A0A096NVN1_PAPAN Loading...

Ovo like zinc finger 2

AlphaFold DB , UniProt , Accession A0A096NVN1, Species PAPAN (Papio anubis, Olive baboon), Gene OVOL2, Length 275 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
1M29.9Very low35.1Very low241 Ų241169.5 Ų169.5100%1.18782%0.817SS**  0133.10-78.3-68.517300108.9
2P44.6Very low35.1Very low99 Ų99169.5 Ų169.564%0.64382%0.823SS**  trans-102.7175.8-159.839.9-33.3000113.4
3K38.7Very low34.7Very low188 Ų188162.6 Ų162.682%0.81782%0.823SS**  trans-178.389.7144.4-95.5154.1-171.8-178.60109.5
4V32.4Very low34.5Very low124 Ų124160.1 Ų160.175%0.75282%0.819SS**  26120.6101.1-123.60000115.1
5F33.9Very low33.9Very low200 Ų200157.6 Ų157.688%0.87782%0.822SS**  trans-127.4141.5151.7-89.7-82.7000111.2
6L32.9Very low33.6Very low155 Ų155155.1 Ų155.181%0.81282%0.815SS**  trans-67.4140.2-161.6-108.974.5000114
7V32.9Very low33.3Very low119 Ų119160.4 Ų160.472%0.72182%0.821SS**  trans-64133.6147.2171.70000109R9V7-R9 HydrophobicContact CG1-CB 4.44Å; V7-R9 HydrophobicContact CG1-CG 4.01Å
8K33.3Very low32.8Very low195 Ų195157.7 Ų157.785%0.84882%0.819SS**  trans-119.492.2157.5-156.5160.6-172.9171.70109.2
9R35.8Very low32.5Very low214 Ų214161.2 Ų161.281%0.80882%0.821SS**  trans-74.6132.7159.6-85.1-179.8171.3-176.3-2.9108.1V7V7-R9 HydrophobicContact CG1-CB 4.44Å; V7-R9 HydrophobicContact CG1-CG 4.01Å
10R35.2Very low32.4Very low243 Ų243160.3 Ų160.392%0.91782%0.818SS**  trans-130.399.3147-111.6179.5177.2-175.2-2.5108
11S36.3Very low32.5Very low86 Ų86161.4 Ų161.460%0.60182%0.82SS**  trans-67.1155.1148.4-48.70000107
12L35.9Very low32.6Very low170 Ų170158.1 Ų158.189%0.8981%0.806SS**  cis-164.4155.648.5-73.9162.6000109.1
13G29.9Very low32.2Very low80 Ų80159.3 Ų159.383%0.82581%0.814SS**  trans174.663166.900000111.4
14V31.7Very low32.1Very low127 Ų127157.3 Ų157.377%0.7781%0.812SS**  trans-77.5133.8170173.60000108.3V16V14-V16 HydrophobicContact CG1-CG2 3.79Å
15S25.1Very low32.1Very low123 Ų123158 Ų15886%0.8681%0.807SS**  trans-140.6129.8151.9-170.50000109.1
16V29.2Very low32.2Very low117 Ų117156 Ų15671%0.70980%0.798SS**  trans-114.9136.1-178.2-172.80000107.7V14V14-V16 HydrophobicContact CG1-CG2 3.79Å
17R28.9Very low32.2Very low246 Ų246159 Ų15993%0.92880%0.799SS**  trans154.7144.7156.6-88164.3-172.2-1533.2106
18S24.6Very low32Very low111 Ų111157.8 Ų157.878%0.77680%0.801SS**  cis-159.9161.59.9-178.60000107.3
19W26.3Very low32Very low225 Ų225153.6 Ų153.685%0.85279%0.788SS**  trans-66.4160171.9-76.941.9000112.5
20D30.3Very low31.8Very low143 Ų143149.5 Ų149.577%0.76579%0.787SS**  trans85.6103.6169-54.6-59.1000117.6
21E34.2Very low31.4Very low183 Ų183147.6 Ų147.686%0.85578%0.781SS**  171.2107.8113.4-87.8-166.5123.400110.9
22L32.4Very low31.3Very low173 Ų173150.9 Ų150.991%0.90679%0.79SS**  trans156.3147.1139.7-81.2156.9000112.2
23P37.2Very low31.3Very low124 Ų124146.7 Ų146.781%0.80577%0.773SS**  trans-104.7165.7-134.17.115.4000116
24D35.3Very low31.6Very low146 Ų146149.9 Ų149.978%0.78178%0.777SS**  trans-88.6137.5-176.1-153.7-32.7000112.1
25E33.5Very low31.4Very low139 Ų139147.4 Ų147.465%0.6578%0.777SS**  166.4125.1113.8-88.4-163.2143.400115.9
26K34.9Very low31.8Very low158 Ų158150.9 Ų150.969%0.68779%0.785SS**  trans89.272.6137.7-66.8168.3-178.2152.40120.7A28K26-A28 PolarHBondContact O-N 3.34Å
27R32.6Very low31.7Very low217 Ų217148.5 Ų148.582%0.81978%0.784SS**  trans-34.9112.6143.9-169.8173.9-173.51565.1115.1D29R27-D29 IonicContact CZ-OD2 2.73Å; R27-D29 IonicContact NE-OD2 3.85Å; R27-D29 PolarHBondContact NE-OD2 3.27Å; R27-D29 IonicContact NH2-OD2 2.9Å; R27-D29 PolarHBondContact NH2-OD2 2.83Å; R27-D29 VanDerWaalsContact NH2-OD2 3.12Å
28A30.4Very low31.6Very low93 Ų93147.5 Ų147.577%0.76978%0.78SS**  trans-106.799.8161.200000108.3K26K26-A28 PolarHBondContact O-N 3.34Å
29D32Very low31.9Very low108 Ų108150.1 Ų150.158%0.57879%0.785SS**  trans-9995174.6-73.7-16.1000109.6R27R27-D29 IonicContact CZ-OD2 2.73Å; R27-D29 IonicContact NE-OD2 3.85Å; R27-D29 PolarHBondContact NE-OD2 3.27Å; R27-D29 IonicContact NH2-OD2 2.9Å; R27-D29 PolarHBondContact NH2-OD2 2.83Å; R27-D29 VanDerWaalsContact NH2-OD2 3.12Å
30T32.4Very low32Very low128 Ų128145.3 Ų145.379%0.78578%0.775SS**  trans42.6101.7134.134.20000119.2
31Y26.8Very low31.9Very low202 Ų202146.8 Ų146.879%0.79278%0.777SS**  trans-64.4134.4152.1-177.5-98.5000111.5P33Y31-P33 HydrophobicContact CE1-CB 3.77Å; Y31-P33 HydrophobicContact CE1-CG 4.49Å
32I32.7Very low31.6Very low155 Ų155144.2 Ų144.280%0.79577%0.769SS**  trans-134.1135156.7-63.9-172.7000108.3
33P37.3Very low31.5Very low82 Ų82140.5 Ų140.553%0.53276%0.755SS.*  trans-96156.2-157.136.7-31.1000113.6Y31Y31-P33 HydrophobicContact CE1-CB 3.77Å; Y31-P33 HydrophobicContact CE1-CG 4.49Å
34V34.8Very low31.4Very low148 Ų148139.5 Ų139.590%0.89775%0.749SS**  trans-133.8112.1162.5-114.10000110.2
35G28.1Very low31.6Very low75 Ų75139.6 Ų139.677%0.77375%0.745SS**  trans59.796.2139.100000118.2G37G35-G37 PolarHBondContact O-N 3.41Å; G35-G37 VanDerWaalsContact O-N 3.14Å
36L32.9Very low31.7Very low195 Ų195139.7 Ų139.7100%1.02175%0.75SS**  trans-51.4109.8156.5-88.7146000111
37G27.7Very low32.1Very low68 Ų68133.9 Ų133.970%0.70173%0.728SS**  trans-144.587169.800000109.5G35G35-G37 PolarHBondContact O-N 3.41Å; G35-G37 VanDerWaalsContact O-N 3.14Å
38R26.9Very low32.4Very low224 Ų224133.4 Ų133.485%0.84573%0.727SS**  trans29.796161-142.3167-161.1-127.22.7116.4L40R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 3.04Å
39L30.8Very low32.8Very low166 Ų166132 Ų13287%0.86971%0.712SS**  trans-59.189.6159-80.4150.7000109.2H41L39-H41 PolarHBondContact O-N 2.86Å
40L28.7Very low32.9Very low125 Ų125133 Ų13365%0.65472%0.717SS**  trans-72.4107.8152.5-135.772.7000104.6R38 D42R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 3.04Å; L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.05Å
41H28Very low33.3Very low173 Ų173131 Ų13180%0.80172%0.721SS**  trans-55102.4158.7-102.7-144.7000106.3L39L39-H41 PolarHBondContact O-N 2.86Å
42D28.4Very low33.4Very low129 Ų129123.1 Ų123.169%0.6970%0.702SS**  trans-57.4126.6161.2-81.9-62.6000106.7L40L40-D42 VanDerWaalsContact C-N 3.28Å; L40-D42 PolarHBondContact O-N 3.05Å
43P29.3Very low33.4Very low95 Ų95120.4 Ų120.462%0.61770%0.696SS**  trans-56.9151.2175.824-31.1000109.1E45P43-E45 PolarHBondContact O-N 3.43Å
44P35.9Very low33.2Very low104 Ų104122 Ų12268%0.67571%0.709SS**  trans-57.1107.7179.923.9-32000108.5D46P44-D46 PolarHBondContact O-N 3.28Å
45E39.8Very low33Very low147 Ų147120 Ų12069%0.68770%0.702SS**  trans-48.2113.5174.1-67.8-94.6114.800107.4P43 C47P43-E45 PolarHBondContact O-N 3.43Å; E45-C47 PolarHBondContact O-N 3.38Å
46D34.9Very low33.2Very low141 Ų141120.6 Ų120.675%0.75471%0.708SS**  trans-42.9129.3169.9-89.9-49000107.5P44 R48P44-D46 PolarHBondContact O-N 3.28Å; D46-R48 PolarHBondContact O-N 2.98Å
47C43.9Very low33.1Very low36 Ų36116.6 Ų116.624%0.24370%0.696CS.*  trans-67.359.9-176.1-71.20000110.7E45 S49 K126E45-C47 PolarHBondContact O-N 3.38Å; C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.44Å; C47-K126 PolarHBondContact O-NZ 3.33Å
48R38.3Very low33Very low207 Ų207117.1 Ų117.178%0.78170%0.702SS**  trans-69.494.5171.7-79-174.6169.1-179.6-1.7106.9D46 D50D46-R48 PolarHBondContact O-N 2.98Å; R48-D50 PolarHBondContact O-N 3.22Å
49S39.3Very low33.2Very low65 Ų65112 Ų11246%0.45570%0.701SS.*  trans-6094.2153.6-45.30000105.8C47 G51 K126C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.44Å; S49-G51 PolarHBondContact O-N 3.27Å; S49-K126 PolarHBondContact OG-NZ 3.4Å
50D34.7Very low33.1Very low129 Ų129110 Ų11069%0.6970%0.7SS**  trans-67.671.3161.4-78.5-46.1000108.3R48 G52R48-D50 PolarHBondContact O-N 3.22Å; D50-G52 PolarHBondContact O-N 3.49Å
51G39.3Very low33.2Very low85 Ų85109.8 Ų109.888%0.87671%0.709SS**  trans-82.965.7140.700000106.9S49S49-G51 PolarHBondContact O-N 3.27Å
52G29.7Very low33.3Very low37 Ų37106.9 Ų106.938%0.38172%0.715SS.*SBendtrans-17993.5-17400000108.6D50 S54D50-G52 PolarHBondContact O-N 3.49Å; G52-S54 PolarHBondContact O-N 3.47Å
53S32Very low33.3Very low97 Ų97104.6 Ų104.668%0.67872%0.722SS**  trans-65.599.6174-58.80000109.4
54S34.5Very low33.2Very low115 Ų115109 Ų10980%0.80473%0.734SS**  trans-126.292166.9-55.10000108.3G52G52-S54 PolarHBondContact O-N 3.47Å
55S30Very low33.6Very low108 Ų108109.5 Ų109.576%0.75574%0.738SS**  trans-145.4101.9156.961.60000107.4
56G32.7Very low32.9Very low86 Ų86106.3 Ų106.389%0.88774%0.744SS**  trans-58.5135.4161.200000109
57S30Very low32.6Very low111 Ų111103.2 Ų103.278%0.77675%0.745SS**  trans-119.6109.9162.250.30000105.5
58G26.8Very low31.8Very low79 Ų79105.9 Ų105.981%0.81477%0.77SS**PPolyproline II helixtrans-61.1146.2178.700000112
59S30.6Very low31.2Very low118 Ų118104.7 Ų104.783%0.82577%0.774SS**PPolyproline II helixtrans-97.9121.316244.20000107.8
60S28.7Very low30.6Very low122 Ų122106.6 Ų106.685%0.85379%0.787SS**PPolyproline II helixtrans-66.3130170-48.80000110.6
61S29.6Very low30.2Very low121 Ų121105.4 Ų105.485%0.84679%0.789SS**  trans-152.3131.4154.9-64.10000109.1
62A30Very low29.8Very low112 Ų112106.7 Ų106.793%0.92678%0.784SS**  trans-85.6153.7-178.400000112.8
63G28.6Very low29.9Very low81 Ų81110.2 Ų110.284%0.83580%0.803SS**  trans154.9107.3164.900000113.9
64E27.7Very low30.3Very low187 Ų187111 Ų11187%0.87481%0.806SS**  trans-105.4177165.9-81.5-136.5114.900109.9
65P43.7Very low30Very low115 Ų115114.2 Ų114.275%0.74781%0.808SS**  -134.1177.8-53.138.2-21.4000112.3
66G26.8Very low30.1Very low80 Ų80112.8 Ų112.883%0.82580%0.803SS**  trans164.1127.4159.900000117.6
67G27.2Very low30.1Very low76 Ų76114.9 Ų114.978%0.78480%0.801SS**  trans86.794.8158.800000116
68A26.8Very low30Very low92 Ų92118.6 Ų118.676%0.7681%0.806SS**  66.3109.681.500000114.3
69E25.9Very low30.1Very low183 Ų183124.7 Ų124.786%0.85580%0.804SS**  166.4136.811465.3-170.49400113.7
70S26.7Very low30Very low105 Ų105125.3 Ų125.373%0.73479%0.794SS**  trans27.6146.3147.3-2.70000121.2
71S27.6Very low30Very low104 Ų104126 Ų12673%0.72779%0.793SS**  cis-177.1168.815.548.60000109.3
72S30.3Very low30.4Very low112 Ų112125.7 Ų125.778%0.78379%0.788SS**  trans97.6100149.7-44.70000119
73S32.3Very low30.5Very low110 Ų110129.1 Ų129.177%0.76979%0.785SS**  trans-69.7160.2150.1-1470000109.7
74P38.9Very low30.8Very low115 Ų115130.7 Ų130.775%0.74778%0.781SS**  -151.5157.88738-19.1000117.4
75H28.7Very low31.1Very low181 Ų181125.4 Ų125.484%0.83878%0.777SS**  trans62.9119.2144-96.8-85.5000122.9
76A31.9Very low30.3Very low79 Ų79127.7 Ų127.765%0.65378%0.782SS**  trans-70.8163.8160.900000113.1
77P33.8Very low30.5Very low130 Ų130127.9 Ų127.984%0.84478%0.776SS**  -124.2148.5125.834.7-30.3000114.2
78E28.3Very low30.6Very low188 Ų188133.3 Ų133.388%0.87978%0.781SS**  trans-82.2177.8-175.2-60.3-173.1107.100115.4
79R28.4Very low30.9Very low207 Ų207132.2 Ų132.278%0.78178%0.778SS**  trans94.3134.1169.4-74.5-165.5155.1-135.7-3.7116
80E27.9Very low31.7Very low132 Ų132129.4 Ų129.462%0.61778%0.776SS**  cis-172.4141.32.1-121.3168.917200109.1
81T28.6Very low32Very low136 Ų136132.3 Ų132.383%0.83478%0.783SS**  trans-161.6160.6155.753.80000107.6
82P37.9Very low32.1Very low114 Ų114130.7 Ų130.774%0.7478%0.784SS**  cis-129.1168.2-41.935.6-19.4000111.3
83E31.9Very low32.4Very low184 Ų184134.4 Ų134.486%0.8679%0.788SS**  trans-105.6143.1166.7-75.7-77.4132.700110.5
84P36.5Very low32.3Very low115 Ų115137.3 Ų137.375%0.74779%0.794SS**  trans-91.7145.3179.336-30.1000111.7
85G32.3Very low31.9Very low76 Ų76135.7 Ų135.778%0.78479%0.79SS**  trans-133.1120.4170.800000109.8
86D28Very low32.4Very low162 Ų162132.3 Ų132.387%0.86679%0.794SS**  trans-62.8162.6-180-63.8-77.1000114.4
87A31.2Very low32.6Very low84 Ų84137.5 Ų137.569%0.69480%0.802SS**  trans125.1110.313200000116.7
88E29.7Very low32.6Very low191 Ų191140.5 Ų140.589%0.89381%0.805SS**  trans90.2119.9133.4-52.8-90.9101.500119
89G31.8Very low32.7Very low68 Ų68142.5 Ų142.570%0.70180%0.804SS**  trans-71.3-176.5162.300000112.5
90P43.1Very low33Very low125 Ų125138.5 Ų138.581%0.81281%0.805SS**  -147.7173.375.336.7-17.3000116.4
91D33.2Very low33.5Very low165 Ų165139.2 Ų139.288%0.88282%0.818SS**  trans-35.8141.9171.6-66.5-89000117.8
92G30.5Very low33.8Very low71 Ų71136.2 Ų136.273%0.73281%0.807SS**  trans-162.479.7169.800000112.1L94G92-L94 PolarHBondContact O-N 3.18Å
93H35.8Very low34.2Very low190 Ų190142.4 Ų142.488%0.8882%0.816SS**  trans-60.9116.6165.4-114.172.9000109.8
94L30.9Very low34.3Very low170 Ų170138.6 Ų138.689%0.8981%0.809SS**  trans-151.3103.8161.5-98.4129.3000112.2G92G92-L94 PolarHBondContact O-N 3.18Å
95A30.6Very low34.5Very low81 Ų81142.4 Ų142.467%0.66981%0.814SS**  trans20107.3151.900000118.9K97A95-K97 PolarHBondContact O-N 3.1Å
96A39.2Very low35.2Very low111 Ų111144.6 Ų144.692%0.91781%0.806SS**  trans-63.491160.800000111
97K35.1Very low35.7Very low187 Ų187145.3 Ų145.381%0.81380%0.802SS**  trans-82.1111.7162.5-74.6-174.4177.6-174.70108.6A95 R99A95-K97 PolarHBondContact O-N 3.1Å; K97-R99 PolarHBondContact O-N 2.95Å; K97-R99 VanDerWaalsContact O-N 3.07Å
98Q33.2Very low36Very low194 Ų194148.5 Ų148.591%0.90780%0.8SS**  trans-52.8113.6164-66.1176.221.500108.4
99R30.8Very low36.6Very low229 Ų229145.5 Ų145.586%0.86480%0.795SS**  trans-81.6131.8169.3-79.5175.770-164.93.5108.3K97 V101K97-R99 PolarHBondContact O-N 2.95Å; K97-R99 VanDerWaalsContact O-N 3.07Å; R99-V101 PolarHBondContact O-N 2.86Å
100P35.5Very low37.5Very low123 Ų123148.5 Ų148.580%0.79980%0.8SS**  trans-66.3128.317627.3-31.5000108.8A102P100-A102 VanDerWaalsContact C-N 3.33Å; P100-A102 PolarHBondContact O-N 3.38Å
101V37.4Very low37.6Very low147 Ų147146.2 Ų146.289%0.89180%0.8SS**  trans-72.394.6174.1-164.90000107.1R99 R103R99-V101 PolarHBondContact O-N 2.86Å; V101-R103 PolarHBondContact O-N 2.84Å
102A35.8Very low38.7Very low74 Ų74144.8 Ų144.861%0.61280%0.797SS**  trans-56.4130.4169.400000108.4P100 S104P100-A102 VanDerWaalsContact C-N 3.33Å; P100-A102 PolarHBondContact O-N 3.38Å; A102-S104 VanDerWaalsContact C-N 3.27Å; A102-S104 PolarHBondContact O-N 3.37Å
103R45.6Very low39.1Very low244 Ų244146.9 Ų146.992%0.92180%0.799SS**  trans-63.289.3173.7-175.8176.2170.1-171.6-3.2108.2V101 K105V101-R103 PolarHBondContact O-N 2.84Å; R103-K105 PolarHBondContact O-N 3.46Å; R103-K105 VanDerWaalsContact O-N 3.12Å
104S35.2Very low39.6Very low103 Ų103143.2 Ų143.272%0.7280%0.795SS**  trans-59116.1-178.8-64.20000109.7A102 I106A102-S104 VanDerWaalsContact C-N 3.27Å; A102-S104 PolarHBondContact O-N 3.37Å; S104-I106 PolarHBondContact O-N 2.83Å
105K40.3Very low40.6Very low195 Ų195143.4 Ų143.485%0.84880%0.797SS**  trans-58.2109.7169.9-82.1170176.7171.10107.8R103 K107R103-K105 PolarHBondContact O-N 3.46Å; R103-K105 VanDerWaalsContact O-N 3.12Å; K105-K107 PolarHBondContact O-N 3.15Å; K105-K107 VanDerWaalsContact O-N 3.16Å
106I46.6Very low41.8Very low122 Ų122143.8 Ų143.863%0.62680%0.795SS**  trans-60.8114.1173.9-57167.9000107S104 F108S104-I106 PolarHBondContact O-N 2.83Å; I106-F108 HydrophobicContact CG2-CE1 4.2Å; I106-F108 HydrophobicContact CG2-CE2 4.12Å; I106-F108 HydrophobicContact CG2-CZ 3.94Å
107K39.2Very low42.8Very low178 Ų178143.7 Ų143.777%0.77478%0.782SS**  trans-98.1117.2172.7-72.3-175-180178.30107.9K105K105-K107 PolarHBondContact O-N 3.15Å; K105-K107 VanDerWaalsContact O-N 3.16Å
108F37.4Very low44.5Very low150 Ų150138.6 Ų138.666%0.65877%0.767SS**  trans-81.7117.1176.9-60.5-89.2000108.8I106I106-F108 HydrophobicContact CG2-CE1 4.2Å; I106-F108 HydrophobicContact CG2-CE2 4.12Å; I106-F108 HydrophobicContact CG2-CZ 3.94Å
109T41.5Very low46.7Very low128 Ų128131.6 Ų131.679%0.78573%0.734SS**  trans-105.6110.5170.855.80000109
110T50.8Low49.1Very low132 Ų132123.4 Ų123.481%0.8171%0.711SS**  trans-84.4113.4173.447.30000109.5
111G44.2Very low51.3Low77 Ų77117.6 Ų117.679%0.79467%0.674SS**  trans-115.8121.9167.300000110.1
112T56.7Low53.3Low135 Ų135117.1 Ų117.183%0.82867%0.666SS**  trans-78.8150.1173.550.30000109.6
113C39Very low55.2Low114 Ų114119.3 Ų119.377%0.7767%0.667SS**SBend-148.7152.765.5-61.50000112
114S47.7Very low56.9Low114 Ų114110 Ų11080%0.79764%0.639SS**SBendtrans80.470.5-179-42.40000116.1S116S114-S116 PolarHBondContact O-N 2.75Å
115D50Low58.9Low173 Ų173108 Ų10893%0.92564%0.635SS**SBendtrans22.857156.1-67.1-20.7000119.4
116S56.6Low60.6Low90 Ų90102.1 Ų102.163%0.62961%0.609SS**  trans-149.5113.4151.7-76.60000107.1S114 V118S114-S116 PolarHBondContact O-N 2.75Å; S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 3.26Å
117V60.4Low62.3Low108 Ų10898.5 Ų98.566%0.65560%0.602SS**  trans-63.898.8169.91790000107.1
118V70.8Confident64.3Low80 Ų8091.7 Ų91.749%0.48557%0.573SS.*  trans-86.3114.1174.7179.60000107.3S116 S120 F128S116-V118 VanDerWaalsContact C-N 3.31Å; S116-V118 PolarHBondContact O-N 3.26Å; V118-S120 PolarHBondContact O-N 3.29Å; V118-F128 CarbonylContact C-O 3.35Å; V118-F128 WeakPolarHBondContact CA-O 3.44Å
119H78.7Confident66.3Low48 Ų4895.2 Ų95.222%0.22258%0.581CS.*EExtended strand (participates in β ladder)trans-78103.7173.5-61-81.6000108.9F128 L130 Q131 L134H119-F128 PolarHBondContact N-O 3.08Å; H119-F128 WeakPolarHBondContact O-CB 3.36Å; H119-F128 WeakPolarHBondContact O-CD2 3.16Å; H119-F128 PolarHBondContact O-N 3.11Å; H119-L130 VanDerWaalsContact CD2-C 3.42Å; H119-Q131 PolarHBondContact CD2-N 3.09Å; H119-Q131 PolarHBondContact CE1-OE1 3.34Å; H119-Q131 PolarHBondContact ND1-OE1 2.81Å; H119-Q131 PolarHBondContact NE2-N 3.36Å; H119-L134 HydrophobicContact CB-CB 4.05Å; H119-L134 HydrophobicContact CB-CD2 3.78Å
120S81.8Confident68.1Low56 Ų5692.9 Ų92.939%0.39256%0.564SS.*EExtended strand (participates in β ladder)trans-86.8150.4-177.950.10000113V118 K126 L134V118-S120 PolarHBondContact O-N 3.29Å; S120-K126 CarbonylContact C-O 3.55Å; S120-K126 WeakPolarHBondContact CA-O 3.47Å; S120-L134 WeakPolarHBondContact O-CD1 3.38Å; S120-L134 VanDerWaalsContact O-CD2 3.27Å; S120-L134 WeakPolarHBondContact O-CD2 3.47Å
121C82.4Confident69.4Low2 Ų289.3 Ų89.31%0.01454%0.538CS..  trans-91120.8171-179.50000110.4L123 C124 G125 K126 F128 L134 H137 H141C121-L123 PolarHBondContact O-N 3.43Å; C121-C124 PolarHBondContact O-N 3.34Å; C121-C124 VanDerWaalsContact SG-SG 3.65Å; C121-G125 WeakPolarHBondContact O-CA 3.38Å; C121-G125 PolarHBondContact O-N 3.44Å; C121-K126 HydrophobicContact CB-CB 4.46Å; C121-K126 PolarHBondContact N-O 3.4Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; C121-L134 HydrophobicContact CB-CD1 3.67Å; C121-H137 PolarHBondContact SG-CD2 3.02Å; C121-H137 PolarHBondContact SG-NE2 2.94Å; C121-H141 PolarHBondContact SG-NE2 3.31Å
122D78.6Confident70.9Confident137 Ų13793.8 Ų93.873%0.73353%0.531SS*.THydrogen-bonded Turntrans-71-18.3-178.7-53.9-35.1000113.1
123L76.7Confident71.8Confident119 Ų11989.2 Ų89.262%0.62350%0.501SS*.THydrogen-bonded Turntrans-85.3-24.6-178.6-61.9175.1000113.4C121 L138 H141C121-L123 PolarHBondContact O-N 3.43Å; L123-L138 HydrophobicContact CD1-CD2 4.46Å; L123-H141 HydrophobicContact CD1-CB 3.59Å; L123-H141 VanDerWaalsContact CD1-CG 3.45Å
124C80.2Confident73.7Confident49 Ų4984.4 Ų84.433%0.33147%0.467SS..THydrogen-bonded Turntrans-144.310.5-177.468.60000114.5C121 K126 H137C121-C124 PolarHBondContact O-N 3.34Å; C121-C124 VanDerWaalsContact SG-SG 3.65Å; C124-K126 PolarHBondContact O-N 2.97Å; C124-H137 VanDerWaalsContact SG-CE1 3.53Å; C124-H137 PolarHBondContact SG-NE2 3.29Å
125G76.4Confident75.1Confident61 Ų6182.8 Ų82.863%0.62945%0.45SS*.  trans68.8-017800000115.8C121 G127C121-G125 WeakPolarHBondContact O-CA 3.38Å; C121-G125 PolarHBondContact O-N 3.44Å; G125-G127 PolarHBondContact O-N 3.13Å
126K77.9Confident76.2Confident71 Ų7179 Ų7931%0.30942%0.422SS..  trans-69.1125.2-173.7-71.8-174.3-179.5-165.40112.5C47 S49 S120 C121 C124 F128C47-K126 PolarHBondContact O-NZ 3.33Å; S49-K126 PolarHBondContact OG-NZ 3.4Å; S120-K126 CarbonylContact C-O 3.55Å; S120-K126 WeakPolarHBondContact CA-O 3.47Å; C121-K126 HydrophobicContact CB-CB 4.46Å; C121-K126 PolarHBondContact N-O 3.4Å; C124-K126 PolarHBondContact O-N 2.97Å; K126-F128 HydrophobicContact CB-CE2 3.76Å; K126-F128 HydrophobicContact CB-CZ 3.96Å; K126-F128 VanDerWaalsContact O-CD2 3.32Å; K126-F128 WeakPolarHBondContact O-CD2 3.44Å; K126-F128 VanDerWaalsContact O-CE2 3.26Å; K126-F128 WeakPolarHBondContact O-CE2 3.45Å
127G81.4Confident77.2Confident47 Ų4775.3 Ų75.349%0.48540%0.395SS..EExtended strand (participates in β ladder)trans-85.7133.4176.200000113.7G125G125-G127 PolarHBondContact O-N 3.13Å
128F81.3Confident77.9Confident35 Ų3572.9 Ų72.915%0.15438%0.378CS..EExtended strand (participates in β ladder)trans-122.8139.6177.8-61.7-86.7000111.7V118 H119 C121 K126 L130 M133 L134 H137V118-F128 CarbonylContact C-O 3.35Å; V118-F128 WeakPolarHBondContact CA-O 3.44Å; H119-F128 PolarHBondContact N-O 3.08Å; H119-F128 WeakPolarHBondContact O-CB 3.36Å; H119-F128 WeakPolarHBondContact O-CD2 3.16Å; H119-F128 PolarHBondContact O-N 3.11Å; C121-F128 HydrophobicContact CB-CE2 4.21Å; K126-F128 HydrophobicContact CB-CE2 3.76Å; K126-F128 HydrophobicContact CB-CZ 3.96Å; K126-F128 VanDerWaalsContact O-CD2 3.32Å; K126-F128 WeakPolarHBondContact O-CD2 3.44Å; K126-F128 VanDerWaalsContact O-CE2 3.26Å; K126-F128 WeakPolarHBondContact O-CE2 3.45Å; F128-L130 PolarHBondContact O-N 3.31Å; F128-M133 HydrophobicContact CB-CB 4.03Å; F128-M133 HydrophobicContact CD1-CB 3.86Å; F128-M133 HydrophobicContact CG-CB 4.23Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 3.94Å; F128-L134 HydrophobicContact CD2-CD1 3.75Å; F128-L134 HydrophobicContact CD2-CG 4.46Å; F128-L134 HydrophobicContact CE2-CD1 3.98Å; F128-L134 HydrophobicContact CG-CB 4.26Å; F128-H137 HydrophobicContact CE1-CB 3.89Å; F128-H137 HydrophobicContact CE2-CB 3.77Å; F128-H137 AromaticContact CE2-CD2 3.53Å; F128-H137 AromaticContact CE2-CG 3.56Å; F128-H137 HydrophobicContact CZ-CB 3.35Å; F128-H137 AromaticContact CZ-CD2 3.66Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.6Å
129R78.8Confident77.9Confident223 Ų22373.7 Ų73.784%0.84238%0.375SS*.SBendtrans-70.5-15.1179.4-62.2-173.8179.1-169.6-1.6114.7
130L78.9Confident77.4Confident80 Ų8073.8 Ų73.842%0.41938%0.381SS..SBendtrans-141.7138-176.2-64.3170.7000110.1H119 F128 R132 M133 L134H119-L130 VanDerWaalsContact CD2-C 3.42Å; F128-L130 PolarHBondContact O-N 3.31Å; L130-R132 HydrophobicContact CB-CG 4.04Å; L130-R132 HydrophobicContact CD1-CG 4.46Å; L130-R132 PolarHBondContact O-N 3.4Å; L130-M133 HydrophobicContact CB-CB 4.47Å; L130-M133 HydrophobicContact CB-CG 3.97Å; L130-M133 HydrophobicContact CD1-CG 4.46Å; L130-M133 WeakPolarHBondContact O-CA 3.24Å; L130-M133 VanDerWaalsContact O-CB 3.31Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.85Å; L130-L134 PolarHBondContact O-N 3.16Å
131Q78.1Confident76.9Confident57 Ų5773.6 Ų73.627%0.26637%0.373SS..Hα-helixtrans-55.2-37.6177.1-174.464.938.100112.6H119 M133 L134 N135H119-Q131 PolarHBondContact CD2-N 3.09Å; H119-Q131 PolarHBondContact CE1-OE1 3.34Å; H119-Q131 PolarHBondContact ND1-OE1 2.81Å; H119-Q131 PolarHBondContact NE2-N 3.36Å; Q131-M133 PolarHBondContact O-N 3.37Å; Q131-L134 PolarHBondContact O-N 3.08Å; Q131-N135 PolarHBondContact NE2-OD1 3.42Å; Q131-N135 PolarHBondContact O-N 3.12Å
132R75.9Confident76Confident170 Ų17079.1 Ų79.164%0.64240%0.403SS*.Hα-helixtrans-61-30.1176.569.7177.8-179.6117.9-0.4113.1L130 R136L130-R132 HydrophobicContact CB-CG 4.04Å; L130-R132 HydrophobicContact CD1-CG 4.46Å; L130-R132 PolarHBondContact O-N 3.4Å; R132-R136 WeakPolarHBondContact O-CB 3.17Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.1Å
133M76.7Confident75.1Confident39 Ų3979.3 Ų79.319%0.19240%0.4CS..Hα-helixtrans-76.2-41.3178.6-64.1-69.1147.800110.6F128 L130 Q131 R136 H137F128-M133 HydrophobicContact CB-CB 4.03Å; F128-M133 HydrophobicContact CD1-CB 3.86Å; F128-M133 HydrophobicContact CG-CB 4.23Å; L130-M133 HydrophobicContact CB-CB 4.47Å; L130-M133 HydrophobicContact CB-CG 3.97Å; L130-M133 HydrophobicContact CD1-CG 4.46Å; L130-M133 WeakPolarHBondContact O-CA 3.24Å; L130-M133 VanDerWaalsContact O-CB 3.31Å; L130-M133 WeakPolarHBondContact O-CB 3.36Å; L130-M133 PolarHBondContact O-N 2.85Å; Q131-M133 PolarHBondContact O-N 3.37Å; M133-R136 PolarHBondContact O-N 3.41Å; M133-R136 PolarHBondContact SD-NH2 3.21Å; M133-H137 WeakPolarHBondContact O-CB 3.44Å; M133-H137 PolarHBondContact O-N 2.57Å
134L79.3Confident74.2Confident14 Ų1477.3 Ų77.37%0.07339%0.392CS..Hα-helixtrans-60.2-49.4171175.261.4000111.1H119 S120 C121 F128 L130 Q131 R136 H137 L138H119-L134 HydrophobicContact CB-CB 4.05Å; H119-L134 HydrophobicContact CB-CD2 3.78Å; S120-L134 WeakPolarHBondContact O-CD1 3.38Å; S120-L134 VanDerWaalsContact O-CD2 3.27Å; S120-L134 WeakPolarHBondContact O-CD2 3.47Å; C121-L134 HydrophobicContact CB-CD1 3.67Å; F128-L134 HydrophobicContact CB-CB 4.24Å; F128-L134 HydrophobicContact CD2-CB 3.94Å; F128-L134 HydrophobicContact CD2-CD1 3.75Å; F128-L134 HydrophobicContact CD2-CG 4.46Å; F128-L134 HydrophobicContact CE2-CD1 3.98Å; F128-L134 HydrophobicContact CG-CB 4.26Å; L130-L134 PolarHBondContact O-N 3.16Å; Q131-L134 PolarHBondContact O-N 3.08Å; L134-R136 VanDerWaalsContact C-N 3.28Å; L134-R136 PolarHBondContact O-N 3Å; L134-H137 CarbonylContact O-C 3.57Å; L134-H137 WeakPolarHBondContact O-CA 3.31Å; L134-H137 WeakPolarHBondContact O-CB 3.44Å; L134-H137 PolarHBondContact O-N 3.23Å; L134-L138 HydrophobicContact CD1-CD1 4.49Å; L134-L138 HydrophobicContact CD1-CD2 4.47Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 2.73Å
135N76.8Confident73.4Confident79 Ų7979.7 Ų79.742%0.42240%0.397SS..Hα-helixtrans-59.6-36.8177.9-73.1-14000112.7Q131Q131-N135 PolarHBondContact NE2-OD1 3.42Å; Q131-N135 PolarHBondContact O-N 3.12Å
136R72.7Confident72.8Confident93 Ų9385.6 Ų85.635%0.35140%0.4SS..Hα-helixtrans-67-41.9173-179.2174.464173.16.4111.5R132 M133 L134 K139R132-R136 WeakPolarHBondContact O-CB 3.17Å; R132-R136 PolarHBondContact O-N 3.41Å; R132-R136 VanDerWaalsContact O-N 3.1Å; M133-R136 PolarHBondContact O-N 3.41Å; M133-R136 PolarHBondContact SD-NH2 3.21Å; L134-R136 VanDerWaalsContact C-N 3.28Å; L134-R136 PolarHBondContact O-N 3Å; R136-K139 WeakPolarHBondContact O-CB 3.4Å; R136-K139 PolarHBondContact O-N 3.48Å
137H77.3Confident72.4Confident14 Ų1484.9 Ų84.97%0.06540%0.398CS..Hα-helixtrans-63.5-40.1177.316973.2000112.4C121 C124 F128 M133 L134 K139 C140 H141C121-H137 PolarHBondContact SG-CD2 3.02Å; C121-H137 PolarHBondContact SG-NE2 2.94Å; C124-H137 VanDerWaalsContact SG-CE1 3.53Å; C124-H137 PolarHBondContact SG-NE2 3.29Å; F128-H137 HydrophobicContact CE1-CB 3.89Å; F128-H137 HydrophobicContact CE2-CB 3.77Å; F128-H137 AromaticContact CE2-CD2 3.53Å; F128-H137 AromaticContact CE2-CG 3.56Å; F128-H137 HydrophobicContact CZ-CB 3.35Å; F128-H137 AromaticContact CZ-CD2 3.66Å; F128-H137 AromaticContact CZ-CG 3.2Å; F128-H137 AromaticContact CZ-ND1 3.6Å; M133-H137 WeakPolarHBondContact O-CB 3.44Å; M133-H137 PolarHBondContact O-N 2.57Å; L134-H137 CarbonylContact O-C 3.57Å; L134-H137 WeakPolarHBondContact O-CA 3.31Å; L134-H137 WeakPolarHBondContact O-CB 3.44Å; L134-H137 PolarHBondContact O-N 3.23Å; H137-K139 PolarHBondContact O-N 2.93Å; H137-K139 VanDerWaalsContact O-N 3.14Å; H137-C140 WeakPolarHBondContact O-CB 2.94Å; H137-C140 PolarHBondContact O-N 3.48Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.59Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-NE2 3.05Å; H137-H141 PolarHBondContact NE2-NE2 3.37Å
138L74.9Confident71.8Confident57 Ų5788 Ų8830%0.29840%0.402SS..Hα-helixtrans-59.4-25.5176.8-69.6174.6000113.2L123 L134 C140 H141L123-L138 HydrophobicContact CD1-CD2 4.46Å; L134-L138 HydrophobicContact CD1-CD1 4.49Å; L134-L138 HydrophobicContact CD1-CD2 4.47Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 HydrophobicContact CG-CG 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.35Å; L134-L138 PolarHBondContact O-N 2.73Å; L138-C140 PolarHBondContact O-N 3.27Å; L138-H141 PolarHBondContact O-N 3.47Å
139K70.9Confident71.4Confident96 Ų9686.5 Ų86.542%0.41740%0.396SS..Hα-helixtrans-66.5-23.9173.3-61.6178.7-179.2-178.70113.1R136 H137 N157R136-K139 WeakPolarHBondContact O-CB 3.4Å; R136-K139 PolarHBondContact O-N 3.48Å; H137-K139 PolarHBondContact O-N 2.93Å; H137-K139 VanDerWaalsContact O-N 3.14Å; K139-N157 HydrophobicContact CB-CB 4.31Å
140C68.9Low71Confident50 Ų5080.3 Ų80.334%0.33838%0.384SS..Hα-helixtrans-67.6-38.6176-164.20000111.7H137 L138 N142 Q143H137-C140 WeakPolarHBondContact O-CB 2.94Å; H137-C140 PolarHBondContact O-N 3.48Å; L138-C140 PolarHBondContact O-N 3.27Å; C140-N142 VanDerWaalsContact C-N 3.34Å; C140-N142 PolarHBondContact O-N 3.25Å; C140-Q143 PolarHBondContact O-N 3.1Å
141H70.6Confident70.4Confident52 Ų5281.3 Ų81.324%0.24139%0.385CS..Hα-helixtrans-67.3-34.5178.5-69.7-64.6000112.7C121 L123 H137 L138 Q143C121-H141 PolarHBondContact SG-NE2 3.31Å; L123-H141 HydrophobicContact CD1-CB 3.59Å; L123-H141 VanDerWaalsContact CD1-CG 3.45Å; H137-H141 AromaticContact CD2-NE2 3.94Å; H137-H141 AromaticContact CE1-NE2 3.59Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-NE2 3.05Å; H137-H141 PolarHBondContact NE2-NE2 3.37Å; L138-H141 PolarHBondContact O-N 3.47Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 3.18Å
142N63.4Low70.1Confident119 Ų11981.7 Ų81.764%0.63639%0.393SS*.THydrogen-bonded Turntrans-830.1-178.8-68.9-16.9000113.8C140 V144C140-N142 VanDerWaalsContact C-N 3.34Å; C140-N142 PolarHBondContact O-N 3.25Å; N142-V144 HydrophobicContact CB-CG2 4.25Å; N142-V144 VanDerWaalsContact O-CG2 3.25Å; N142-V144 WeakPolarHBondContact O-CG2 3.35Å; N142-V144 PolarHBondContact O-N 3.49Å
143Q60.9Low69.7Low141 Ų14176 Ų7666%0.65939%0.388SS*.  trans508.4-176.6-61.8-171.2-7.800116.3C140 H141 K145C140-Q143 PolarHBondContact O-N 3.1Å; H141-Q143 VanDerWaalsContact C-N 3.27Å; H141-Q143 PolarHBondContact O-N 3.18Å; Q143-K145 PolarHBondContact O-N 3.14Å
144V56.6Low69.5Low77 Ų7779.9 Ų79.947%0.46740%0.403SS..  trans-78.276.3178.5-168.30000109.5N142 R146N142-V144 HydrophobicContact CB-CG2 4.25Å; N142-V144 VanDerWaalsContact O-CG2 3.25Å; N142-V144 WeakPolarHBondContact O-CG2 3.35Å; N142-V144 PolarHBondContact O-N 3.49Å; V144-R146 HydrophobicContact CG1-CG 3.8Å; V144-R146 PolarHBondContact O-N 3.36Å; V144-R146 VanDerWaalsContact O-N 3.15Å
145K63.8Low69.2Low98 Ų9879.8 Ų79.843%0.42641%0.406SS..  trans-72.697.9168.6-76.6165170.4173.40108.6Q143 G155Q143-K145 PolarHBondContact O-N 3.14Å; K145-G155 VanDerWaalsContact CD-O 3.23Å; K145-G155 WeakPolarHBondContact CD-O 3.22Å; K145-G155 WeakPolarHBondContact CE-O 3.49Å
146R64.9Low69.2Low185 Ų18577.7 Ų77.770%0.69839%0.393SS*.  trans-79.8-18.1-175.4-63.1-177.9-176.1-120.5-1.4113.9V144 F156V144-R146 HydrophobicContact CG1-CG 3.8Å; V144-R146 PolarHBondContact O-N 3.36Å; V144-R146 VanDerWaalsContact O-N 3.15Å; R146-F156 PolarHBondContact N-O 3Å
147H69Low69Low57 Ų5774.7 Ų74.726%0.26438%0.384SS..EExtended strand (participates in β ladder)trans-118.5102.3-171-59.7-61.6000110.4G155 F156 D158 T159 L162H147-G155 CarbonylContact O-C 3.49Å; H147-F156 HydrophobicContact CB-CB 4.31Å; H147-F156 PolarHBondContact N-O 3.45Å; H147-F156 VanDerWaalsContact N-O 3.1Å; H147-F156 PolarHBondContact O-N 3.01Å; H147-D158 VanDerWaalsContact CD2-C 3.48Å; H147-T159 PolarHBondContact CD2-N 3.45Å; H147-T159 WeakPolarHBondContact CE1-CG2 3.37Å; H147-L162 HydrophobicContact CB-CB 4.22Å; H147-L162 HydrophobicContact CB-CD2 3.87Å
148L68.6Low68.5Low111 Ų11176.5 Ų76.558%0.58139%0.394SS*.EExtended strand (participates in β ladder)trans-91.1142-178.4-59174.8000111
149C72.4Confident68Low4 Ų476.8 Ų76.83%0.02740%0.398CS..  trans-77.8129.3169.8-175.50000110.6F151 C152 G153 K154 F156 L162 H165C149-F151 VanDerWaalsContact C-N 3.32Å; C149-F151 PolarHBondContact O-N 2.9Å; C149-C152 VanDerWaalsContact SG-SG 3.68Å; C149-G153 WeakPolarHBondContact O-CA 3.5Å; C149-G153 PolarHBondContact O-N 3Å; C149-K154 HydrophobicContact CB-CB 4.48Å; C149-K154 WeakPolarHBondContact CB-O 3.45Å; C149-K154 PolarHBondContact N-O 2.88Å; C149-F156 HydrophobicContact CB-CE2 4.16Å; C149-L162 HydrophobicContact CB-CD1 3.8Å; C149-H165 PolarHBondContact SG-CD2 3.31Å; C149-H165 PolarHBondContact SG-NE2 3.47Å
150T70.1Confident68Low94 Ų9477.3 Ų77.358%0.57740%0.401SS*.THydrogen-bonded Turntrans-72.8-24.7178.650.50000113.1
151F66.1Low68.2Low100 Ų10076.2 Ų76.244%0.43939%0.392SS..THydrogen-bonded Turntrans-80.2-32-179.9-65.8-83.6000113.6C149 V166 H169 T170C149-F151 VanDerWaalsContact C-N 3.32Å; C149-F151 PolarHBondContact O-N 2.9Å; F151-V166 HydrophobicContact CD2-CG1 4.43Å; F151-V166 HydrophobicContact CE2-CG1 3.9Å; F151-H169 HydrophobicContact CB-CB 4.22Å; F151-H169 HydrophobicContact CD1-CB 4.11Å; F151-H169 HydrophobicContact CD2-CB 4Å; F151-H169 AromaticContact CD2-CD2 3.96Å; F151-H169 HydrophobicContact CE2-CB 4.41Å; F151-H169 HydrophobicContact CG-CB 3.84Å; F151-H169 AromaticContact CG-CD2 3.91Å; F151-H169 AromaticContact CG-CG 3.75Å; F151-T170 HydrophobicContact CZ-CG2 4.25Å
152C72.3Confident68.5Low66 Ų6675.3 Ų75.345%0.44639%0.388SS..THydrogen-bonded Turntrans-141.47.1-172.167.50000114.9C149 K154 H165 H169C149-C152 VanDerWaalsContact SG-SG 3.68Å; C152-K154 PolarHBondContact O-N 3.43Å; C152-H165 PolarHBondContact SG-NE2 2.85Å; C152-H169 PolarHBondContact SG-NE2 2.99Å; C152-H169 VanDerWaalsContact SG-NE2 3.43Å
153G67.8Low68.9Low51 Ų5173.5 Ų73.553%0.52638%0.375SS..  trans69.6-4.3179.400000115.4C149 G155C149-G153 WeakPolarHBondContact O-CA 3.5Å; C149-G153 PolarHBondContact O-N 3Å; G153-G155 PolarHBondContact O-N 3.15Å
154K72.4Confident69.6Low120 Ų12071.1 Ų71.152%0.52236%0.36SS..  trans-63.2129.4-175.6-168.8165.9-174.4166.90111.5C149 C152 F156C149-K154 HydrophobicContact CB-CB 4.48Å; C149-K154 WeakPolarHBondContact CB-O 3.45Å; C149-K154 PolarHBondContact N-O 2.88Å; C152-K154 PolarHBondContact O-N 3.43Å; K154-F156 HydrophobicContact CB-CE2 4.03Å; K154-F156 HydrophobicContact CB-CZ 4.31Å; K154-F156 HydrophobicContact CD-CZ 4.09Å; K154-F156 HydrophobicContact CG-CE2 4.05Å; K154-F156 HydrophobicContact CG-CZ 3.96Å; K154-F156 VanDerWaalsContact O-CD2 3.29Å; K154-F156 WeakPolarHBondContact O-CD2 3.36Å; K154-F156 WeakPolarHBondContact O-CE2 3.3Å
155G73.3Confident70.7Confident12 Ų1269.1 Ų69.112%0.12435%0.345CS..EExtended strand (participates in β ladder)trans-91.8140.6-178.700000114.7K145 H147 G153K145-G155 VanDerWaalsContact CD-O 3.23Å; K145-G155 WeakPolarHBondContact CD-O 3.22Å; K145-G155 WeakPolarHBondContact CE-O 3.49Å; H147-G155 CarbonylContact O-C 3.49Å; G153-G155 PolarHBondContact O-N 3.15Å
156F75.3Confident71Confident34 Ų3464.8 Ų64.815%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-126151.9-178.7-62.1-89.3000111.3R146 H147 C149 K154 D161 L162 H165R146-F156 PolarHBondContact N-O 3Å; H147-F156 HydrophobicContact CB-CB 4.31Å; H147-F156 PolarHBondContact N-O 3.45Å; H147-F156 VanDerWaalsContact N-O 3.1Å; H147-F156 PolarHBondContact O-N 3.01Å; C149-F156 HydrophobicContact CB-CE2 4.16Å; K154-F156 HydrophobicContact CB-CE2 4.03Å; K154-F156 HydrophobicContact CB-CZ 4.31Å; K154-F156 HydrophobicContact CD-CZ 4.09Å; K154-F156 HydrophobicContact CG-CE2 4.05Å; K154-F156 HydrophobicContact CG-CZ 3.96Å; K154-F156 VanDerWaalsContact O-CD2 3.29Å; K154-F156 WeakPolarHBondContact O-CD2 3.36Å; K154-F156 WeakPolarHBondContact O-CE2 3.3Å; F156-D161 HydrophobicContact CB-CB 4.4Å; F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CG-CB 4.5Å; F156-L162 HydrophobicContact CB-CB 4.13Å; F156-L162 HydrophobicContact CD2-CB 3.97Å; F156-L162 HydrophobicContact CD2-CD1 3.68Å; F156-L162 HydrophobicContact CD2-CG 4.43Å; F156-L162 HydrophobicContact CE2-CD1 3.96Å; F156-L162 HydrophobicContact CG-CB 4.11Å; F156-H165 HydrophobicContact CE1-CB 3.69Å; F156-H165 AromaticContact CE1-CG 3.98Å; F156-H165 HydrophobicContact CE2-CB 3.91Å; F156-H165 AromaticContact CE2-CD2 3.4Å; F156-H165 VanDerWaalsContact CE2-CD2 3.4Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; F156-H165 AromaticContact CE2-CG 3.64Å; F156-H165 HydrophobicContact CZ-CB 3.31Å; F156-H165 AromaticContact CZ-CD2 3.39Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.4Å; F156-H165 AromaticContact CZ-CG 3.12Å; F156-H165 AromaticContact CZ-ND1 3.63Å
157N68.6Low71.6Confident31 Ų3156.4 Ų56.417%0.16630%0.295CS..SBendtrans-85.1-15.4-179.4-65.8-25.2000113.3K139K139-N157 HydrophobicContact CB-CB 4.31Å
158D66.7Low72Confident51 Ų5158.2 Ų58.227%0.27331%0.311SS..SBendtrans-142.7145.8-179.1-165.7-14000110.6H147 F160 D161 L162H147-D158 VanDerWaalsContact CD2-C 3.48Å; D158-F160 PolarHBondContact O-N 3.32Å; D158-F160 PolarHBondContact OD1-N 3.29Å; D158-D161 PolarHBondContact O-N 3.48Å; D158-L162 PolarHBondContact O-N 3.47Å; D158-L162 VanDerWaalsContact O-N 3.14Å
159T66.3Low72.2Confident64 Ų6456.9 Ų56.939%0.39330%0.301SS..Hα-helixtrans-58.7-33.7172.361.70000112.5H147 L162 K163H147-T159 PolarHBondContact CD2-N 3.45Å; H147-T159 WeakPolarHBondContact CE1-CG2 3.37Å; T159-L162 PolarHBondContact O-N 2.87Å; T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 VanDerWaalsContact O-CG 3.25Å; T159-K163 WeakPolarHBondContact O-CG 3.19Å; T159-K163 PolarHBondContact O-N 3.42Å
160F70.4Confident71.9Confident106 Ų10659.1 Ų59.147%0.46532%0.315SS..Hα-helixtrans-64.6-42.9178.1-179.2-95.3000111.5D158 K163 R164D158-F160 PolarHBondContact O-N 3.32Å; D158-F160 PolarHBondContact OD1-N 3.29Å; F160-K163 PolarHBondContact O-N 3.11Å; F160-R164 PolarHBondContact O-N 2.85Å
161D73.7Confident71.9Confident28 Ų2857 Ų5715%0.1531%0.312CS..Hα-helixtrans-68.1-40.5179-69.1-43.3000111.4F156 D158 R164 H165F156-D161 HydrophobicContact CB-CB 4.4Å; F156-D161 HydrophobicContact CD1-CB 3.91Å; F156-D161 HydrophobicContact CG-CB 4.5Å; D158-D161 PolarHBondContact O-N 3.48Å; D161-R164 PolarHBondContact O-N 3.3Å; D161-R164 IonicContact OD1-CZ 3.12Å; D161-R164 IonicContact OD1-NE 2.85Å; D161-R164 IonicContact OD1-NH2 3.38Å; D161-R164 PolarHBondContact OD1-NH2 2.81Å; D161-H165 WeakPolarHBondContact O-CB 3.5Å; D161-H165 PolarHBondContact O-N 3.27Å
162L75.1Confident72Confident32 Ų3254.3 Ų54.317%0.16830%0.302CS..Hα-helixtrans-59.2-48.4171.8173.360.8000111.5H147 C149 F156 D158 T159 R164 H165 V166H147-L162 HydrophobicContact CB-CB 4.22Å; H147-L162 HydrophobicContact CB-CD2 3.87Å; C149-L162 HydrophobicContact CB-CD1 3.8Å; F156-L162 HydrophobicContact CB-CB 4.13Å; F156-L162 HydrophobicContact CD2-CB 3.97Å; F156-L162 HydrophobicContact CD2-CD1 3.68Å; F156-L162 HydrophobicContact CD2-CG 4.43Å; F156-L162 HydrophobicContact CE2-CD1 3.96Å; F156-L162 HydrophobicContact CG-CB 4.11Å; D158-L162 PolarHBondContact O-N 3.47Å; D158-L162 VanDerWaalsContact O-N 3.14Å; T159-L162 PolarHBondContact O-N 2.87Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.71Å; L162-H165 WeakPolarHBondContact O-CB 3.3Å; L162-H165 PolarHBondContact O-N 3.45Å; L162-H165 VanDerWaalsContact O-N 3.11Å; L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 HydrophobicContact CG-CG2 4.47Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.8Å
163K72.3Confident72.2Confident81 Ų8157.1 Ų57.135%0.35230%0.303SS..Hα-helixtrans-60.5-41.1179.3-75.2178.2179.5-177.70112.5T159 F160 V166 L213T159-K163 WeakPolarHBondContact O-CB 3.45Å; T159-K163 VanDerWaalsContact O-CG 3.25Å; T159-K163 WeakPolarHBondContact O-CG 3.19Å; T159-K163 PolarHBondContact O-N 3.42Å; F160-K163 PolarHBondContact O-N 3.11Å; K163-V166 PolarHBondContact O-N 3.39Å; K163-L213 HydrophobicContact CB-CD1 3.99Å; K163-L213 HydrophobicContact CG-CD1 4.07Å
164R75.2Confident72.4Confident92 Ų9256.6 Ų56.635%0.34729%0.29SS..Hα-helixtrans-63.4-43.7174.3175.3174.156.4160.9-2110.9F160 D161 L162 R167F160-R164 PolarHBondContact O-N 2.85Å; D161-R164 PolarHBondContact O-N 3.3Å; D161-R164 IonicContact OD1-CZ 3.12Å; D161-R164 IonicContact OD1-NE 2.85Å; D161-R164 IonicContact OD1-NH2 3.38Å; D161-R164 PolarHBondContact OD1-NH2 2.81Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 2.71Å; R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.22Å
165H80.5Confident72.6Confident34 Ų3452.1 Ų52.116%0.15727%0.27CS..Hα-helixtrans-62-42.3177.9169.370.9000112.4C149 C152 F156 D161 L162 R167 T168 H169C149-H165 PolarHBondContact SG-CD2 3.31Å; C149-H165 PolarHBondContact SG-NE2 3.47Å; C152-H165 PolarHBondContact SG-NE2 2.85Å; F156-H165 HydrophobicContact CE1-CB 3.69Å; F156-H165 AromaticContact CE1-CG 3.98Å; F156-H165 HydrophobicContact CE2-CB 3.91Å; F156-H165 AromaticContact CE2-CD2 3.4Å; F156-H165 VanDerWaalsContact CE2-CD2 3.4Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.49Å; F156-H165 AromaticContact CE2-CG 3.64Å; F156-H165 HydrophobicContact CZ-CB 3.31Å; F156-H165 AromaticContact CZ-CD2 3.39Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.4Å; F156-H165 AromaticContact CZ-CG 3.12Å; F156-H165 AromaticContact CZ-ND1 3.63Å; D161-H165 WeakPolarHBondContact O-CB 3.5Å; D161-H165 PolarHBondContact O-N 3.27Å; L162-H165 WeakPolarHBondContact O-CB 3.3Å; L162-H165 PolarHBondContact O-N 3.45Å; L162-H165 VanDerWaalsContact O-N 3.11Å; H165-R167 PolarHBondContact O-N 3.5Å; H165-R167 VanDerWaalsContact O-N 3.09Å; H165-T168 VanDerWaalsContact O-CB 3.32Å; H165-T168 WeakPolarHBondContact O-CB 3.3Å; H165-T168 WeakPolarHBondContact O-CG2 3.16Å; H165-T168 PolarHBondContact O-N 2.6Å; H165-T168 PolarHBondContact O-OG1 2.98Å; H165-H169 AromaticContact CE1-NE2 3.58Å; H165-H169 AromaticContact NE2-CD2 3.73Å; H165-H169 AromaticContact NE2-NE2 3.22Å; H165-H169 PolarHBondContact NE2-NE2 3.47Å
166V70.9Confident72.9Confident7 Ų758 Ų584%0.04229%0.292CS..Hα-helixtrans-59-25.1178.7168.90000113F151 L162 K163 T168 H169 T170 T222F151-V166 HydrophobicContact CD2-CG1 4.43Å; F151-V166 HydrophobicContact CE2-CG1 3.9Å; L162-V166 HydrophobicContact CD1-CG2 4.05Å; L162-V166 HydrophobicContact CG-CG2 4.47Å; L162-V166 WeakPolarHBondContact O-CG2 3.23Å; L162-V166 PolarHBondContact O-N 2.8Å; K163-V166 PolarHBondContact O-N 3.39Å; V166-T168 PolarHBondContact O-N 3.01Å; V166-H169 PolarHBondContact O-N 3.13Å; V166-T170 HydrophobicContact CG1-CG2 4.22Å; V166-T170 PolarHBondContact O-N 2.83Å; V166-T170 VanDerWaalsContact O-N 3.15Å; V166-T170 PolarHBondContact O-OG1 3.35Å; V166-T222 WeakPolarHBondContact CG1-OG1 3.4Å
167R77.4Confident73.2Confident10 Ų1056.4 Ų56.44%0.03829%0.285CS..Hα-helixtrans-63-22.3172.7-60.2177.3-172.8163.73.6113.5R164 H165 T170 G171 I172 Y175 T185 D211R164-R167 WeakPolarHBondContact O-CB 3.36Å; R164-R167 PolarHBondContact O-N 3.22Å; H165-R167 PolarHBondContact O-N 3.5Å; H165-R167 VanDerWaalsContact O-N 3.09Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; R167-G171 WeakPolarHBondContact O-CA 3.42Å; R167-G171 PolarHBondContact O-N 2.84Å; R167-I172 PolarHBondContact O-N 3.43Å; R167-Y175 PolarHBondContact NH1-OH 3.02Å; R167-T185 PolarHBondContact NH1-O 3.15Å; R167-D211 IonicContact CZ-OD1 2.87Å; R167-D211 IonicContact CZ-OD2 2.72Å; R167-D211 IonicContact NH2-OD1 3.62Å; R167-D211 PolarHBondContact NH2-OD1 3.33Å; R167-D211 IonicContact NH2-OD2 3.9Å; R167-D211 PolarHBondContact NH2-OD2 2.85Å
168T76.1Confident73.8Confident95 Ų9560.8 Ų60.858%0.58331%0.309SS*.Hα-helixtrans-72.6-32.217765.70000112H165 V166H165-T168 VanDerWaalsContact O-CB 3.32Å; H165-T168 WeakPolarHBondContact O-CB 3.3Å; H165-T168 WeakPolarHBondContact O-CG2 3.16Å; H165-T168 PolarHBondContact O-N 2.6Å; H165-T168 PolarHBondContact O-OG1 2.98Å; V166-T168 PolarHBondContact O-N 3.01Å
169H72.4Confident74.4Confident83 Ų8362.5 Ų62.538%0.38432%0.321SS..Hα-helixtrans-79.4-40.4175.6-66.1-65.9000112F151 C152 H165 V166F151-H169 HydrophobicContact CB-CB 4.22Å; F151-H169 HydrophobicContact CD1-CB 4.11Å; F151-H169 HydrophobicContact CD2-CB 4Å; F151-H169 AromaticContact CD2-CD2 3.96Å; F151-H169 HydrophobicContact CE2-CB 4.41Å; F151-H169 HydrophobicContact CG-CB 3.84Å; F151-H169 AromaticContact CG-CD2 3.91Å; F151-H169 AromaticContact CG-CG 3.75Å; C152-H169 PolarHBondContact SG-NE2 2.99Å; C152-H169 VanDerWaalsContact SG-NE2 3.43Å; H165-H169 AromaticContact CE1-NE2 3.58Å; H165-H169 AromaticContact NE2-CD2 3.73Å; H165-H169 AromaticContact NE2-NE2 3.22Å; H165-H169 PolarHBondContact NE2-NE2 3.47Å; V166-H169 PolarHBondContact O-N 3.13Å
170T67.4Low75.2Confident50 Ų5061.8 Ų61.831%0.30732%0.318SS..Hα-helixtrans-87.2-9.5-175.154.70000113.9F151 V166 R167 I172F151-T170 HydrophobicContact CZ-CG2 4.25Å; V166-T170 HydrophobicContact CG1-CG2 4.22Å; V166-T170 PolarHBondContact O-N 2.83Å; V166-T170 VanDerWaalsContact O-N 3.15Å; V166-T170 PolarHBondContact O-OG1 3.35Å; R167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 PolarHBondContact O-N 3.25Å; T170-I172 VanDerWaalsContact O-N 3.13Å; T170-I172 WeakPolarHBondContact OG1-CD1 3.33Å; T170-I172 WeakPolarHBondContact OG1-CG1 3.43Å
171G70.9Confident75.6Confident51 Ų5162.8 Ų62.853%0.52633%0.328SS..  trans65.711.7-177.100000114.5R167 R173R167-G171 WeakPolarHBondContact O-CA 3.42Å; R167-G171 PolarHBondContact O-N 2.84Å; G171-R173 PolarHBondContact O-N 2.99Å
172I67.6Low76Confident42 Ų4267.8 Ų67.822%0.21535%0.348CS..  trans-71124.5-174.3-63.5168000110.6R167 T170 P174 P224R167-I172 PolarHBondContact O-N 3.43Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 PolarHBondContact O-N 3.25Å; T170-I172 VanDerWaalsContact O-N 3.13Å; T170-I172 WeakPolarHBondContact OG1-CD1 3.33Å; T170-I172 WeakPolarHBondContact OG1-CG1 3.43Å; I172-P174 WeakPolarHBondContact O-CD 3.42Å; I172-P224 HydrophobicContact CD1-CB 4.02Å; I172-P224 HydrophobicContact CD1-CG 3.95Å
173R75.8Confident76.2Confident126 Ų12667.3 Ų67.348%0.47535%0.349SS..  trans-119.682.2-178.2-66.1171.585.9116.40.5110.6G171 Y175 A183 F184 T185G171-R173 PolarHBondContact O-N 2.99Å; R173-Y175 PolarHBondContact O-N 3.43Å; R173-A183 HydrophobicContact CB-CB 3.52Å; R173-A183 HydrophobicContact CG-CB 4.47Å; R173-A183 VanDerWaalsContact NE-C 3.32Å; R173-A183 PolarHBondContact NE-O 3.33Å; R173-A183 PolarHBondContact NH2-O 3.36Å; R173-F184 CarbonylContact C-O 3.57Å; R173-F184 WeakPolarHBondContact CA-O 3.46Å; R173-T185 HydrophobicContact CG-CG2 3.72Å
174P71.8Confident76.6Confident39 Ų3964.9 Ų64.925%0.25334%0.339SS..  trans-74.8-12.5-170.929.2-32.1000113.7I172 F184I172-P174 WeakPolarHBondContact O-CD 3.42Å; P174-F184 WeakPolarHBondContact CD-O 3.36Å
175Y78.1Confident76.7Confident26 Ų2662.5 Ų62.510%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-103.7103.3-176.2-52.3-75.3000110.2R167 R173 A183 F184 T185 Q186 R187 D211R167-Y175 PolarHBondContact NH1-OH 3.02Å; R173-Y175 PolarHBondContact O-N 3.43Å; Y175-A183 CarbonylContact O-C 3.44Å; Y175-A183 VanDerWaalsContact O-CA 3.31Å; Y175-A183 WeakPolarHBondContact O-CA 3.14Å; Y175-F184 WeakPolarHBondContact CD2-O 3.29Å; Y175-F184 PolarHBondContact N-O 3.29Å; Y175-F184 VanDerWaalsContact N-O 3.1Å; Y175-F184 PolarHBondContact O-N 3.31Å; Y175-T185 VanDerWaalsContact CE2-O 3.3Å; Y175-T185 WeakPolarHBondContact CE2-O 3.35Å; Y175-Q186 VanDerWaalsContact CD2-CA 3.45Å; Y175-Q186 VanDerWaalsContact CE2-C 3.44Å; Y175-R187 HydrophobicContact CD1-CB 4.2Å; Y175-R187 HydrophobicContact CE1-CB 3.96Å; Y175-R187 VanDerWaalsContact CE2-N 3.35Å; Y175-D211 PolarHBondContact OH-OD2 3.3Å
176K78.6Confident76.7Confident136 Ų13663.1 Ų63.159%0.59134%0.337SS*.EExtended strand (participates in β ladder)trans-97.6141178.1-63.1-175.1-179.3-1760111.1K182 A183K176-K182 CarbonylContact C-O 3.51Å; K176-A183 HydrophobicContact CG-CB 3.96Å
177C81.9Confident77.1Confident1 Ų169.7 Ų69.71%0.00736%0.362CS..  trans-76.7123.7169.6179.80000109V179 N181 K182 F184 L190 H193 L194C177-V179 PolarHBondContact O-N 2.9Å; C177-V179 PolarHBondContact SG-N 2.87Å; C177-V179 VanDerWaalsContact SG-N 3.45Å; C177-N181 WeakPolarHBondContact O-CA 3.47Å; C177-N181 PolarHBondContact O-N 3.21Å; C177-K182 WeakPolarHBondContact CB-O 3.2Å; C177-K182 PolarHBondContact N-O 3.48Å; C177-F184 HydrophobicContact CB-CE2 4.36Å; C177-L190 HydrophobicContact CB-CD1 3.73Å; C177-H193 PolarHBondContact SG-NE2 2.61Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å; C177-L194 VanDerWaalsContact SG-CD2 3.58Å
178N80.1Confident77.3Confident122 Ų12271.7 Ų71.765%0.65238%0.376SS*.THydrogen-bonded Turntrans-76.4-9.4180-61.3-13000113
179V79.5Confident77.8Confident88 Ų8869 Ų6953%0.53336%0.362SS..THydrogen-bonded Turntrans-93.1-46.3-179.3-172.40000111.1C177 L194 H198C177-V179 PolarHBondContact O-N 2.9Å; C177-V179 PolarHBondContact SG-N 2.87Å; C177-V179 VanDerWaalsContact SG-N 3.45Å; V179-L194 HydrophobicContact CG2-CD2 4.42Å; V179-H198 VanDerWaalsContact CG1-CE1 3.5Å; V179-H198 WeakPolarHBondContact CG1-CE1 3.4Å; V179-H198 WeakPolarHBondContact CG1-ND1 3.46Å
180C83.9Confident78.4Confident48 Ų4866.3 Ų66.332%0.32435%0.35SS..THydrogen-bonded Turntrans-120.59.7-177.369.40000114.5K182 H193 H198C180-K182 PolarHBondContact O-N 3.27Å; C180-H193 VanDerWaalsContact SG-CE1 3.52Å; C180-H193 PolarHBondContact SG-NE2 3.09Å; C180-H198 PolarHBondContact SG-NE2 3.17Å
181N79.4Confident79.2Confident127 Ų12768.8 Ų68.868%0.67936%0.358SS*.  trans58.44.3-179.5-66.7-49.2000116.3C177 A183C177-N181 WeakPolarHBondContact O-CA 3.47Å; C177-N181 PolarHBondContact O-N 3.21Å; N181-A183 PolarHBondContact O-N 3.22Å
182K80.9Confident80Confident133 Ų13369.3 Ų69.358%0.57835%0.353SS*.  trans-62.3128.4174.5-73.7-172178.4-166.50110.7K176 C177 C180 F184K176-K182 CarbonylContact C-O 3.51Å; C177-K182 WeakPolarHBondContact CB-O 3.2Å; C177-K182 PolarHBondContact N-O 3.48Å; C180-K182 PolarHBondContact O-N 3.27Å; K182-F184 HydrophobicContact CB-CE2 3.99Å; K182-F184 HydrophobicContact CB-CZ 4.1Å; K182-F184 WeakPolarHBondContact O-CE2 3.37Å
183A80.3Confident81Confident23 Ų2368.4 Ų68.419%0.1935%0.348CS..EExtended strand (participates in β ladder)trans-92.7154.8178.400000111.4R173 Y175 K176 N181R173-A183 HydrophobicContact CB-CB 3.52Å; R173-A183 HydrophobicContact CG-CB 4.47Å; R173-A183 VanDerWaalsContact NE-C 3.32Å; R173-A183 PolarHBondContact NE-O 3.33Å; R173-A183 PolarHBondContact NH2-O 3.36Å; Y175-A183 CarbonylContact O-C 3.44Å; Y175-A183 VanDerWaalsContact O-CA 3.31Å; Y175-A183 WeakPolarHBondContact O-CA 3.14Å; K176-A183 HydrophobicContact CG-CB 3.96Å; N181-A183 PolarHBondContact O-N 3.22Å
184F80.7Confident81.4Confident30 Ų3062.9 Ų62.913%0.13233%0.328CS..EExtended strand (participates in β ladder)trans-139.6151.2179.2-59.7-88.4000110.7R173 P174 Y175 C177 K182 L190 H193R173-F184 CarbonylContact C-O 3.57Å; R173-F184 WeakPolarHBondContact CA-O 3.46Å; P174-F184 WeakPolarHBondContact CD-O 3.36Å; Y175-F184 WeakPolarHBondContact CD2-O 3.29Å; Y175-F184 PolarHBondContact N-O 3.29Å; Y175-F184 VanDerWaalsContact N-O 3.1Å; Y175-F184 PolarHBondContact O-N 3.31Å; C177-F184 HydrophobicContact CB-CE2 4.36Å; K182-F184 HydrophobicContact CB-CE2 3.99Å; K182-F184 HydrophobicContact CB-CZ 4.1Å; K182-F184 WeakPolarHBondContact O-CE2 3.37Å; F184-L190 HydrophobicContact CB-CB 4.37Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.75Å; F184-L190 HydrophobicContact CD2-CG 4.4Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.24Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 3.99Å; F184-H193 AromaticContact CE2-CD2 3.55Å; F184-H193 AromaticContact CE2-CG 3.72Å; F184-H193 HydrophobicContact CZ-CB 3.44Å; F184-H193 VanDerWaalsContact CZ-CB 3.44Å; F184-H193 AromaticContact CZ-CD2 3.58Å; F184-H193 AromaticContact CZ-CG 3.25Å; F184-H193 AromaticContact CZ-ND1 3.68Å
185T77.1Confident82.1Confident41 Ų4167.4 Ų67.425%0.25234%0.344SS..SBendtrans-79.9-19.8178.354.80000113.1R167 R173 Y175R167-T185 PolarHBondContact NH1-O 3.15Å; R173-T185 HydrophobicContact CG-CG2 3.72Å; Y175-T185 VanDerWaalsContact CE2-O 3.3Å; Y175-T185 WeakPolarHBondContact CE2-O 3.35Å
186Q79.2Confident82.7Confident47 Ų4774.5 Ų74.522%0.2238%0.375CS..SBendtrans-134.9148.2-176.9-54.5-174.836.400112.1Y175 S189 L190Y175-Q186 VanDerWaalsContact CD2-CA 3.45Å; Y175-Q186 VanDerWaalsContact CE2-C 3.44Å; Q186-S189 WeakPolarHBondContact O-CB 3.39Å; Q186-S189 PolarHBondContact O-N 2.74Å; Q186-L190 PolarHBondContact O-N 3.33Å
187R80.6Confident83.1Confident146 Ų14673.3 Ų73.355%0.55137%0.374SS*.Hα-helixtrans-62.9-45.5178-179.8-175.6172.6114.41.9112.3Y175 S189 L190 E191Y175-R187 HydrophobicContact CD1-CB 4.2Å; Y175-R187 HydrophobicContact CE1-CB 3.96Å; Y175-R187 VanDerWaalsContact CE2-N 3.35Å; R187-S189 PolarHBondContact O-N 3.15Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.29Å; R187-L190 VanDerWaalsContact O-N 3.1Å; R187-E191 PolarHBondContact O-N 2.82Å
188C81.3Confident83.2Confident52 Ų5275.7 Ų75.735%0.35139%0.385SS..Hα-helixtrans-61.3-32.7-179.754.20000112.4E191 S192C188-E191 PolarHBondContact O-N 3.1Å; C188-S192 WeakPolarHBondContact O-CB 3.37Å; C188-S192 PolarHBondContact O-N 3.38Å; C188-S192 PolarHBondContact O-OG 3.14Å
189S85.3Confident83.4Confident39 Ų3973 Ų7327%0.27339%0.386SS..Hα-helixtrans-66.8-43.1174-53.50000111.7Q186 R187 H193Q186-S189 WeakPolarHBondContact O-CB 3.39Å; Q186-S189 PolarHBondContact O-N 2.74Å; R187-S189 PolarHBondContact O-N 3.15Å; S189-H193 VanDerWaalsContact O-CB 3.3Å; S189-H193 WeakPolarHBondContact O-CB 3.32Å; S189-H193 PolarHBondContact O-N 3.43Å
190L85.8Confident83.1Confident25 Ų2571.7 Ų71.713%0.13138%0.378CS..Hα-helixtrans-62.6-45.3173.8171.763.5000111.3C177 F184 Q186 R187 S192 H193 L194C177-L190 HydrophobicContact CB-CD1 3.73Å; F184-L190 HydrophobicContact CB-CB 4.37Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.75Å; F184-L190 HydrophobicContact CD2-CG 4.4Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.24Å; Q186-L190 PolarHBondContact O-N 3.33Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.29Å; R187-L190 VanDerWaalsContact O-N 3.1Å; L190-S192 PolarHBondContact O-N 2.56Å; L190-H193 WeakPolarHBondContact O-CB 3.35Å; L190-H193 PolarHBondContact O-N 2.76Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CG 3.99Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 2.93Å
191E84.6Confident82.1Confident103 Ų10374.6 Ų74.648%0.48139%0.387SS..Hα-helixtrans-62.4-44.1180-173.5174.6175.800112R187 C188 H193 L194 K195R187-E191 PolarHBondContact O-N 2.82Å; C188-E191 PolarHBondContact O-N 3.1Å; E191-H193 VanDerWaalsContact C-N 3.31Å; E191-H193 PolarHBondContact O-N 3.35Å; E191-L194 PolarHBondContact O-N 3.11Å; E191-K195 WeakPolarHBondContact O-CB 3.32Å; E191-K195 PolarHBondContact O-N 2.89Å
192S87Confident81.1Confident61 Ų6173.8 Ų73.843%0.42738%0.379SS..Hα-helixtrans-62.1-40.5173.6-610000111.7C188 L190 K196C188-S192 WeakPolarHBondContact O-CB 3.37Å; C188-S192 PolarHBondContact O-N 3.38Å; C188-S192 PolarHBondContact O-OG 3.14Å; L190-S192 PolarHBondContact O-N 2.56Å; S192-K196 VanDerWaalsContact O-CB 3.28Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.25Å; S192-K196 PolarHBondContact O-N 3.48Å
193H88.1Confident79.9Confident23 Ų2374.1 Ų74.111%0.10638%0.382CS..Hα-helixtrans-63.5-47.4175.7163.375.5000112C177 C180 F184 S189 L190 E191 K195 K196 I197 H198C177-H193 PolarHBondContact SG-NE2 2.61Å; C177-H193 VanDerWaalsContact SG-NE2 3.37Å; C180-H193 VanDerWaalsContact SG-CE1 3.52Å; C180-H193 PolarHBondContact SG-NE2 3.09Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 3.99Å; F184-H193 AromaticContact CE2-CD2 3.55Å; F184-H193 AromaticContact CE2-CG 3.72Å; F184-H193 HydrophobicContact CZ-CB 3.44Å; F184-H193 VanDerWaalsContact CZ-CB 3.44Å; F184-H193 AromaticContact CZ-CD2 3.58Å; F184-H193 AromaticContact CZ-CG 3.25Å; F184-H193 AromaticContact CZ-ND1 3.68Å; S189-H193 VanDerWaalsContact O-CB 3.3Å; S189-H193 WeakPolarHBondContact O-CB 3.32Å; S189-H193 PolarHBondContact O-N 3.43Å; L190-H193 WeakPolarHBondContact O-CB 3.35Å; L190-H193 PolarHBondContact O-N 2.76Å; E191-H193 VanDerWaalsContact C-N 3.31Å; E191-H193 PolarHBondContact O-N 3.35Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.2Å; H193-K196 PolarHBondContact O-N 2.81Å; H193-I197 WeakPolarHBondContact ND1-CG1 3.23Å; H193-I197 VanDerWaalsContact O-CB 3.28Å; H193-I197 WeakPolarHBondContact O-CB 3.32Å; H193-I197 WeakPolarHBondContact O-CG1 3.34Å; H193-I197 PolarHBondContact O-N 2.91Å; H193-H198 AromaticContact CE1-NE2 3.65Å; H193-H198 AromaticContact NE2-CD2 3.54Å; H193-H198 AromaticContact NE2-NE2 3.25Å; H193-H198 PolarHBondContact NE2-NE2 3.38Å
194L85.2Confident78.2Confident10 Ų1083.2 Ų83.25%0.05241%0.413CS..Iπ-helixtrans-59.8-44.5177.7-72.9169.1000111.2C177 V179 L190 E191 H198 G199 V200 Q202C177-L194 VanDerWaalsContact SG-CD2 3.58Å; V179-L194 HydrophobicContact CG2-CD2 4.42Å; L190-L194 HydrophobicContact CD1-CD1 4.03Å; L190-L194 HydrophobicContact CD1-CG 3.99Å; L190-L194 HydrophobicContact CG-CD1 3.95Å; L190-L194 HydrophobicContact CG-CG 4.35Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 2.93Å; E191-L194 PolarHBondContact O-N 3.11Å; L194-H198 CarbonylContact O-C 3.18Å; L194-H198 WeakPolarHBondContact O-CA 3.4Å; L194-H198 WeakPolarHBondContact O-CB 3.43Å; L194-H198 PolarHBondContact O-N 2.99Å; L194-G199 PolarHBondContact O-N 3.5Å; L194-V200 CarbonylContact C-O 3.6Å; L194-V200 PolarHBondContact O-N 2.9Å; L194-Q202 HydrophobicContact CD1-CB 4.27Å
195K87.5Confident76.3Confident135 Ų13586.1 Ų86.159%0.58744%0.443SS*.Iπ-helixtrans-63.9-46.7177.8-171.7176.6-174.2174.50112.2E191 H193 G199E191-K195 WeakPolarHBondContact O-CB 3.32Å; E191-K195 PolarHBondContact O-N 2.89Å; H193-K195 VanDerWaalsContact C-N 3.32Å; H193-K195 PolarHBondContact O-N 3.2Å; K195-G199 WeakPolarHBondContact O-CA 3.38Å; K195-G199 PolarHBondContact O-N 3.19Å
196K88.8Confident75.1Confident174 Ų17489.3 Ų89.376%0.75745%0.451SS*.Iπ-helixtrans-78.1-37.4-173.7-71.4-179178.9-172.10113.7S192 H193S192-K196 VanDerWaalsContact O-CB 3.28Å; S192-K196 WeakPolarHBondContact O-CB 3.48Å; S192-K196 VanDerWaalsContact O-CG 3.25Å; S192-K196 WeakPolarHBondContact O-CG 3.25Å; S192-K196 PolarHBondContact O-N 3.48Å; H193-K196 PolarHBondContact O-N 2.81Å
197I88.7Confident73.6Confident112 Ų11296.3 Ų96.357%0.57448%0.481SS*.Iπ-helixtrans-100.5-36.5-170.9-54.2-56.4000111.8H193H193-I197 WeakPolarHBondContact ND1-CG1 3.23Å; H193-I197 VanDerWaalsContact O-CB 3.28Å; H193-I197 WeakPolarHBondContact O-CB 3.32Å; H193-I197 WeakPolarHBondContact O-CG1 3.34Å; H193-I197 PolarHBondContact O-N 2.91Å
198H84.1Confident72.2Confident51 Ų5197 Ų9724%0.23649%0.49CS..Iπ-helixtrans-109.6-10.4-174.3-60.4-61000113.2V179 C180 H193 L194 V200V179-H198 VanDerWaalsContact CG1-CE1 3.5Å; V179-H198 WeakPolarHBondContact CG1-CE1 3.4Å; V179-H198 WeakPolarHBondContact CG1-ND1 3.46Å; C180-H198 PolarHBondContact SG-NE2 3.17Å; H193-H198 AromaticContact CE1-NE2 3.65Å; H193-H198 AromaticContact NE2-CD2 3.54Å; H193-H198 AromaticContact NE2-NE2 3.25Å; H193-H198 PolarHBondContact NE2-NE2 3.38Å; L194-H198 CarbonylContact O-C 3.18Å; L194-H198 WeakPolarHBondContact O-CA 3.4Å; L194-H198 WeakPolarHBondContact O-CB 3.43Å; L194-H198 PolarHBondContact O-N 2.99Å; H198-V200 HydrophobicContact CB-CB 4.43Å; H198-V200 HydrophobicContact CB-CG2 3.95Å; H198-V200 WeakPolarHBondContact O-CG2 3.38Å; H198-V200 PolarHBondContact O-N 3.42Å; H198-V200 VanDerWaalsContact O-N 3.1Å
199G82.6Confident70.4Confident65 Ų65104.8 Ų104.867%0.6751%0.512SS*.  trans64.68.8-173.900000113.8L194 K195L194-G199 PolarHBondContact O-N 3.5Å; K195-G199 WeakPolarHBondContact O-CA 3.38Å; K195-G199 PolarHBondContact O-N 3.19Å
200V73.3Confident68.8Low60 Ų60112.2 Ų112.236%0.36453%0.534SS..  trans-91.3127.3-175.7-175.90000109.9L194 H198L194-V200 CarbonylContact C-O 3.6Å; L194-V200 PolarHBondContact O-N 2.9Å; H198-V200 HydrophobicContact CB-CB 4.43Å; H198-V200 HydrophobicContact CB-CG2 3.95Å; H198-V200 WeakPolarHBondContact O-CG2 3.38Å; H198-V200 PolarHBondContact O-N 3.42Å; H198-V200 VanDerWaalsContact O-N 3.1Å
201Q64.2Low67.5Low109 Ų109113.2 Ų113.251%0.50954%0.54SS..  trans-95.694.3164.3-70.2-73.8-69.400107.5Q203Q201-Q203 PolarHBondContact O-N 2.99Å
202Q58.8Low66.5Low111 Ų111113 Ų11352%0.51954%0.537SS..  trans-77.1114.3179.2-144.5-16384.500109.9L194L194-Q202 HydrophobicContact CD1-CB 4.27Å
203Q54.8Low65.6Low139 Ų139111.3 Ų111.365%0.6552%0.523SS*.  trans-100.1155.4164.3-59.6-157.35.200109.5Q201Q201-Q203 PolarHBondContact O-N 2.99Å
204Y44.2Very low64.6Low214 Ų214112.6 Ų112.684%0.83953%0.528SS*.SBendtrans73122.6174.538.5-87.7000122.1
205A41.6Very low63.7Low91 Ų91116 Ų11675%0.75255%0.548SS*.  trans62.560.9151.400000119.8K207A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.1Å
206Y51.1Low62.9Low109 Ų109109.7 Ų109.743%0.42752%0.521SS..  trans-65.898151.4-179.7-99000108.8Q208Y206-Q208 PolarHBondContact O-N 2.68Å
207K47.7Very low61.9Low194 Ų194109.1 Ų109.184%0.84352%0.521SS*.  trans-59.8106.9169.1-81179.6179.6173.30107.6A205 R209A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.1Å; K207-R209 PolarHBondContact O-N 2.72Å
208Q51.2Low60.8Low160 Ų160107.8 Ų107.875%0.74852%0.516SS*.  trans-49105175.1-62.9179.52400110Y206 R210Y206-Q208 PolarHBondContact O-N 2.68Å; Q208-R210 PolarHBondContact O-N 2.77Å
209R43.6Very low60.1Low216 Ų216108.5 Ų108.582%0.81553%0.526SS*.  trans-7591.8131.3-68.1-152-175-167.64.8103.8K207 D211K207-R209 PolarHBondContact O-N 2.72Å; R209-D211 PolarHBondContact O-N 2.88Å
210R52.3Low59.3Low195 Ų195106.2 Ų106.274%0.73650%0.502SS*.  trans-34.6127.6170.3-176.8174.8174.8168.9-1.9106.3Q208 K212Q208-R210 PolarHBondContact O-N 2.77Å; R210-K212 HydrophobicContact CG-CB 4.45Å; R210-K212 WeakPolarHBondContact O-CA 3.41Å; R210-K212 VanDerWaalsContact O-CB 3.32Å; R210-K212 WeakPolarHBondContact O-CB 3.31Å; R210-K212 PolarHBondContact O-N 3.17Å
211D58.7Low59.1Low45 Ų45107.5 Ų107.524%0.24150%0.501CS..  trans-57.664.6175.1-68.6-43.1000110.2R167 Y175 R209 L213R167-D211 IonicContact CZ-OD1 2.87Å; R167-D211 IonicContact CZ-OD2 2.72Å; R167-D211 IonicContact NH2-OD1 3.62Å; R167-D211 PolarHBondContact NH2-OD1 3.33Å; R167-D211 IonicContact NH2-OD2 3.9Å; R167-D211 PolarHBondContact NH2-OD2 2.85Å; Y175-D211 PolarHBondContact OH-OD2 3.3Å; R209-D211 PolarHBondContact O-N 2.88Å; D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 2.91Å
212K63.3Low59.1Low99 Ų99103 Ų10343%0.4348%0.481SS..  trans-9979.4-170-169.3174.7176.4-157.80104R210 Y214R210-K212 HydrophobicContact CG-CB 4.45Å; R210-K212 WeakPolarHBondContact O-CA 3.41Å; R210-K212 VanDerWaalsContact O-CB 3.32Å; R210-K212 WeakPolarHBondContact O-CB 3.31Å; R210-K212 PolarHBondContact O-N 3.17Å; K212-Y214 HydrophobicContact CB-CE2 4.26Å; K212-Y214 HydrophobicContact CD-CE1 4.19Å; K212-Y214 HydrophobicContact CD-CE2 4.04Å; K212-Y214 WeakPolarHBondContact CD-OH 3.5Å; K212-Y214 WeakPolarHBondContact CE-OH 3.06Å; K212-Y214 HydrophobicContact CG-CD2 4.37Å; K212-Y214 HydrophobicContact CG-CE1 4.45Å; K212-Y214 HydrophobicContact CG-CE2 3.86Å; K212-Y214 PolarHBondContact NZ-OH 3.33Å; K212-Y214 WeakPolarHBondContact O-CD2 3.34Å; K212-Y214 WeakPolarHBondContact O-CE2 3.38Å; K212-Y214 PolarHBondContact O-N 2.77Å
213L67.9Low59.3Low25 Ų2597.8 Ų97.813%0.13146%0.456CS..PPolyproline II helixtrans-66.3125.2162.3-59177.1000106.7K163 D211 G223K163-L213 HydrophobicContact CB-CD1 3.99Å; K163-L213 HydrophobicContact CG-CD1 4.07Å; D211-L213 VanDerWaalsContact C-N 3.33Å; D211-L213 PolarHBondContact O-N 2.91Å; L213-G223 CarbonylContact C-O 3.42Å; L213-G223 WeakPolarHBondContact CA-O 3.25Å
214Y66.4Low59.4Low51 Ų5194 Ų9420%0.244%0.444CS..EExtended strand (participates in β ladder)trans-93119.6177.2-74.1-92.7000107.5K212 T222 G223 Q226 L229K212-Y214 HydrophobicContact CB-CE2 4.26Å; K212-Y214 HydrophobicContact CD-CE1 4.19Å; K212-Y214 HydrophobicContact CD-CE2 4.04Å; K212-Y214 WeakPolarHBondContact CD-OH 3.5Å; K212-Y214 WeakPolarHBondContact CE-OH 3.06Å; K212-Y214 HydrophobicContact CG-CD2 4.37Å; K212-Y214 HydrophobicContact CG-CE1 4.45Å; K212-Y214 HydrophobicContact CG-CE2 3.86Å; K212-Y214 PolarHBondContact NZ-OH 3.33Å; K212-Y214 WeakPolarHBondContact O-CD2 3.34Å; K212-Y214 WeakPolarHBondContact O-CE2 3.38Å; K212-Y214 PolarHBondContact O-N 2.77Å; Y214-T222 CarbonylContact O-C 2.94Å; Y214-T222 VanDerWaalsContact O-CA 3.3Å; Y214-T222 WeakPolarHBondContact O-CA 3.3Å; Y214-G223 PolarHBondContact N-O 3.38Å; Y214-G223 PolarHBondContact O-N 3.37Å; Y214-Q226 HydrophobicContact CD1-CB 4.14Å; Y214-Q226 HydrophobicContact CD1-CG 4.23Å; Y214-Q226 HydrophobicContact CD2-CB 4.49Å; Y214-Q226 HydrophobicContact CE1-CB 3.79Å; Y214-Q226 HydrophobicContact CE1-CG 3.96Å; Y214-Q226 HydrophobicContact CE2-CB 4.17Å; Y214-Q226 HydrophobicContact CG-CB 4.47Å; Y214-L229 HydrophobicContact CD1-CD2 4.48Å
215V67Low60.4Low80 Ų8086.2 Ų86.249%0.48542%0.419SS..EExtended strand (participates in β ladder)trans-101.1134-176.4-171.80000108.7Y221 T222V215-Y221 CarbonylContact C-O 3.52Å; V215-Y221 VanDerWaalsContact CA-O 3.3Å; V215-Y221 WeakPolarHBondContact CA-O 3.34Å; V215-T222 HydrophobicContact CB-CG2 4.42Å; V215-T222 HydrophobicContact CG1-CG2 4.18Å; V215-T222 HydrophobicContact CG2-CG2 3.89Å
216C70.3Confident61.6Low3 Ų385 Ų852%0.0240%0.397CS..PPolyproline II helixtrans-73.9125.2170.3-1760000109.1D218 C219 G220 Y221 L229C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.27Å; C216-C219 VanDerWaalsContact SG-SG 3.61Å; C216-G220 WeakPolarHBondContact O-CA 3.3Å; C216-G220 PolarHBondContact O-N 3.25Å; C216-Y221 PolarHBondContact N-O 2.93Å; C216-L229 VanDerWaalsContact CA-CD1 3.48Å; C216-L229 HydrophobicContact CB-CD1 3.51Å
217E67.6Low62.3Low162 Ų16281.9 Ų81.976%0.75739%0.387SS*.THydrogen-bonded Turntrans-73-22.6179.3-65.5177.6172.100112
218D66.6Low63.3Low85 Ų8575 Ų7546%0.45536%0.36SS..THydrogen-bonded Turntrans-86.2-30.6-175.6-58.8-48.1000113.1C216 S240C216-D218 VanDerWaalsContact C-N 3.26Å; C216-D218 PolarHBondContact O-N 3.27Å; D218-S240 WeakPolarHBondContact OD2-CB 3.39Å; D218-S240 PolarHBondContact OD2-OG 3.3Å
219C69.5Low64.5Low66 Ų6667.6 Ų67.645%0.44633%0.325SS..THydrogen-bonded Turntrans-139-1.8-176.572.40000115.2C216 Y221 H232 H237C216-C219 VanDerWaalsContact SG-SG 3.61Å; C219-Y221 VanDerWaalsContact C-N 3.27Å; C219-Y221 PolarHBondContact O-N 3.37Å; C219-Y221 VanDerWaalsContact SG-CB 3.51Å; C219-Y221 PolarHBondContact SG-N 2.87Å; C219-Y221 VanDerWaalsContact SG-N 3.45Å; C219-H232 VanDerWaalsContact SG-CE1 3.51Å; C219-H232 PolarHBondContact SG-NE2 3.25Å; C219-H237 WeakPolarHBondContact CB-NE2 3.46Å; C219-H237 PolarHBondContact SG-NE2 2.92Å; C219-H237 VanDerWaalsContact SG-NE2 3.38Å
220G66.4Low65.9Low17 Ų1759.1 Ų59.118%0.17529%0.293CS..  trans75.87.6-179.100000115.3C216 T222C216-G220 WeakPolarHBondContact O-CA 3.3Å; C216-G220 PolarHBondContact O-N 3.25Å; G220-T222 PolarHBondContact O-N 3.47Å
221Y68.9Low67Low87 Ų8754.7 Ų54.734%0.34128%0.284SS..  trans-55.5133.8173.2171.9-95.3000111.5V215 C216 C219 L229 H232V215-Y221 CarbonylContact C-O 3.52Å; V215-Y221 VanDerWaalsContact CA-O 3.3Å; V215-Y221 WeakPolarHBondContact CA-O 3.34Å; C216-Y221 PolarHBondContact N-O 2.93Å; C219-Y221 VanDerWaalsContact C-N 3.27Å; C219-Y221 PolarHBondContact O-N 3.37Å; C219-Y221 VanDerWaalsContact SG-CB 3.51Å; C219-Y221 PolarHBondContact SG-N 2.87Å; C219-Y221 VanDerWaalsContact SG-N 3.45Å; Y221-L229 HydrophobicContact CD1-CD1 4.25Å; Y221-H232 WeakPolarHBondContact CB-NE2 3.42Å; Y221-H232 HydrophobicContact CD1-CB 3.62Å; Y221-H232 AromaticContact CD1-CD2 3.51Å; Y221-H232 AromaticContact CD1-CG 3.3Å; Y221-H232 AromaticContact CD1-ND1 3.82Å; Y221-H232 AromaticContact CD2-ND1 3.76Å; Y221-H232 HydrophobicContact CE1-CB 3.53Å; Y221-H232 AromaticContact CE1-CG 3.73Å; Y221-H232 HydrophobicContact CG-CB 4.26Å; Y221-H232 AromaticContact CG-CD2 3.68Å; Y221-H232 AromaticContact CG-CE1 3.71Å; Y221-H232 AromaticContact CG-CG 3.52Å; Y221-H232 AromaticContact CG-ND1 3.54Å; Y221-H232 AromaticContact CG-NE2 3.8Å
222T62.5Low68Low15 Ų1554.1 Ų54.19%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-115113.5-179.765.40000112V166 Y214 V215 G220V166-T222 WeakPolarHBondContact CG1-OG1 3.4Å; Y214-T222 CarbonylContact O-C 2.94Å; Y214-T222 VanDerWaalsContact O-CA 3.3Å; Y214-T222 WeakPolarHBondContact O-CA 3.3Å; V215-T222 HydrophobicContact CB-CG2 4.42Å; V215-T222 HydrophobicContact CG1-CG2 4.18Å; V215-T222 HydrophobicContact CG2-CG2 3.89Å; G220-T222 PolarHBondContact O-N 3.47Å
223G63.2Low68.4Low0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-100.9148176.200000113.1L213 Y214 T225L213-G223 CarbonylContact C-O 3.42Å; L213-G223 WeakPolarHBondContact CA-O 3.25Å; Y214-G223 PolarHBondContact N-O 3.38Å; Y214-G223 PolarHBondContact O-N 3.37Å; G223-T225 VanDerWaalsContact C-N 3.3Å
224P56.6Low68.8Low61 Ų6152 Ų5240%0.39627%0.273SS..SBendtrans-71.9-21.7175.221-23.5000113.7I172 D228I172-P224 HydrophobicContact CD1-CB 4.02Å; I172-P224 HydrophobicContact CD1-CG 3.95Å; P224-D228 VanDerWaalsContact CD-OD2 3.23Å; P224-D228 WeakPolarHBondContact CD-OD2 3.45Å; P224-D228 VanDerWaalsContact CG-OD2 3.24Å; P224-D228 WeakPolarHBondContact CG-OD2 3.5Å
225T65.6Low69.2Low49 Ų4954.1 Ų54.130%0.30130%0.295SS..SBendtrans-129.4165.9177.3730000112.4G223 E227 D228 L229G223-T225 VanDerWaalsContact C-N 3.3Å; T225-E227 PolarHBondContact OG1-N 2.97Å; T225-D228 WeakPolarHBondContact CB-OD2 3.38Å; T225-D228 PolarHBondContact N-OD2 2.72Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 PolarHBondContact OG1-N 3.17Å; T225-D228 VanDerWaalsContact OG1-N 3.11Å; T225-D228 PolarHBondContact OG1-OD2 3.32Å; T225-L229 PolarHBondContact O-N 3.39Å
226Q67.8Low69.6Low65 Ų6552.7 Ų52.730%0.30429%0.291SS..Hα-helixtrans-69.1-27.5173.5-165.2171-49.700111.4Y214 Y230 L250Y214-Q226 HydrophobicContact CD1-CB 4.14Å; Y214-Q226 HydrophobicContact CD1-CG 4.23Å; Y214-Q226 HydrophobicContact CD2-CB 4.49Å; Y214-Q226 HydrophobicContact CE1-CB 3.79Å; Y214-Q226 HydrophobicContact CE1-CG 3.96Å; Y214-Q226 HydrophobicContact CE2-CB 4.17Å; Y214-Q226 HydrophobicContact CG-CB 4.47Å; Q226-Y230 WeakPolarHBondContact O-CB 3.39Å; Q226-Y230 PolarHBondContact O-N 2.95Å; Q226-L250 HydrophobicContact CB-CD1 4.21Å; Q226-L250 HydrophobicContact CG-CD1 4.08Å; Q226-L250 HydrophobicContact CG-CD2 4.2Å
227E65.5Low70Confident44 Ų4454.9 Ų54.921%0.20630%0.301CS..Hα-helixtrans-64.8-44.7171.5-93.9114.5152.100112.1T225 L229 Y230 L231 L250 L254 K257T225-E227 PolarHBondContact OG1-N 2.97Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.98Å; E227-Y230 WeakPolarHBondContact O-CB 3.1Å; E227-Y230 PolarHBondContact O-N 2.82Å; E227-Y230 VanDerWaalsContact O-N 3.15Å; E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.49Å; E227-L250 HydrophobicContact CG-CD2 4.22Å; E227-L254 HydrophobicContact CG-CD1 4.39Å; E227-L254 HydrophobicContact CG-CD2 3.86Å; E227-L254 HydrophobicContact CG-CG 4.29Å; E227-K257 IonicContact OE1-NZ 3.97Å; E227-K257 PolarHBondContact OE1-NZ 2.95Å
228D69.3Low70Confident51 Ų5152.1 Ų52.127%0.27330%0.298SS..Hα-helixtrans-64.4-41.1179.4-55-49.3000111.4P224 T225 Y230 H232P224-D228 VanDerWaalsContact CD-OD2 3.23Å; P224-D228 WeakPolarHBondContact CD-OD2 3.45Å; P224-D228 VanDerWaalsContact CG-OD2 3.24Å; P224-D228 WeakPolarHBondContact CG-OD2 3.5Å; T225-D228 WeakPolarHBondContact CB-OD2 3.38Å; T225-D228 PolarHBondContact N-OD2 2.72Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 PolarHBondContact OG1-N 3.17Å; T225-D228 VanDerWaalsContact OG1-N 3.11Å; T225-D228 PolarHBondContact OG1-OD2 3.32Å; D228-Y230 VanDerWaalsContact C-N 3.33Å; D228-H232 VanDerWaalsContact O-CB 3.3Å; D228-H232 WeakPolarHBondContact O-CB 3.34Å; D228-H232 PolarHBondContact O-N 3.18Å
229L76.3Confident69.9Low3 Ų351.2 Ų51.22%0.01631%0.308CS..Hα-helixtrans-64.1-40.2174.4179.761000111.3Y214 C216 Y221 T225 E227 H232 V233 F242Y214-L229 HydrophobicContact CD1-CD2 4.48Å; C216-L229 VanDerWaalsContact CA-CD1 3.48Å; C216-L229 HydrophobicContact CB-CD1 3.51Å; Y221-L229 HydrophobicContact CD1-CD1 4.25Å; T225-L229 PolarHBondContact O-N 3.39Å; E227-L229 VanDerWaalsContact C-N 3.33Å; E227-L229 PolarHBondContact O-N 2.98Å; L229-H232 PolarHBondContact O-N 3.45Å; L229-V233 HydrophobicContact CD1-CG2 3.99Å; L229-V233 HydrophobicContact CG-CG2 4.34Å; L229-V233 WeakPolarHBondContact O-CB 3.25Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.28Å; L229-V233 PolarHBondContact O-N 3.07Å; L229-F242 HydrophobicContact CD2-CE1 3.96Å; L229-F242 HydrophobicContact CD2-CE2 4.09Å; L229-F242 HydrophobicContact CD2-CZ 3.41Å; L229-F242 VanDerWaalsContact CD2-CZ 3.41Å; L229-F242 HydrophobicContact CG-CE1 4.01Å; L229-F242 HydrophobicContact CG-CZ 3.99Å
230Y72.5Confident69.9Low39 Ų3948.6 Ų48.615%0.15329%0.29CS..Hα-helixtrans-65.2-46.4177.5178.9-93.5000112.4Q226 E227 D228 H232 V233 N234 L243 L250 L254Q226-Y230 WeakPolarHBondContact O-CB 3.39Å; Q226-Y230 PolarHBondContact O-N 2.95Å; E227-Y230 WeakPolarHBondContact O-CB 3.1Å; E227-Y230 PolarHBondContact O-N 2.82Å; E227-Y230 VanDerWaalsContact O-N 3.15Å; D228-Y230 VanDerWaalsContact C-N 3.33Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 3.37Å; Y230-V233 PolarHBondContact O-N 3.34Å; Y230-N234 VanDerWaalsContact O-CB 3.24Å; Y230-N234 WeakPolarHBondContact O-CB 3.5Å; Y230-N234 PolarHBondContact O-N 3.14Å; Y230-L243 HydrophobicContact CD2-CD2 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 3.57Å; Y230-L250 HydrophobicContact CG-CD2 4.13Å; Y230-L254 HydrophobicContact CD1-CD1 4.09Å; Y230-L254 HydrophobicContact CE1-CD1 4.2Å
231L74.5Confident69.6Low102 Ų10250.9 Ų50.953%0.53430%0.304SS..Hα-helixtrans-60.7-40.8176.4-74.8171000111.7E227 S235E227-L231 WeakPolarHBondContact O-CG 3.46Å; E227-L231 PolarHBondContact O-N 3.49Å; L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 3.35Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 2.89Å
232H79.7Confident69.1Low32 Ų3248.6 Ų48.615%0.14830%0.296CS..Hα-helixtrans-63.1-51.6174.4167.876.6000111.6C219 Y221 D228 L229 Y230 N234 S235 A236 H237C219-H232 VanDerWaalsContact SG-CE1 3.51Å; C219-H232 PolarHBondContact SG-NE2 3.25Å; Y221-H232 WeakPolarHBondContact CB-NE2 3.42Å; Y221-H232 HydrophobicContact CD1-CB 3.62Å; Y221-H232 AromaticContact CD1-CD2 3.51Å; Y221-H232 AromaticContact CD1-CG 3.3Å; Y221-H232 AromaticContact CD1-ND1 3.82Å; Y221-H232 AromaticContact CD2-ND1 3.76Å; Y221-H232 HydrophobicContact CE1-CB 3.53Å; Y221-H232 AromaticContact CE1-CG 3.73Å; Y221-H232 HydrophobicContact CG-CB 4.26Å; Y221-H232 AromaticContact CG-CD2 3.68Å; Y221-H232 AromaticContact CG-CE1 3.71Å; Y221-H232 AromaticContact CG-CG 3.52Å; Y221-H232 AromaticContact CG-ND1 3.54Å; Y221-H232 AromaticContact CG-NE2 3.8Å; D228-H232 VanDerWaalsContact O-CB 3.3Å; D228-H232 WeakPolarHBondContact O-CB 3.34Å; D228-H232 PolarHBondContact O-N 3.18Å; L229-H232 PolarHBondContact O-N 3.45Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 3.37Å; H232-N234 VanDerWaalsContact C-N 3.31Å; H232-N234 PolarHBondContact O-N 3.28Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-S235 PolarHBondContact O-OG 3.09Å; H232-A236 VanDerWaalsContact O-CB 3.31Å; H232-A236 WeakPolarHBondContact O-CB 3.39Å; H232-A236 PolarHBondContact O-N 2.61Å; H232-H237 AromaticContact NE2-CD2 3.83Å; H232-H237 AromaticContact NE2-NE2 3.67Å
233V73.4Confident69Low0 Ų049 Ų490%030%0.297CS..Hα-helixtrans-64.1-37.3-179.5177.40000111L229 Y230 S235 H237 F242 L243L229-V233 HydrophobicContact CD1-CG2 3.99Å; L229-V233 HydrophobicContact CG-CG2 4.34Å; L229-V233 WeakPolarHBondContact O-CB 3.25Å; L229-V233 VanDerWaalsContact O-CG2 3.22Å; L229-V233 WeakPolarHBondContact O-CG2 3.28Å; L229-V233 PolarHBondContact O-N 3.07Å; Y230-V233 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact C-N 3.34Å; V233-S235 PolarHBondContact O-N 3.49Å; V233-H237 HydrophobicContact CG1-CB 4.15Å; V233-H237 CarbonylContact O-C 3.59Å; V233-H237 WeakPolarHBondContact O-CA 3.42Å; V233-H237 WeakPolarHBondContact O-CB 3.28Å; V233-H237 PolarHBondContact O-N 2.93Å; V233-F242 HydrophobicContact CB-CD1 4.22Å; V233-F242 HydrophobicContact CG1-CB 4.25Å; V233-F242 HydrophobicContact CG1-CD1 4.07Å; V233-F242 HydrophobicContact CG2-CD1 3.91Å; V233-F242 HydrophobicContact CG2-CE1 4.29Å; V233-L243 HydrophobicContact CB-CD2 4.21Å; V233-L243 HydrophobicContact CG1-CD1 4.12Å; V233-L243 HydrophobicContact CG1-CD2 3.84Å; V233-L243 HydrophobicContact CG1-CG 3.65Å
234N76.3Confident68.9Low81 Ų8156.9 Ų56.943%0.43333%0.332SS..Hα-helixtrans-69.2-30.4179.4-166.658.6000113.3Y230 H232 L243Y230-N234 VanDerWaalsContact O-CB 3.24Å; Y230-N234 WeakPolarHBondContact O-CB 3.5Å; Y230-N234 PolarHBondContact O-N 3.14Å; H232-N234 VanDerWaalsContact C-N 3.31Å; H232-N234 PolarHBondContact O-N 3.28Å; N234-L243 HydrophobicContact CB-CD2 4.11Å
235S74.3Confident69Low94 Ų9462 Ų6266%0.65735%0.348SS*.Hα-helixtrans-90.8-41.7178.854.80000113.3L231 H232 V233L231-S235 WeakPolarHBondContact O-CB 3.41Å; L231-S235 PolarHBondContact O-N 3.35Å; L231-S235 VanDerWaalsContact O-N 3.11Å; L231-S235 PolarHBondContact O-OG 2.89Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-S235 PolarHBondContact O-OG 3.09Å; V233-S235 VanDerWaalsContact C-N 3.34Å; V233-S235 PolarHBondContact O-N 3.49Å
236A74.1Confident68.8Low50 Ų5060.9 Ų60.941%0.41334%0.34SS..Hα-helixtrans-91.3-24.5-176.800000113.7H232H232-A236 VanDerWaalsContact O-CB 3.31Å; H232-A236 WeakPolarHBondContact O-CB 3.39Å; H232-A236 PolarHBondContact O-N 2.61Å
237H80.2Confident68.5Low49 Ų4960 Ų6023%0.22734%0.342CS..  trans-138.560.1-175-51.6-57.5000112.5C219 H232 V233 G239 S240C219-H237 WeakPolarHBondContact CB-NE2 3.46Å; C219-H237 PolarHBondContact SG-NE2 2.92Å; C219-H237 VanDerWaalsContact SG-NE2 3.38Å; H232-H237 AromaticContact NE2-CD2 3.83Å; H232-H237 AromaticContact NE2-NE2 3.67Å; V233-H237 HydrophobicContact CG1-CB 4.15Å; V233-H237 CarbonylContact O-C 3.59Å; V233-H237 WeakPolarHBondContact O-CA 3.42Å; V233-H237 WeakPolarHBondContact O-CB 3.28Å; V233-H237 PolarHBondContact O-N 2.93Å; H237-G239 PolarHBondContact O-N 2.62Å; H237-S240 WeakPolarHBondContact O-CB 3.37Å; H237-S240 PolarHBondContact O-N 2.73Å
238P65.8Low68.2Low105 Ų10567 Ų6768%0.68237%0.372SS*.THydrogen-bonded Turntrans-61.4-5.5-171.423.8-34000115.6
239G65.1Low67.5Low65 Ų6573 Ų7367%0.6740%0.395SS*.THydrogen-bonded Turntrans-114.44.2175.600000115.7H237H237-G239 PolarHBondContact O-N 2.62Å
240S69.6Low66.9Low11 Ų1173.6 Ų73.68%0.07740%0.398CS..  trans-60.5141.3-174.7176.30000112.7D218 H237 F242 L243D218-S240 WeakPolarHBondContact OD2-CB 3.39Å; D218-S240 PolarHBondContact OD2-OG 3.3Å; H237-S240 WeakPolarHBondContact O-CB 3.37Å; H237-S240 PolarHBondContact O-N 2.73Å; S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 VanDerWaalsContact O-N 3.1Å; S240-F242 WeakPolarHBondContact OG-CB 3.45Å; S240-F242 PolarHBondContact OG-N 2.92Å; S240-L243 PolarHBondContact O-N 3.1Å
241S61.3Low66.4Low66 Ų6673 Ų7346%0.46240%0.402SS..Hα-helixtrans-60.7-18.9174.476.80000112.8K244 K245S241-K244 PolarHBondContact O-N 2.93Å; S241-K245 PolarHBondContact O-N 2.85Å
242F57.3Low65.7Low38 Ų3871 Ų7117%0.16740%0.399CS..Hα-helixtrans-63.4-44.9175.3-171.2-96.9000112.1L229 V233 S240 K244 K245 T246L229-F242 HydrophobicContact CD2-CE1 3.96Å; L229-F242 HydrophobicContact CD2-CE2 4.09Å; L229-F242 HydrophobicContact CD2-CZ 3.41Å; L229-F242 VanDerWaalsContact CD2-CZ 3.41Å; L229-F242 HydrophobicContact CG-CE1 4.01Å; L229-F242 HydrophobicContact CG-CZ 3.99Å; V233-F242 HydrophobicContact CB-CD1 4.22Å; V233-F242 HydrophobicContact CG1-CB 4.25Å; V233-F242 HydrophobicContact CG1-CD1 4.07Å; V233-F242 HydrophobicContact CG2-CD1 3.91Å; V233-F242 HydrophobicContact CG2-CE1 4.29Å; S240-F242 PolarHBondContact O-N 3.46Å; S240-F242 VanDerWaalsContact O-N 3.1Å; S240-F242 WeakPolarHBondContact OG-CB 3.45Å; S240-F242 PolarHBondContact OG-N 2.92Å; F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 PolarHBondContact O-N 3.49Å; F242-K245 PolarHBondContact O-N 2.95Å; F242-T246 HydrophobicContact CD1-CG2 3.93Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.53Å; F242-T246 HydrophobicContact CE2-CG2 4Å; F242-T246 HydrophobicContact CG-CG2 4.34Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 3.46Å; F242-T246 PolarHBondContact O-OG1 2.94Å
243L59.8Low64.6Low23 Ų2373.9 Ų73.912%0.1242%0.415CS..Hα-helixtrans-62.5-33.9178.6-64.3171.8000112Y230 V233 N234 S240 K245 S247Y230-L243 HydrophobicContact CD2-CD2 3.81Å; Y230-L243 HydrophobicContact CE2-CD2 3.57Å; V233-L243 HydrophobicContact CB-CD2 4.21Å; V233-L243 HydrophobicContact CG1-CD1 4.12Å; V233-L243 HydrophobicContact CG1-CD2 3.84Å; V233-L243 HydrophobicContact CG1-CG 3.65Å; N234-L243 HydrophobicContact CB-CD2 4.11Å; S240-L243 PolarHBondContact O-N 3.1Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.35Å; L243-S247 WeakPolarHBondContact O-CB 3.45Å
244K61.3Low63.9Low167 Ų16776 Ų7673%0.72643%0.427SS*.Hα-helixtrans-66.6-29.3176-60.5-180-176.3175.70112S241 F242S241-K244 PolarHBondContact O-N 2.93Å; F242-K244 VanDerWaalsContact C-N 3.25Å; F242-K244 PolarHBondContact O-N 3.49Å
245K58.8Low63.1Low169 Ų16978.6 Ų78.674%0.73544%0.436SS*.Hα-helixtrans-91.7-32-178.9-68.6173.8-176.6170.20113.6S241 F242 L243S241-K245 PolarHBondContact O-N 2.85Å; F242-K245 PolarHBondContact O-N 2.95Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 3.35Å
246T61.3Low62.2Low24 Ų2475.7 Ų75.715%0.14742%0.421CS..Hα-helixtrans-88.90.9-175.552.70000115.2F242F242-T246 HydrophobicContact CD1-CG2 3.93Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.53Å; F242-T246 HydrophobicContact CE2-CG2 4Å; F242-T246 HydrophobicContact CG-CG2 4.34Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 3.46Å; F242-T246 PolarHBondContact O-OG1 2.94Å
247S62.4Low61.3Low47 Ų4779 Ų7933%0.32943%0.426SS..Hα-helixtrans-74.8-41.7-158.360.10000116.5L243 A251L243-S247 WeakPolarHBondContact O-CB 3.45Å; S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.34Å
248K59.1Low59.8Low192 Ų19282.8 Ų82.884%0.83545%0.447SS*.Hα-helixtrans-74.3-45.2-166.3-72.5-177179.9178.40115.1A252K248-A252 WeakPolarHBondContact O-CB 3.31Å; K248-A252 PolarHBondContact O-N 3.44Å
249K54.8Low59.1Low177 Ų17782 Ų8277%0.7744%0.44SS*.Hα-helixtrans-83.5-37.4-172-164.9169.9-176.5173.30112.9L253K249-L253 WeakPolarHBondContact O-CD1 3.48Å; K249-L253 PolarHBondContact O-N 2.85Å
250L63.5Low58.5Low15 Ų1581.9 Ų81.98%0.07943%0.429CS..Hα-helixtrans-80.9-36.2-179.5-144.288.5000111.9Q226 E227 Y230 L253 L254Q226-L250 HydrophobicContact CB-CD1 4.21Å; Q226-L250 HydrophobicContact CG-CD1 4.08Å; Q226-L250 HydrophobicContact CG-CD2 4.2Å; E227-L250 HydrophobicContact CG-CD2 4.22Å; Y230-L250 HydrophobicContact CG-CD2 4.13Å; L250-L253 PolarHBondContact O-N 3.1Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.43Å; L250-L254 VanDerWaalsContact O-N 3.1Å
251A61.7Low57.5Low27 Ų2783.4 Ų83.422%0.22344%0.442CS..Hα-helixtrans-65.5-38.4174.800000111.9S247 L253 L254 Q255S247-A251 WeakPolarHBondContact O-CB 3.4Å; S247-A251 PolarHBondContact O-N 3.34Å; A251-L253 PolarHBondContact O-N 2.93Å; A251-L254 PolarHBondContact O-N 3.02Å; A251-Q255 WeakPolarHBondContact O-CG 3.27Å; A251-Q255 PolarHBondContact O-N 3.27Å
252A59.1Low56.9Low58 Ų5886.8 Ų86.848%0.47945%0.451SS..Hα-helixtrans-63.5-38.5174.600000112.8K248 L254 G256K248-A252 WeakPolarHBondContact O-CB 3.31Å; K248-A252 PolarHBondContact O-N 3.44Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.24Å; A252-G256 PolarHBondContact O-N 2.98Å
253L58.5Low56.6Low93 Ų9391.7 Ų91.749%0.48747%0.474SS..Hα-helixtrans-66.5-31.5175.1-95.6153.9000113.1K249 L250 A251 K257K249-L253 WeakPolarHBondContact O-CD1 3.48Å; K249-L253 PolarHBondContact O-N 2.85Å; L250-L253 PolarHBondContact O-N 3.1Å; A251-L253 PolarHBondContact O-N 2.93Å; L253-K257 WeakPolarHBondContact O-CG 3.16Å
254L58.6Low56.3Low46 Ų4696.9 Ų96.924%0.24150%0.498CS..Hα-helixtrans-80.2-38.9177.4-74.8170.6000112.3E227 Y230 L250 A251 A252 G256 K257 L258E227-L254 HydrophobicContact CG-CD1 4.39Å; E227-L254 HydrophobicContact CG-CD2 3.86Å; E227-L254 HydrophobicContact CG-CG 4.29Å; Y230-L254 HydrophobicContact CD1-CD1 4.09Å; Y230-L254 HydrophobicContact CE1-CD1 4.2Å; L250-L254 WeakPolarHBondContact O-CG 3.26Å; L250-L254 PolarHBondContact O-N 3.43Å; L250-L254 VanDerWaalsContact O-N 3.1Å; A251-L254 PolarHBondContact O-N 3.02Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-L254 PolarHBondContact O-N 3.24Å; L254-G256 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 3.34Å; L254-K257 PolarHBondContact O-N 2.79Å; L254-L258 PolarHBondContact O-N 3.01Å
255Q58.2Low55.7Low135 Ų13593.9 Ų93.963%0.63149%0.49SS*.Hα-helixtrans-62.8-39.7175.3-74.8177-2600111.9A251 K257 L258 T259A251-Q255 WeakPolarHBondContact O-CG 3.27Å; A251-Q255 PolarHBondContact O-N 3.27Å; Q255-K257 PolarHBondContact O-N 3.36Å; Q255-L258 PolarHBondContact O-N 2.85Å; Q255-T259 PolarHBondContact O-N 3.45Å; Q255-T259 PolarHBondContact O-OG1 3.1Å
256G56Low55.4Low33 Ų3388.9 Ų88.934%0.3447%0.474SS..Hα-helixtrans-66.9-29.417700000114.7A252 L254 T259 S260A252-G256 PolarHBondContact O-N 2.98Å; L254-G256 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 3.34Å; G256-T259 PolarHBondContact O-OG1 3.22Å; G256-S260 PolarHBondContact O-N 3.18Å; G256-S260 PolarHBondContact O-OG 2.87Å
257K54.9Low55Low118 Ų11890.7 Ų90.751%0.51349%0.487SS..Hα-helixtrans-74.6-34176.9-72.3173.1-176.2170.20112.4E227 L253 L254 Q255 A261E227-K257 IonicContact OE1-NZ 3.97Å; E227-K257 PolarHBondContact OE1-NZ 2.95Å; L253-K257 WeakPolarHBondContact O-CG 3.16Å; L254-K257 PolarHBondContact O-N 2.79Å; Q255-K257 PolarHBondContact O-N 3.36Å; K257-A261 WeakPolarHBondContact O-CB 3.47Å; K257-A261 PolarHBondContact O-N 3.44Å; K257-A261 VanDerWaalsContact O-N 3.13Å
258L48.3Very low54.5Low130 Ų13093.3 Ų93.368%0.68150%0.497SS*.Hα-helixtrans-68.9-37.3175.7-76.9162000111.7L254 Q255 H262L254-L258 PolarHBondContact O-N 3.01Å; Q255-L258 PolarHBondContact O-N 2.85Å; L258-H262 PolarHBondContact O-N 3.05Å; L258-H262 VanDerWaalsContact O-N 3.08Å
259T51.2Low54Low88 Ų8887.1 Ų87.154%0.5448%0.478SS..Hα-helixtrans-72.5-36.9178.653.30000113Q255 G256 H262 Q263Q255-T259 PolarHBondContact O-N 3.45Å; Q255-T259 PolarHBondContact O-OG1 3.1Å; G256-T259 PolarHBondContact O-OG1 3.22Å; T259-H262 PolarHBondContact O-N 2.92Å; T259-Q263 PolarHBondContact O-N 3.12Å; T259-Q263 VanDerWaalsContact O-N 3.09Å
260S53.6Low53.9Low62 Ų6284.2 Ų84.243%0.43447%0.467SS..Hα-helixtrans-68.5-40.2174-64.90000112.2G256 H262 Q263 E264G256-S260 PolarHBondContact O-N 3.18Å; G256-S260 PolarHBondContact O-OG 2.87Å; S260-H262 VanDerWaalsContact C-N 3.25Å; S260-H262 PolarHBondContact O-N 3.26Å; S260-Q263 PolarHBondContact O-N 3.07Å; S260-E264 PolarHBondContact O-N 3.1Å; S260-E264 VanDerWaalsContact O-N 3.08Å
261A47.2Very low53.5Low43 Ų4389.5 Ų89.536%0.35549%0.491SS..Hα-helixtrans-66.2-27.4174.800000112.8K257 N265K257-A261 WeakPolarHBondContact O-CB 3.47Å; K257-A261 PolarHBondContact O-N 3.44Å; K257-A261 VanDerWaalsContact O-N 3.13Å; A261-N265 PolarHBondContact O-N 3.23Å; A261-N265 PolarHBondContact O-ND2 3.12Å
262H49.5Very low53.1Low137 Ų13795.7 Ų95.763%0.63452%0.516SS*.Hα-helixtrans-76.1-39.8174.9-139.552000111.8L258 T259 S260 N265 T266L258-H262 PolarHBondContact O-N 3.05Å; L258-H262 VanDerWaalsContact O-N 3.08Å; T259-H262 PolarHBondContact O-N 2.92Å; S260-H262 VanDerWaalsContact C-N 3.25Å; S260-H262 PolarHBondContact O-N 3.26Å; H262-N265 PolarHBondContact O-N 2.9Å; H262-T266 WeakPolarHBondContact O-CG2 3.5Å; H262-T266 PolarHBondContact O-N 3.32Å; H262-T266 PolarHBondContact O-OG1 3.24Å; H262-T266 VanDerWaalsContact O-OG1 3.05Å
263Q51.7Low53Low142 Ų142101.3 Ų101.366%0.66453%0.532SS*.Hα-helixtrans-63.5-40.3175.2-91.6179.1-26.700113.3T259 S260 T266 S267T259-Q263 PolarHBondContact O-N 3.12Å; T259-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact O-N 3.07Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.39Å; Q263-T266 PolarHBondContact O-OG1 2.75Å; Q263-S267 PolarHBondContact O-N 3.46Å; Q263-S267 PolarHBondContact O-OG 2.81Å
264E51.9Low52.7Low132 Ų132106.2 Ų106.262%0.61754%0.544SS*.Hα-helixtrans-70.5-33.3178.3-70.8179.815300112.6S260 S267 L268S260-E264 PolarHBondContact O-N 3.1Å; S260-E264 VanDerWaalsContact O-N 3.08Å; E264-S267 WeakPolarHBondContact CA-OG 3.35Å; E264-S267 PolarHBondContact O-OG 3.34Å; E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 2.76Å
265N49.1Very low52.3Low104 Ų104115.6 Ų115.656%0.55658%0.582SS**Hα-helixtrans-74.5-34.8175.5-81.3-56.4000112.6A261 H262 S267 L268 S269A261-N265 PolarHBondContact O-N 3.23Å; A261-N265 PolarHBondContact O-ND2 3.12Å; H262-N265 PolarHBondContact O-N 2.9Å; N265-S267 VanDerWaalsContact C-N 3.34Å; N265-L268 PolarHBondContact O-N 3.25Å; N265-S269 PolarHBondContact O-N 3.19Å; N265-S269 PolarHBondContact O-OG 3.36Å
266T53.4Low52Low64 Ų64114.6 Ų114.639%0.39358%0.58SS.*Hα-helixtrans-67.6-33.4174.845.70000112.7H262 Q263 S269 E270H262-T266 WeakPolarHBondContact O-CG2 3.5Å; H262-T266 PolarHBondContact O-N 3.32Å; H262-T266 PolarHBondContact O-OG1 3.24Å; H262-T266 VanDerWaalsContact O-OG1 3.05Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.39Å; Q263-T266 PolarHBondContact O-OG1 2.75Å; T266-S269 PolarHBondContact O-OG 2.78Å; T266-E270 WeakPolarHBondContact O-CG 3.32Å; T266-E270 PolarHBondContact O-N 3.28Å
267S53.2Low51.7Low61 Ų61118.9 Ų118.943%0.42759%0.593SS.*Hα-helixtrans-71.4-30.3176.346.90000113.7Q263 E264 N265 E271Q263-S267 PolarHBondContact O-N 3.46Å; Q263-S267 PolarHBondContact O-OG 2.81Å; E264-S267 WeakPolarHBondContact CA-OG 3.35Å; E264-S267 PolarHBondContact O-OG 3.34Å; N265-S267 VanDerWaalsContact C-N 3.34Å; S267-E271 PolarHBondContact O-N 3.36Å
268L50.1Low51.6Low103 Ų103118.9 Ų118.954%0.53960%0.597SS.*Hα-helixtrans-76.2-36.1178.1-72.5168.8000112.1E264 N265 E271 E272E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 2.76Å; N265-L268 PolarHBondContact O-N 3.25Å; L268-E271 PolarHBondContact O-N 2.75Å; L268-E272 PolarHBondContact O-N 3.16Å
269S48.7Very low51.8Low61 Ų61118.3 Ų118.343%0.42759%0.592SS.*Hα-helixtrans-68-34.3175.154.30000113.1N265 T266 E271 E273N265-S269 PolarHBondContact O-N 3.19Å; N265-S269 PolarHBondContact O-OG 3.36Å; T266-S269 PolarHBondContact O-OG 2.78Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.26Å; S269-E273 PolarHBondContact O-N 2.84Å
270E54.3Low51.8Low116 Ų116120.2 Ų120.254%0.54260%0.595SS.*Hα-helixtrans-76.7-12.9178.5-70.7179.2166.300113.9T266 R274T266-E270 WeakPolarHBondContact O-CG 3.32Å; T266-E270 PolarHBondContact O-N 3.28Å; E270-R274 PolarHBondContact O-NE 3.06Å; E270-R274 PolarHBondContact O-NH2 2.91Å
271E54.7Low51.7Low127 Ų127124.1 Ų124.159%0.59361%0.606SS**Hα-helixtrans-94.8-28.4175.7-145.9-178.9154.300111.8S267 L268 S269S267-E271 PolarHBondContact O-N 3.36Å; L268-E271 PolarHBondContact O-N 2.75Å; S269-E271 VanDerWaalsContact C-N 3.29Å; S269-E271 PolarHBondContact O-N 3.26Å
272E54Low52Low157 Ų157129.9 Ų129.973%0.73462%0.624SS**Hα-helixtrans-74.3-30.3172-80.3-173.5131.800113.4L268 R274L268-E272 PolarHBondContact O-N 3.16Å; E272-R274 PolarHBondContact O-N 3.29Å
273E55Low52.2Low175 Ų175129.3 Ų129.382%0.81862%0.623SS**THydrogen-bonded Turntrans-76.2-0.4174.9-72.6-171.4146.500114.1S269S269-E273 PolarHBondContact O-N 2.84Å
274R53.5Low52.2Low197 Ų197128.3 Ų128.374%0.74362%0.62SS**THydrogen-bonded Turntrans-111.16.5-175.4-131.8-177.6-62.8-117.6-0.7114.5E270 E272E270-R274 PolarHBondContact O-NE 3.06Å; E270-R274 PolarHBondContact O-NH2 2.91Å; E272-R274 PolarHBondContact O-N 3.29Å
275K48.8Very low52.3Low242 Ų242127.9 Ų127.9100%1.05262%0.62SS**  trans-113.80173.7-76.4-1801801700110.6

Retrieved 275 of 275 residues in 305.6 ms (Link to these results)