94Å; I188-I206 HydrophobicContact CG2-CD1 4.11Å; L192-I206 HydrophobicContact CD1-CD1 4.13Å; L192-I206 HydrophobicContact CD1-CG2 4.28Å; T194-I206 WeakPolarHBondContact OG1-CG2 3.49Å; L204-I206 HydrophobicContact CD2-CD1 3.96Å; L204-I206 HydrophobicContact CD2-CG1 4.08Å; L204-I206 HydrophobicContact CG-CD1 4.25Å; L204-I206 HydrophobicContact CG-CG1 3.87Å; I206-G208 PolarHBondContact O-N 3.2Å; I206-Y210 HydrophobicContact CB-CD2 4.45Å; I206-Y210 HydrophobicContact CG2-CD2 3.78Å; I206-Y210 HydrophobicContact CG2-CE2 3.59Å; I206-M215 HydrophobicContact CD1-CE 3.7Å; I206-M215 HydrophobicContact CD1-SD 4.5Å
207R93.4Very high93.4Very high164 Ų16467.3 Ų67.362%0.61936%0.357SS*.EExtended strand (participates in β ladder)trans-75.3118170.6-67.7-178.4178.9-176.6-0.6109.4T194 Q195T194-R207 WeakPolarHBondContact CG2-O 3.49Å; Q195-R207 WeakPolarHBondContact O-CB 3.33Å; Q195-R207 VanDerWaalsContact O-CG 3.32Å; Q195-R207 WeakPolarHBondContact O-CG 3.48Å; Q195-R207 PolarHBondContact O-N 3.1Å; Q195-R207 VanDerWaalsContact O-N 3.12Å
208G92.6Very high93.4Very high23 Ų2364.9 Ų64.924%0.23734%0.339CS..SBendtrans136.4176.4-178.600000112.2K163 K164 T165 I206K163-G208 CarbonylContact C-O 3.59Å; K163-G208 PolarHBondContact O-N 2.82Å; K164-G208 CarbonylContact C-O 3.57Å; T165-G208 PolarHBondContact N-O 3Å; T165-G208 PolarHBondContact OG1-O 2.94Å; I206-G208 PolarHBondContact O-N 3.2Å
209R92.6Very high93.4Very high175 Ų17562.1 Ų62.166%0.6632%0.322SS*.  trans-106.7104.1173.5-66.6179.6179.7179.11.3107.7T162T162-R209 PolarHBondContact O-NE 2.85Å
210Y94.3Very high93.4Very high43 Ų4366.4 Ų66.417%0.16933%0.334CS..  trans-120.3139.1179.1-65.7-73.9000110.6T165 L192 T194 I206 M215T165-Y210 WeakPolarHBondContact CG2-O 3.36Å; T165-Y210 PolarHBondContact OG1-N 2.65Å; L192-Y210 HydrophobicContact CD1-CE1 4.36Å; L192-Y210 HydrophobicContact CD1-CE2 4.3Å; L192-Y210 HydrophobicContact CD2-CD1 4.26Å; L192-Y210 HydrophobicContact CD2-CE1 3.77Å; L192-Y210 HydrophobicContact CG-CE1 4.47Å; T194-Y210 HydrophobicContact CG2-CE2 4.17Å; T194-Y210 WeakPolarHBondContact CG2-OH 3.19Å; I206-Y210 HydrophobicContact CB-CD2 4.45Å; I206-Y210 HydrophobicContact CG2-CD2 3.78Å; I206-Y210 HydrophobicContact CG2-CE2 3.59Å; Y210-M215 HydrophobicContact CD1-CE 3.84Å; Y210-M215 HydrophobicContact CD2-CE 3.89Å; Y210-M215 HydrophobicContact CG-CE 3.42Å; Y210-M215 VanDerWaalsContact CG-CE 3.42Å
211T93.5Very high93.5Very high58 Ų5864.9 Ų64.936%0.35631%0.312SS..  trans-106.3156.2175.6-50.70000108K213 H214T211-K213 PolarHBondContact O-N 2.7Å; T211-H214 PolarHBondContact O-N 2.88Å
212S93Very high93.8Very high41 Ų4158.3 Ų58.329%0.28728%0.277SS..Hα-helixtrans-50.1-41.517650.80000112.8H214 M215 E216S212-H214 PolarHBondContact O-N 3Å; S212-H214 VanDerWaalsContact O-N 3.11Å; S212-M215 PolarHBondContact O-N 3.44Å; S212-E216 PolarHBondContact O-N 3.02Å; S212-E216 VanDerWaalsContact O-N 3.1Å
213K92.8Very high93.9Very high163 Ų16358.4 Ų58.471%0.70928%0.276SS*.Hα-helixtrans-53.4-31.4176.2-63.6-172.5177.9-174.10114.4T211 P217T211-K213 PolarHBondContact O-N 2.7Å; K213-P217 WeakPolarHBondContact O-CD 3.37Å
214H92.2Very high93.8Very high111 Ų11165.2 Ų65.251%0.51430%0.3SS..Hα-helixtrans-83.5-26.6178.7-61.4-59.2000112.6T211 S212T211-H214 PolarHBondContact O-N 2.88Å; S212-H214 PolarHBondContact O-N 3Å; S212-H214 VanDerWaalsContact O-N 3.11Å
215M94.1Very high93.7Very high2 Ų268 Ų681%0.0132%0.317CS..Hα-helixtrans-83.5-30.7-177.9-67.8-67168.600112.5M157 L192 I206 Y210 S212 V218 L219M157-M215 HydrophobicContact CE-CE 3.77Å; M157-M215 HydrophobicContact CE-CG 3.92Å; M157-M215 HydrophobicContact CE-SD 4.43Å; M157-M215 HydrophobicContact CG-CG 4.19Å; M157-M215 HydrophobicContact SD-CG 3.75Å; L192-M215 HydrophobicContact CD1-CE 3.36Å; L192-M215 HydrophobicContact CD1-SD 3.95Å; L192-M215 HydrophobicContact CD2-CE 4.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; I206-M215 HydrophobicContact CD1-CE 3.7Å; I206-M215 HydrophobicContact CD1-SD 4.5Å; Y210-M215 HydrophobicContact CD1-CE 3.84Å; Y210-M215 HydrophobicContact CD2-CE 3.89Å; Y210-M215 HydrophobicContact CG-CE 3.42Å; Y210-M215 VanDerWaalsContact CG-CE 3.42Å; S212-M215 PolarHBondContact O-N 3.44Å; M215-V218 PolarHBondContact O-N 3.3Å; M215-L219 WeakPolarHBondContact O-CG 3.42Å; M215-L219 PolarHBondContact O-N 3.21Å
216E93.4Very high93.7Very high80 Ų8066.4 Ų66.437%0.37431%0.308SS..Hα-helixtrans-57.2-47.2179.5-72.8172-157.700113.8P155 S212 V218 L219 R220P155-E216 HydrophobicContact CG-CG 3.59Å; S212-E216 PolarHBondContact O-N 3.02Å; S212-E216 VanDerWaalsContact O-N 3.1Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.4Å; E216-L219 PolarHBondContact O-N 2.91Å; E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 PolarHBondContact O-N 2.71Å
217P94.5Very high93.6Very high67 Ų6766.3 Ų66.344%0.43531%0.307SS..Hα-helixtrans-63.3-38.2176.6-23.234.8000113K213 R220 N221K213-P217 WeakPolarHBondContact O-CD 3.37Å; P217-R220 PolarHBondContact O-N 2.8Å; P217-N221 PolarHBondContact O-N 3.36Å
218V94.6Very high93.5Very high18 Ų1860.3 Ų60.311%0.10929%0.287CS..Hα-helixtrans-63-48.2179178.10000110.3Y187 I188 E191 L192 M215 E216 R220 N221 Y222Y187-V218 HydrophobicContact CD1-CG1 4.5Å; Y187-V218 HydrophobicContact CE1-CG1 4.03Å; I188-V218 HydrophobicContact CG1-CG1 4.39Å; E191-V218 HydrophobicContact CB-CG1 3.98Å; E191-V218 HydrophobicContact CG-CG1 4.24Å; L192-V218 HydrophobicContact CD2-CG2 4.21Å; M215-V218 PolarHBondContact O-N 3.3Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.4Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.11Å; V218-N221 PolarHBondContact O-N 2.96Å; V218-Y222 PolarHBondContact O-N 3.35Å
219L94.4Very high93.5Very high2 Ų259.4 Ų59.41%0.0128%0.277CS..Hα-helixtrans-64.6-38.6176.3-68.1174.8000112M152 P155 F167 I173 L184 I188 M215 E216 N221 Y222 C223M152-L219 HydrophobicContact CE-CB 4.13Å; M152-L219 HydrophobicContact CE-CD1 4.18Å; M152-L219 HydrophobicContact SD-CB 3.94Å; M152-L219 HydrophobicContact SD-CD1 4.22Å; P155-L219 HydrophobicContact CB-CD1 4.04Å; P155-L219 HydrophobicContact CG-CD1 4.36Å; F167-L219 HydrophobicContact CE1-CD1 4.29Å; F167-L219 HydrophobicContact CZ-CD1 4.01Å; I173-L219 HydrophobicContact CD1-CD1 4.46Å; L184-L219 HydrophobicContact CD1-CD2 4.29Å; I188-L219 HydrophobicContact CD1-CD2 4.19Å; M215-L219 WeakPolarHBondContact O-CG 3.42Å; M215-L219 PolarHBondContact O-N 3.21Å; E216-L219 PolarHBondContact O-N 2.91Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.35Å; L219-Y222 WeakPolarHBondContact O-CB 3.18Å; L219-Y222 PolarHBondContact O-N 3.22Å; L219-C223 PolarHBondContact O-N 3.1Å; L219-C223 PolarHBondContact O-SG 2.78Å
220R93Very high93.3Very high146 Ų14654.1 Ų54.155%0.55128%0.277SS*.Hα-helixtrans-62-41.7176.5-171.7-178.8-62.1-106.51.3111.9E216 P217 V218 C223 R224E216-R220 WeakPolarHBondContact O-CB 3.4Å; E216-R220 PolarHBondContact O-N 2.71Å; P217-R220 PolarHBondContact O-N 2.8Å; V218-R220 VanDerWaalsContact C-N 3.34Å; V218-R220 PolarHBondContact O-N 3.11Å; R220-C223 PolarHBondContact O-N 3.14Å; R220-R224 WeakPolarHBondContact O-CG 3.45Å; R220-R224 PolarHBondContact O-N 3.17Å; R220-R224 VanDerWaalsContact O-N 3.15Å
221N94.1Very high93.1Very high69 Ų6956.3 Ų56.337%0.36930%0.295SS..Hα-helixtrans-67.9-37.9176.1-74.1-5.2000112P217 V218 L219 R224 T225P217-N221 PolarHBondContact O-N 3.36Å; V218-N221 PolarHBondContact O-N 2.96Å; L219-N221 VanDerWaalsContact C-N 3.33Å; L219-N221 PolarHBondContact O-N 3.35Å; N221-R224 PolarHBondContact O-N 3.06Å; N221-R224 PolarHBondContact OD1-NH1 2.84Å; N221-T225 PolarHBondContact O-N 3.44Å; N221-T225 PolarHBondContact O-OG1 3.25Å
222Y95.3Very high92.8Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-58-50.8171.7-175.3-102.2000111.6R179 H183 L184 Y187 V218 L219 R224 T225 Y226 V227R179-Y222 HydrophobicContact CG-CE1 4.31Å; H183-Y222 AromaticContact CE1-CE2 3.78Å; H183-Y222 AromaticContact ND1-CE2 3.6Å; H183-Y222 AromaticContact ND1-CZ 3.69Å; H183-Y222 PolarHBondContact ND1-OH 3.31Å; L184-Y222 HydrophobicContact CD1-CD1 3.58Å; L184-Y222 HydrophobicContact CD1-CD2 3.76Å; L184-Y222 HydrophobicContact CD1-CE1 3.61Å; L184-Y222 HydrophobicContact CD1-CE2 3.77Å; L184-Y222 HydrophobicContact CD1-CG 3.63Å; Y187-Y222 AromaticContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CD2 3.31Å; Y187-Y222 HydrophobicContact CD1-CE2 4.19Å; Y187-Y222 AromaticContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD1-CG 3.94Å; Y187-Y222 HydrophobicContact CD2-CD2 4.04Å; Y187-Y222 VanDerWaalsContact CE1-CB 3.48Å; Y187-Y222 AromaticContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CD2 3.72Å; Y187-Y222 HydrophobicContact CE1-CG 4.07Å; Y187-Y222 HydrophobicContact CE2-CD2 4.41Å; Y187-Y222 AromaticContact CG-CD2 3.48Å; Y187-Y222 HydrophobicContact CG-CD2 3.48Å; Y187-Y222 VanDerWaalsContact CG-CD2 3.48Å; Y187-Y222 AromaticContact CG-CE2 4Å; Y187-Y222 HydrophobicContact CG-CE2 4Å; V218-Y222 PolarHBondContact O-N 3.35Å; L219-Y222 WeakPolarHBondContact O-CB 3.18Å; L219-Y222 PolarHBondContact O-N 3.22Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.42Å; Y222-T225 PolarHBondContact O-N 3.34Å; Y222-T225 VanDerWaalsContact O-N 3.09Å; Y222-Y226 AromaticContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CD2 3.41Å; Y222-Y226 VanDerWaalsContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CE2 4.09Å; Y222-Y226 HydrophobicContact CD2-CG 4.13Å; Y222-Y226 AromaticContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CE2 4.32Å; Y222-Y226 AromaticContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CG-CD2 4.22Å; Y222-Y226 PolarHBondContact O-N 3.07Å; Y222-V227 HydrophobicContact CD1-CG2 4.03Å; Y222-V227 HydrophobicContact CE1-CG2 3.83Å
223C93.8Very high92.5Very high13 Ų1358 Ų589%0.08830%0.297CS..Iπ-helixtrans-59.9-40.9-178.5-68.80000112L150 L219 R220 T225 V227 L228L150-C223 HydrophobicContact CD1-CB 4.47Å; L219-C223 PolarHBondContact O-N 3.1Å; L219-C223 PolarHBondContact O-SG 2.78Å; R220-C223 PolarHBondContact O-N 3.14Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 2.98Å; C223-V227 HydrophobicContact CB-CB 4.45Å; C223-V227 WeakPolarHBondContact O-CB 3.44Å; C223-V227 PolarHBondContact O-N 3.43Å; C223-L228 WeakPolarHBondContact O-CB 3.43Å; C223-L228 PolarHBondContact O-N 3.23Å
224R92.3Very high92.3Very high150 Ų15050.3 Ų50.357%0.56626%0.264SS*.Iπ-helixtrans-63.2-33.4176.8-72.2169.6177.6164.8-7.2113.5R220 N221 Y222R220-R224 WeakPolarHBondContact O-CG 3.45Å; R220-R224 PolarHBondContact O-N 3.17Å; R220-R224 VanDerWaalsContact O-N 3.15Å; N221-R224 PolarHBondContact O-N 3.06Å; N221-R224 PolarHBondContact OD1-NH1 2.84Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.42Å
225T92.9Very high92.1Very high57 Ų5747 Ų4735%0.3525%0.253SS..Iπ-helixtrans-94.9-38.5-171.8-50.90000112.7N221 Y222 C223 V259N221-T225 PolarHBondContact O-N 3.44Å; N221-T225 PolarHBondContact O-OG1 3.25Å; Y222-T225 PolarHBondContact O-N 3.34Å; Y222-T225 VanDerWaalsContact O-N 3.09Å; C223-T225 VanDerWaalsContact C-N 3.29Å; C223-T225 PolarHBondContact O-N 2.98Å; T225-V259 HydrophobicContact CG2-CG1 3.76Å; T225-V259 WeakPolarHBondContact O-CG1 3.27Å
226Y94.8Very high92Very high11 Ų1150.2 Ų50.24%0.04327%0.268CS..Iπ-helixtrans-120.1-6.7-167.9-61-81.1000114.8R179 H183 Y187 Y222 L248 V259 K260 V262R179-Y226 PolarHBondContact NE-O 3.09Å; R179-Y226 PolarHBondContact NH2-O 2.97Å; H183-Y226 AromaticContact CE1-CD1 3.54Å; H183-Y226 AromaticContact CE1-CE1 3.75Å; H183-Y226 AromaticContact CE1-CG 3.91Å; H183-Y226 AromaticContact NE2-CE1 3.98Å; Y187-Y226 HydrophobicContact CD2-CD2 4.49Å; Y187-Y226 AromaticContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CD2-CE2 3.73Å; Y187-Y226 HydrophobicContact CE2-CD2 4.48Å; Y187-Y226 AromaticContact CE2-CE2 3.67Å; Y187-Y226 HydrophobicContact CE2-CE2 3.67Å; Y222-Y226 AromaticContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CD2 3.41Å; Y222-Y226 VanDerWaalsContact CD2-CD2 3.41Å; Y222-Y226 HydrophobicContact CD2-CE2 4.09Å; Y222-Y226 HydrophobicContact CD2-CG 4.13Å; Y222-Y226 AromaticContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CD2 3.58Å; Y222-Y226 HydrophobicContact CE2-CE2 4.32Å; Y222-Y226 AromaticContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CE2-CG 3.86Å; Y222-Y226 HydrophobicContact CG-CD2 4.22Å; Y222-Y226 PolarHBondContact O-N 3.07Å; Y226-L248 VanDerWaalsContact O-CD1 3.27Å; Y226-L248 WeakPolarHBondContact O-CD1 3.48Å; Y226-V259 HydrophobicContact CD1-CB 4.43Å; Y226-V259 HydrophobicContact CD1-CG1 3.47Å; Y226-V259 VanDerWaalsContact CD1-CG1 3.47Å; Y226-V259 HydrophobicContact CE1-CB 4.4Å; Y226-V259 HydrophobicContact CE1-CG1 3.34Å; Y226-V259 HydrophobicContact CG-CG1 4.31Å; Y226-K260 VanDerWaalsContact CE1-O 3.27Å; Y226-K260 WeakPolarHBondContact CE1-O 3.45Å; Y226-K260 PolarHBondContact OH-O 3.42Å; Y226-K260 VanDerWaalsContact OH-O 3.06Å; Y226-V262 HydrophobicContact CE1-CG2 4.18Å; Y226-V262 HydrophobicContact CE2-CG2 4.43Å; Y226-V262 WeakPolarHBondContact OH-CG2 3.48Å
227V93.5Very high92Very high0 Ų046.4 Ų46.40%025%0.25CS..Iπ-helixtrans-119.6-46.7-176.9-177.70000111.1L150 L177 R179 Y222 C223 T237L150-V227 HydrophobicContact CD1-CG1 4.18Å; L177-V227 HydrophobicContact CB-CG2 4.4Å; L177-V227 HydrophobicContact CD1-CG2 4.49Å; L177-V227 HydrophobicContact CD2-CG1 4.17Å; L177-V227 HydrophobicContact CD2-CG2 4.46Å; R179-V227 HydrophobicContact CG-CG2 4.32Å; Y222-V227 HydrophobicContact CD1-CG2 4.03Å; Y222-V227 HydrophobicContact CE1-CG2 3.83Å; C223-V227 HydrophobicContact CB-CB 4.45Å; C223-V227 WeakPolarHBondContact O-CB 3.44Å; C223-V227 PolarHBondContact O-N 3.43Å; V227-T237 WeakPolarHBondContact O-CG2 3.49Å; V227-T237 PolarHBondContact O-OG1 2.75Å
228L92.4Very high92Very high38 Ų3845.1 Ų45.120%0.19924%0.24CC..SBendtrans-78.5132-179.3-73.2173.8000111.1L150 C223 Q233L150-L228 HydrophobicContact CD1-CD1 4.1Å; L150-L228 HydrophobicContact CD1-CD2 3.38Å; L150-L228 HydrophobicContact CD1-CG 3.61Å; L150-L228 HydrophobicContact CD2-CD2 4.01Å; L150-L228 HydrophobicContact CG-CD2 3.66Å; L150-L228 HydrophobicContact CG-CG 4.32Å; C223-L228 WeakPolarHBondContact O-CB 3.43Å; C223-L228 PolarHBondContact O-N 3.23Å; L228-Q233 VanDerWaalsContact CD2-O 3.26Å; L228-Q233 WeakPolarHBondContact CD2-O 3.18Å
229C92.5Very high92Very high3 Ų346.1 Ų46.12%0.0224%0.244CC..  trans-68.5138.2169.9-171.80000111.2T231 C232 Q233 S234 T237 C250 C253 S255C229-T231 VanDerWaalsContact C-N 3.34Å; C229-T231 PolarHBondContact O-N 3.28Å; C229-T231 PolarHBondContact SG-OG1 2.9Å; C229-C232 VanDerWaalsContact SG-SG 3.68Å; C229-Q233 VanDerWaalsContact O-CA 3.28Å; C229-Q233 WeakPolarHBondContact O-CA 3.5Å; C229-Q233 PolarHBondContact O-N 2.72Å; C229-Q233 VanDerWaalsContact O-N 3.1Å; C229-S234 PolarHBondContact N-O 3.08Å; C229-T237 HydrophobicContact CB-CG2 3.85Å; C229-C250 HydrophobicContact CB-CB 4.23Å; C229-C253 VanDerWaalsContact SG-SG 3.68Å; C229-S255 PolarHBondContact SG-OG 3.43Å; C229-S255 VanDerWaalsContact SG-OG 3.34Å
230G88.4Confident91.9Very high64 Ų6448.8 Ų48.866%0.6626%0.262SS*.THydrogen-bonded Turntrans-68.4-26.917900000114.6
231T90Very high91.9Very high90 Ų9049.7 Ų49.755%0.55227%0.271SS*.THydrogen-bonded Turntrans-89.7-56.9179.846.40000112.7C229 C253 F257C229-T231 VanDerWaalsContact C-N 3.34Å; C229-T231 PolarHBondContact O-N 3.28Å; C229-T231 PolarHBondContact SG-OG1 2.9Å; T231-C253 PolarHBondContact OG1-SG 2.86Å; T231-C253 VanDerWaalsContact OG1-SG 3.35Å; T231-F257 HydrophobicContact CG2-CE2 4.18Å; T231-F257 HydrophobicContact CG2-CZ 3.61Å
232C86.9Confident91.8Very high27 Ų2750.2 Ų50.218%0.18227%0.273CS..THydrogen-bonded Turntrans-106.92.1-169.861.50000114.8R148 C229 S234 C250 C253R148-C232 PolarHBondContact NH1-O 3.24Å; C229-C232 VanDerWaalsContact SG-SG 3.68Å; C232-S234 PolarHBondContact O-N 2.69Å; C232-S234 PolarHBondContact SG-OG 3.29Å; C232-C250 VanDerWaalsContact SG-SG 3.63Å; C232-C253 HydrophobicContact CB-CB 4.46Å; C232-C253 PolarHBondContact SG-SG 2.85Å
233Q87.6Confident91.6Very high107 Ų10754.7 Ų54.750%0.531%0.305SS..  trans50.527.1179.9-57.9-176.96.400114.9L228 C229L228-Q233 VanDerWaalsContact CD2-O 3.26Å; L228-Q233 WeakPolarHBondContact CD2-O 3.18Å; C229-Q233 VanDerWaalsContact O-CA 3.28Å; C229-Q233 WeakPolarHBondContact O-CA 3.5Å; C229-Q233 PolarHBondContact O-N 2.72Å; C229-Q233 VanDerWaalsContact O-N 3.1Å
234S87.1Confident91.5Very high1 Ų164.8 Ų64.81%0.00734%0.341CS..  trans-80.5146.6174.356.20000111.1C229 C232 E236 C250C229-S234 PolarHBondContact N-O 3.08Å; C232-S234 PolarHBondContact O-N 2.69Å; C232-S234 PolarHBondContact SG-OG 3.29Å; S234-E236 VanDerWaalsContact C-N 3.32Å; S234-C250 PolarHBondContact OG-SG 3.38Å
235S89.3Confident91.6Very high41 Ų4161.8 Ų61.829%0.28734%0.336SS..SBendtrans-76.4-17.4169.634.50000113.8L150 T237L150-S235 VanDerWaalsContact CD2-CB 3.42Å; L150-S235 WeakPolarHBondContact CD2-OG 3.21Å; S235-T237 PolarHBondContact O-N 3.34Å
236E90.5Very high91.6Very high71 Ų7160 Ų6033%0.33232%0.324SS..  trans-76.577.3178.9-70.6171.3-157.200110.8M178 S234 R251 R252M178-E236 HydrophobicContact CE-CG 4.32Å; S234-E236 VanDerWaalsContact C-N 3.32Å; E236-R251 PolarHBondContact O-N 2.8Å; E236-R251 VanDerWaalsContact O-N 3.08Å; E236-R252 HydrophobicContact CB-CG 4.27Å; E236-R252 IonicContact OE1-CZ 3.18Å; E236-R252 IonicContact OE1-NE 3.17Å; E236-R252 PolarHBondContact OE1-NE 2.95Å; E236-R252 IonicContact OE1-NH2 3.11Å; E236-R252 PolarHBondContact OE1-NH2 3.01Å; E236-R252 VanDerWaalsContact OE2-CG 3.24Å; E236-R252 WeakPolarHBondContact OE2-CG 3.24Å; E236-R252 IonicContact OE2-CZ 2.71Å; E236-R252 IonicContact OE2-NE 2.84Å; E236-R252 PolarHBondContact OE2-NE 3.19Å; E236-R252 IonicContact OE2-NH2 3.68Å
237T93.9Very high91.6Very high0 Ų061 Ų610%033%0.329CS..EExtended strand (participates in β ladder)trans-133150.3175.560.40000108.8R179 V227 C229 S235 L248 H249 C250R179-T237 VanDerWaalsContact CZ-O 3.27Å; R179-T237 PolarHBondContact NH1-O 2.98Å; R179-T237 PolarHBondContact NH2-O 3.42Å; R179-T237 PolarHBondContact NH2-OG1 3.07Å; V227-T237 WeakPolarHBondContact O-CG2 3.49Å; V227-T237 PolarHBondContact O-OG1 2.75Å; C229-T237 HydrophobicContact CB-CG2 3.85Å; S235-T237 PolarHBondContact O-N 3.34Å; T237-L248 HydrophobicContact CG2-CD1 4.47Å; T237-L248 HydrophobicContact CG2-CD2 4.38Å; T237-L248 HydrophobicContact CG2-CG 4.3Å; T237-L248 WeakPolarHBondContact OG1-CD1 3.18Å; T237-H249 CarbonylContact C-O 3.59Å; T237-H249 WeakPolarHBondContact CA-O 3.35Å; T237-H249 WeakPolarHBondContact CB-O 3.48Å; T237-C250 HydrophobicContact CG2-CB 4Å
238D94.2Very high91.7Very high40 Ų4061.2 Ų61.221%0.21433%0.33CS..EExtended strand (participates in β ladder)trans-113.3145174-66-40.6000109.9L248 H249 R251D238-L248 WeakPolarHBondContact O-CA 3.28Å; D238-H249 PolarHBondContact N-O 2.85Å; D238-H249 PolarHBondContact O-N 3.39Å; D238-R251 VanDerWaalsContact CG-NH2 3.33Å; D238-R251 IonicContact OD1-CZ 2.69Å; D238-R251 IonicContact OD1-NE 3.34Å; D238-R251 IonicContact OD1-NH2 2.8Å; D238-R251 PolarHBondContact OD1-NH2 2.8Å; D238-R251 VanDerWaalsContact OD1-NH2 3.11Å; D238-R251 IonicContact OD2-CZ 3.76Å; D238-R251 IonicContact OD2-NE 2.85Å; D238-R251 PolarHBondContact OD2-NE 2.91Å; D238-R251 IonicContact OD2-NH2 2.72Å; D238-R251 PolarHBondContact OD2-NH2 3.34Å
239L94.3Very high91.9Very high38 Ų3863 Ų6320%0.19934%0.337CS..EExtended strand (participates in β ladder)trans-100.3110.4176-168.770.2000109.2L246 L248L239-L246 HydrophobicContact CD1-CB 4.26Å; L239-L248 HydrophobicContact CD1-CD1 4.42Å
240C93.2Very high91.9Very high58 Ų5862.9 Ų62.939%0.39234%0.336SS..EExtended strand (participates in β ladder)trans-106.9129.5179.6-59.10000110F247C240-F247 PolarHBondContact N-O 2.99Å; C240-F247 PolarHBondContact O-N 3.25Å
241K92.2Very high92.1Very high166 Ų16667.2 Ų67.272%0.72233%0.332SS*.EExtended strand (participates in β ladder)trans-91.3121.7172.8-172.4178179.2-1740109.2L246K241-L246 HydrophobicContact CB-CD2 3.8Å; K241-L246 HydrophobicContact CG-CD2 3.93Å
242D92.9Very high92Very high79 Ų7965.6 Ų65.642%0.42232%0.316SS..EExtended strand (participates in β ladder)trans-131111.8178.2-178.66.7000108R244 L245 F247 R256D242-R244 PolarHBondContact O-N 3.26Å; D242-L245 PolarHBondContact N-O 3.48Å; D242-L245 VanDerWaalsContact N-O 3.09Å; D242-L245 PolarHBondContact O-N 3.43Å; D242-L245 VanDerWaalsContact O-N 3.16Å; D242-L245 VanDerWaalsContact O-O 3.09Å; D242-F247 HydrophobicContact CB-CD2 3.64Å; D242-F247 HydrophobicContact CB-CE2 3.64Å; D242-R256 IonicContact OD2-CZ 3.68Å; D242-R256 IonicContact OD2-NH2 3.41Å; D242-R256 PolarHBondContact OD2-NH2 3.05Å
243S91.2Very high92.1Very high95 Ų9567.1 Ų67.166%0.66433%0.327SS*.THydrogen-bonded Turntrans54.7-116.1-16872.70000113.7
244R91.2Very high92.2Very high224 Ų22464.3 Ų64.385%0.84533%0.326SS*.THydrogen-bonded Turntrans-94.5-11.8-179.6-60.2179.7-175.7169.61.7112.7D242 T261D242-R244 PolarHBondContact O-N 3.26Å; R244-T261 WeakPolarHBondContact O-CG2 3.41Å
245L93.5Very high92.5Very high87 Ų8765.4 Ų65.446%0.45533%0.334SS..EExtended strand (participates in β ladder)trans-104.3152.9-174.5-60177.7000110.7D242 F247D242-L245 PolarHBondContact N-O 3.48Å; D242-L245 VanDerWaalsContact N-O 3.09Å; D242-L245 PolarHBondContact O-N 3.43Å; D242-L245 VanDerWaalsContact O-N 3.16Å; D242-L245 VanDerWaalsContact O-O 3.09Å; L245-F247 HydrophobicContact CB-CE2 3.93Å; L245-F247 HydrophobicContact CB-CZ 4.34Å; L245-F247 HydrophobicContact CD1-CZ 4.42Å
246L94.4Very high92.7Very high21 Ų2170.2 Ų70.211%0.1135%0.346CS..EExtended strand (participates in β ladder)trans-103.8131.1170.8-69.8172.8000108.6L239 K241 V259 T261L239-L246 HydrophobicContact CD1-CB 4.26Å; K241-L246 HydrophobicContact CB-CD2 3.8Å; K241-L246 HydrophobicContact CG-CD2 3.93Å; L246-V259 PolarHBondContact O-N 2.64Å; L246-T261 HydrophobicContact CD1-CG2 4.31Å; L246-T261 HydrophobicContact CG-CG2 4.13Å
247F95.2Very high92.8Very high31 Ų3170.3 Ų70.314%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-112.7132.4176.5-67.1-88.5000109.9C240 D242 L245 R256 F257 T258C240-F247 PolarHBondContact N-O 2.99Å; C240-F247 PolarHBondContact O-N 3.25Å; D242-F247 HydrophobicContact CB-CD2 3.64Å; D242-F247 HydrophobicContact CB-CE2 3.64Å; L245-F247 HydrophobicContact CB-CE2 3.93Å; L245-F247 HydrophobicContact CB-CZ 4.34Å; L245-F247 HydrophobicContact CD1-CZ 4.42Å; F247-R256 HydrophobicContact CB-CG 4.22Å; F247-R256 HydrophobicContact CD1-CG 3.85Å; F247-R256 HydrophobicContact CG-CG 4.39Å; F247-F257 CarbonylContact C-O 3.6Å; F247-F257 VanDerWaalsContact CA-O 3.28Å; F247-F257 WeakPolarHBondContact CA-O 3.33Å; F247-T258 HydrophobicContact CD1-CG2 3.79Å; F247-T258 HydrophobicContact CE1-CG2 3.35Å; F247-T258 HydrophobicContact CZ-CG2 4.12Å
248L94.9Very high92.8Very high5 Ų575.1 Ų75.13%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-95115.4169.6-171.973.1000108R179 Y226 T237 D238 L239 R256 F257 V259R179-L248 VanDerWaalsContact NH2-CD1 3.26Å; Y226-L248 VanDerWaalsContact O-CD1 3.27Å; Y226-L248 WeakPolarHBondContact O-CD1 3.48Å; T237-L248 HydrophobicContact CG2-CD1 4.47Å; T237-L248 HydrophobicContact CG2-CD2 4.38Å; T237-L248 HydrophobicContact CG2-CG 4.3Å; T237-L248 WeakPolarHBondContact OG1-CD1 3.18Å; D238-L248 WeakPolarHBondContact O-CA 3.28Å; L239-L248 HydrophobicContact CD1-CD1 4.42Å; L248-R256 WeakPolarHBondContact O-CA 3.26Å; L248-F257 HydrophobicContact CB-CB 4.39Å; L248-F257 PolarHBondContact N-O 3.17Å; L248-F257 PolarHBondContact O-N 2.84Å; L248-V259 HydrophobicContact CB-CG2 3.58Å; L248-V259 HydrophobicContact CD2-CG2 4.44Å
249H95.5Very high92.8Very high74 Ų7474.1 Ų74.134%0.34337%0.37SS..EExtended strand (participates in β ladder)trans-104.1125.6177.4-17857.8000109.7T237 D238T237-H249 CarbonylContact C-O 3.59Å; T237-H249 WeakPolarHBondContact CA-O 3.35Å; T237-H249 WeakPolarHBondContact CB-O 3.48Å; D238-H249 PolarHBondContact N-O 2.85Å; D238-H249 PolarHBondContact O-N 3.39Å
250C94.4Very high92.7Very high1 Ų180.4 Ų80.41%0.00740%0.396CS..EExtended strand (participates in β ladder)trans-95.1127179-175.50000111.5C229 C232 S234 T237 C253 G254 S255C229-C250 HydrophobicContact CB-CB 4.23Å; C232-C250 VanDerWaalsContact SG-SG 3.63Å; S234-C250 PolarHBondContact OG-SG 3.38Å; T237-C250 HydrophobicContact CG2-CB 4Å; C250-C253 VanDerWaalsContact CB-SG 3.51Å; C250-C253 PolarHBondContact SG-SG 2.95Å; C250-G254 WeakPolarHBondContact O-CA 3.44Å; C250-G254 PolarHBondContact O-N 2.96Å; C250-S255 PolarHBondContact N-O 3.44Å
251R91.3Very high92.7Very high155 Ų15580.4 Ų80.459%0.58539%0.394SS*.THydrogen-bonded Turntrans-71.9-29.6179.1-66.3-171.2-179.9-177.73.4113.5E236 D238E236-R251 PolarHBondContact O-N 2.8Å; E236-R251 VanDerWaalsContact O-N 3.08Å; D238-R251 VanDerWaalsContact CG-NH2 3.33Å; D238-R251 IonicContact OD1-CZ 2.69Å; D238-R251 IonicContact OD1-NE 3.34Å; D238-R251 IonicContact OD1-NH2 2.8Å; D238-R251 PolarHBondContact OD1-NH2 2.8Å; D238-R251 VanDerWaalsContact OD1-NH2 3.11Å; D238-R251 IonicContact OD2-CZ 3.76Å; D238-R251 IonicContact OD2-NE 2.85Å; D238-R251 PolarHBondContact OD2-NE 2.91Å; D238-R251 IonicContact OD2-NH2 2.72Å; D238-R251 PolarHBondContact OD2-NH2 3.34Å
252R87.8Confident92.8Very high56 Ų5673.9 Ų73.921%0.21137%0.368CS..THydrogen-bonded Turntrans-79.3-51.1-177-63.3-166.1-176.2-178.9-7.4113.2E141 R148 E236E141-R252 IonicContact OE2-CZ 2.82Å; E141-R252 IonicContact OE2-NH1 3.64Å; E141-R252 PolarHBondContact OE2-NH1 3.33Å; E141-R252 IonicContact OE2-NH2 2.8Å; E141-R252 PolarHBondContact OE2-NH2 3.37Å; R148-R252 VanDerWaalsContact CZ-NH1 3.25Å; E236-R252 HydrophobicContact CB-CG 4.27Å; E236-R252 IonicContact OE1-CZ 3.18Å; E236-R252 IonicContact OE1-NE 3.17Å; E236-R252 PolarHBondContact OE1-NE 2.95Å; E236-R252 IonicContact OE1-NH2 3.11Å; E236-R252 PolarHBondContact OE1-NH2 3.01Å; E236-R252 VanDerWaalsContact OE2-CG 3.24Å; E236-R252 WeakPolarHBondContact OE2-CG 3.24Å; E236-R252 IonicContact OE2-CZ 2.71Å; E236-R252 IonicContact OE2-NE 2.84Å; E236-R252 PolarHBondContact OE2-NE 3.19Å; E236-R252 IonicContact OE2-NH2 3.68Å
253C88.8Confident92.6Very high60 Ų6074.8 Ų74.841%0.40538%0.377SS..THydrogen-bonded Turntrans-100-5.4-177.2630000114C229 T231 C232 C250 S255C229-C253 VanDerWaalsContact SG-SG 3.68Å; T231-C253 PolarHBondContact OG1-SG 2.86Å; T231-C253 VanDerWaalsContact OG1-SG 3.35Å; C232-C253 HydrophobicContact CB-CB 4.46Å; C232-C253 PolarHBondContact SG-SG 2.85Å; C250-C253 VanDerWaalsContact CB-SG 3.51Å; C250-C253 PolarHBondContact SG-SG 2.95Å; C253-S255 PolarHBondContact O-N 3.39Å; C253-S255 VanDerWaalsContact O-N 3.09Å; C253-S255 PolarHBondContact SG-OG 3.02Å
254G90Very high92.3Very high47 Ų4774.6 Ų74.649%0.48538%0.375SS..  trans69.70.4-177.900000115C250C250-G254 WeakPolarHBondContact O-CA 3.44Å; C250-G254 PolarHBondContact O-N 2.96Å
255S92.8Very high91.9Very high24 Ų2466.8 Ų66.817%0.16836%0.364CS..  trans-65147.5-178.964.90000112.1C229 C250 C253 F257C229-S255 PolarHBondContact SG-OG 3.43Å; C229-S255 VanDerWaalsContact SG-OG 3.34Å; C250-S255 PolarHBondContact N-O 3.44Å; C253-S255 PolarHBondContact O-N 3.39Å; C253-S255 VanDerWaalsContact O-N 3.09Å; C253-S255 PolarHBondContact SG-OG 3.02Å; S255-F257 WeakPolarHBondContact OG-CE2 3.39Å
256R94Very high91.5Very high142 Ų14271.2 Ų71.254%0.53638%0.38SS..EExtended strand (participates in β ladder)trans-120.7117.6174.9-175.8173176.8156.7-4.7108.7D242 F247 L248D242-R256 IonicContact OD2-CZ 3.68Å; D242-R256 IonicContact OD2-NH2 3.41Å; D242-R256 PolarHBondContact OD2-NH2 3.05Å; F247-R256 HydrophobicContact CB-CG 4.22Å; F247-R256 HydrophobicContact CD1-CG 3.85Å; F247-R256 HydrophobicContact CG-CG 4.39Å; L248-R256 WeakPolarHBondContact O-CA 3.26Å
257F93Very high90.9Very high73 Ų7374.8 Ų74.832%0.3240%0.396SS..EExtended strand (participates in β ladder)trans-112.2138.4178.2-71.4-78000110.7T231 F247 L248 S255T231-F257 HydrophobicContact CG2-CE2 4.18Å; T231-F257 HydrophobicContact CG2-CZ 3.61Å; F247-F257 CarbonylContact C-O 3.6Å; F247-F257 VanDerWaalsContact CA-O 3.28Å; F247-F257 WeakPolarHBondContact CA-O 3.33Å; L248-F257 HydrophobicContact CB-CB 4.39Å; L248-F257 PolarHBondContact N-O 3.17Å; L248-F257 PolarHBondContact O-N 2.84Å; S255-F257 WeakPolarHBondContact OG-CE2 3.39Å
258T94.3Very high90.2Very high102 Ų10276 Ų7663%0.62641%0.412SS*.EExtended strand (participates in β ladder)trans-78126.6166.3510000109.3F247F247-T258 HydrophobicContact CD1-CG2 3.79Å; F247-T258 HydrophobicContact CE1-CG2 3.35Å; F247-T258 HydrophobicContact CZ-CG2 4.12Å
259V94.1Very high89.3Confident18 Ų1879.4 Ų79.411%0.10943%0.43CS..EExtended strand (participates in β ladder)trans-111.3150.6176.5-172.20000109.9T225 Y226 L246 L248 T261T225-V259 HydrophobicContact CG2-CG1 3.76Å; T225-V259 WeakPolarHBondContact O-CG1 3.27Å; Y226-V259 HydrophobicContact CD1-CB 4.43Å; Y226-V259 HydrophobicContact CD1-CG1 3.47Å; Y226-V259 VanDerWaalsContact CD1-CG1 3.47Å; Y226-V259 HydrophobicContact CE1-CB 4.4Å; Y226-V259 HydrophobicContact CE1-CG1 3.34Å; Y226-V259 HydrophobicContact CG-CG1 4.31Å; L246-V259 PolarHBondContact O-N 2.64Å; L248-V259 HydrophobicContact CB-CG2 3.58Å; L248-V259 HydrophobicContact CD2-CG2 4.44Å; V259-T261 PolarHBondContact O-N 3.32Å
260K93Very high88.4Confident170 Ų17081.2 Ų81.274%0.73945%0.446SS*.  trans-57137.1174.8-64.6-178.6-178.81780109.8Y226Y226-K260 VanDerWaalsContact CE1-O 3.27Å; Y226-K260 WeakPolarHBondContact CE1-O 3.45Å; Y226-K260 PolarHBondContact OH-O 3.42Å; Y226-K260 VanDerWaalsContact OH-O 3.06Å
261T93.1Very high87.4Confident59 Ų5984.3 Ų84.336%0.36248%0.479SS..  trans-75.7135.5172.553.10000109.8R244 L246 V259 T263R244-T261 WeakPolarHBondContact O-CG2 3.41Å; L246-T261 HydrophobicContact CD1-CG2 4.31Å; L246-T261 HydrophobicContact CG-CG2 4.13Å; V259-T261 PolarHBondContact O-N 3.32Å; T261-T263 PolarHBondContact O-N 2.86Å; T261-T263 PolarHBondContact O-OG1 3.05Å; T261-T263 PolarHBondContact OG1-OG1 3.45Å
262V92.6Very high86.6Confident29 Ų2982.7 Ų82.718%0.17648%0.476CS..  trans-68.3102.9173.2-175.20000107.9H183 T186 Y187 Y226H183-V262 WeakPolarHBondContact NE2-CG2 3.33Å; T186-V262 HydrophobicContact CG2-CG1 3.82Å; Y187-V262 HydrophobicContact CD2-CG1 4.44Å; Y187-V262 HydrophobicContact CD2-CG2 4.04Å; Y226-V262 HydrophobicContact CE1-CG2 4.18Å; Y226-V262 HydrophobicContact CE2-CG2 4.43Å; Y226-V262 WeakPolarHBondContact OH-CG2 3.48Å
263T88.5Confident86Confident98 Ų9886.4 Ų86.460%0.60149%0.49SS*.  trans-114.8124.2178.3-55.80000108T190 T261 G265T190-T263 WeakPolarHBondContact CG2-O 3.27Å; T261-T263 PolarHBondContact O-N 2.86Å; T261-T263 PolarHBondContact O-OG1 3.05Å; T261-T263 PolarHBondContact OG1-OG1 3.45Å; T263-G265 PolarHBondContact O-N 2.98Å
264S85.7Confident85.5Confident90 Ų9086.8 Ų86.863%0.62950%0.498SS*.PPolyproline II helixtrans-67.4120.2172.449.20000109.4
265G83.3Confident85.1Confident60 Ų6087.1 Ų87.162%0.61950%0.496SS*.PPolyproline II helixtrans-63.3156.8171.600000111.2T263 Q267T263-G265 PolarHBondContact O-N 2.98Å; G265-Q267 PolarHBondContact O-N 3.29Å; G265-Q267 VanDerWaalsContact O-N 3.16Å
266F84.2Confident84.6Confident181 Ų18190.6 Ų90.679%0.79451%0.512SS*.PPolyproline II helixtrans-63.3117.5173.3177.5-99.2000110.3A268F266-A268 HydrophobicContact CE1-CB 4.16Å
267Q82Confident84.2Confident96 Ų9692.4 Ų92.445%0.44952%0.519SS..  trans-94107.6176.1-170.4174.228.700110.4G193 G265 L269G193-Q267 PolarHBondContact O-NE2 3.38Å; G265-Q267 PolarHBondContact O-N 3.29Å; G265-Q267 VanDerWaalsContact O-N 3.16Å; Q267-L269 PolarHBondContact O-N 2.81Å
268A79.9Confident83.8Confident57 Ų5791.9 Ų91.947%0.47153%0.528SS..  trans-63.7123.4176.400000111F266 T270F266-A268 HydrophobicContact CE1-CB 4.16Å; A268-T270 PolarHBondContact O-N 3.37Å
269L77.9Confident83.4Confident76 Ų7695.1 Ų95.140%0.39853%0.534SS..  trans-78.737.5177.2-61.6176.8000112.5Q267 G271 K272 R273Q267-L269 PolarHBondContact O-N 2.81Å; L269-G271 VanDerWaalsContact C-N 3.34Å; L269-G271 PolarHBondContact O-N 3.02Å; L269-K272 HydrophobicContact CB-CB 4.35Å; L269-K272 HydrophobicContact CD2-CD 4Å; L269-K272 PolarHBondContact O-N 3.16Å; L269-R273 HydrophobicContact CB-CG 4.2Å; L269-R273 WeakPolarHBondContact O-CG 3.29Å; L269-R273 PolarHBondContact O-N 2.98Å
270T75Confident83Confident111 Ų111100 Ų10068%0.68156%0.564SS**Hα-helixtrans-56.1-45-167.1-40.50000112.2A268A268-T270 PolarHBondContact O-N 3.37Å
271G73.9Confident82Confident67 Ų67102.5 Ų102.569%0.69158%0.578SS**Hα-helixtrans-79-27.1176.900000115L269L269-G271 VanDerWaalsContact C-N 3.34Å; L269-G271 PolarHBondContact O-N 3.02Å
272K75.1Confident81.4Confident120 Ų120104.7 Ų104.752%0.52259%0.589SS.*Hα-helixtrans-82.5-25.2-177.6-67.5174.9-174.7165.40112.4L269 A274 A275 L276L269-K272 HydrophobicContact CB-CB 4.35Å; L269-K272 HydrophobicContact CD2-CD 4Å; L269-K272 PolarHBondContact O-N 3.16Å; K272-A274 PolarHBondContact O-N 2.73Å; K272-A275 PolarHBondContact O-N 3.01Å; K272-L276 HydrophobicContact CB-CD1 4.35Å; K272-L276 WeakPolarHBondContact O-CB 3.47Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 3.25Å
273R75.2Confident80.8Confident134 Ų134108.7 Ų108.751%0.50661%0.61SS.*Hα-helixtrans-59.5-44.6-179.7-79.7174.8-176.3-174.72.1112.6L269 L276 R277L269-R273 HydrophobicContact CB-CG 4.2Å; L269-R273 WeakPolarHBondContact O-CG 3.29Å; L269-R273 PolarHBondContact O-N 2.98Å; R273-L276 PolarHBondContact O-N 2.94Å; R273-R277 WeakPolarHBondContact O-CB 3.25Å; R273-R277 VanDerWaalsContact O-CG 3.3Å; R273-R277 WeakPolarHBondContact O-CG 3.38Å; R273-R277 PolarHBondContact O-N 2.93Å
274A78.5Confident80.4Confident69 Ų69109.3 Ų109.357%0.5761%0.611SS**Hα-helixtrans-63-47.6177.600000111.4K272 L276 R277 A278K272-A274 PolarHBondContact O-N 2.73Å; A274-L276 VanDerWaalsContact C-N 3.34Å; A274-L276 PolarHBondContact O-N 3.1Å; A274-R277 PolarHBondContact O-N 3.41Å; A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.97Å
275A82Confident80.1Confident54 Ų54110.4 Ų110.445%0.44661%0.61SS.*Hα-helixtrans-65.3-33.6178.100000113.4K272 K279K272-A275 PolarHBondContact O-N 3.01Å; A275-K279 WeakPolarHBondContact O-CG 3.5Å; A275-K279 PolarHBondContact O-N 3.19Å
276L82Confident79.9Confident96 Ų96113.6 Ų113.650%0.50361%0.609SS.*Hα-helixtrans-70.3-42.7174.8-73168000111.3K272 R273 A274 A278 K279 T280K272-L276 HydrophobicContact CB-CD1 4.35Å; K272-L276 WeakPolarHBondContact O-CB 3.47Å; K272-L276 WeakPolarHBondContact O-CG 3.46Å; K272-L276 PolarHBondContact O-N 3.25Å; R273-L276 PolarHBondContact O-N 2.94Å; A274-L276 VanDerWaalsContact C-N 3.34Å; A274-L276 PolarHBondContact O-N 3.1Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.1Å; L276-K279 PolarHBondContact O-N 3.38Å; L276-T280 PolarHBondContact O-N 3.43Å; L276-T280 PolarHBondContact O-OG1 2.84Å
277R84.9Confident79.6Confident180 Ų180109.1 Ų109.168%0.67960%0.597SS**Hα-helixtrans-62.3-39.8175.7-75.5174.4175.7176.4-3.6112.4R273 A274 K279 T280R273-R277 WeakPolarHBondContact O-CB 3.25Å; R273-R277 VanDerWaalsContact O-CG 3.3Å; R273-R277 WeakPolarHBondContact O-CG 3.38Å; R273-R277 PolarHBondContact O-N 2.93Å; A274-R277 PolarHBondContact O-N 3.41Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 3.43Å; R277-T280 WeakPolarHBondContact CA-OG1 3.49Å; R277-T280 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 2.83Å
278A85.4Confident79.4Confident63 Ų63110 Ų11052%0.52161%0.608SS.*Hα-helixtrans-68.2-23176.700000113.5A274 L276A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.97Å; L276-A278 VanDerWaalsContact C-N 3.34Å; L276-A278 PolarHBondContact O-N 3.1Å
279K86Confident79.4Confident170 Ų170114.1 Ų114.174%0.73962%0.618SS**Hα-helixtrans-85.1-16.5176.4-75.2177.7-179.4-167.70113.9A275 L276 R277A275-K279 WeakPolarHBondContact O-CG 3.5Å; A275-K279 PolarHBondContact O-N 3.19Å; L276-K279 PolarHBondContact O-N 3.38Å; R277-K279 VanDerWaalsContact C-N 3.26Å; R277-K279 PolarHBondContact O-N 3.43Å
280T85.8Confident79.5Confident121 Ų121117.3 Ų117.374%0.74264%0.636SS**  trans-93.1-8.4179.244.50000113.4L276 R277L276-T280 PolarHBondContact O-N 3.43Å; L276-T280 PolarHBondContact O-OG1 2.84Å; R277-T280 WeakPolarHBondContact CA-OG1 3.49Å; R277-T280 PolarHBondContact O-N 3.29Å; R277-T280 PolarHBondContact O-OG1 2.83Å
281Q70.3Confident79.9Confident222 Ų222117.8 Ų117.8100%1.03763%0.632SS**  trans-95.10169.6-67.8-177.9-15.500109.1

Retrieved 281 of 281 residues in 109.1 ms (Link to these results)