A0A060VXB4_ONCMY Loading...

Zinc finger protein SNAI2

AlphaFold DB , UniProt , Accession A0A060VXB4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene SNAI2, Length 260 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.3Very low34.7Very low236 Ų236165.3 Ų165.3100%1.16381%0.814SS**  089.80-69.5-60.2-178.100110.1
2P42.3Very low34.1Very low115 Ų115165 Ų16575%0.74782%0.818SS**  trans-86.8-179.5163.939.9-33.5000109.2
3R30.7Very low33.7Very low212 Ų212159.8 Ų159.880%0.881%0.808SS**  cis-162.7152.727.3-150.9167.1-162.5157.71.9110.3
4S34Very low33.4Very low102 Ų102156.2 Ų156.271%0.71381%0.805SS**  trans-70.6156.9167.7460000112.6
5F30.7Very low33.3Very low185 Ų185158.9 Ų158.981%0.81181%0.808SS**  trans-150.8127.1150-94.6-67.2000113.9
6L39.6Very low33.2Very low163 Ų163161.5 Ų161.585%0.85381%0.812SS**  trans-71.4-175156.5-85.9158.5000110.6
7V32.4Very low33Very low118 Ų118159.7 Ų159.772%0.71581%0.814SS**  trans109.3131.8164.5172.30000113.2
8K34.7Very low32.5Very low175 Ų175158 Ų15876%0.76181%0.807SS**  cis-157163.6-10.5-114173.7-152.8166.30109.6
9K36.8Very low32.2Very low186 Ų186161 Ų16181%0.80981%0.809SS**  trans-62.4146.1159.4-65.1174.1177.2176.30110.3
10H31.8Very low31.9Very low187 Ų187156.8 Ų156.887%0.86680%0.795SS**  trans-121.1123.1149.8-103.4-83.5000110.4
11I34.7Very low31.8Very low139 Ų139157.9 Ų157.971%0.71380%0.797SS**  trans-90.7138164.9-63.9163.7000105.8
12N27.3Very low31.7Very low162 Ų162154.3 Ų154.387%0.86678%0.782SS**  trans-143.5145.6141.9-152-2.6000110.9
13S28.6Very low31Very low98 Ų98157.5 Ų157.569%0.68579%0.787SS**  trans-127.4124.5-169.1-179.60000109.8
14S30.5Very low30.8Very low109 Ų109152.3 Ų152.376%0.76278%0.784SS**  trans174.5128.1174.3-900000107.9
15K31.8Very low30.8Very low197 Ų197153.1 Ų153.186%0.85779%0.787SS**  cis-141.5152.73-75164.9177.8173.70109
16K30.8Very low30.7Very low200 Ų200149.3 Ų149.387%0.8778%0.779SS**PPolyproline II helixtrans-82.8145.5162-61.2178.4179.2-179.50109.6
17P30.6Very low30.3Very low131 Ų131147.7 Ų147.785%0.85178%0.775SS**PPolyproline II helixtrans-87.9129.1141.331.4-24.6000109.1
18N23.3Very low30.2Very low129 Ų129149.9 Ų149.969%0.6978%0.775SS**PPolyproline II helixtrans-97.2132.5164.7-179.59.3000107.1S20N18-S20 PolarHBondContact OD1-N 3.4Å
19Y27Very low30.2Very low215 Ų215149.1 Ų149.184%0.84378%0.778SS**  trans-146.893160.6-131.4-87.7000108.9
20S25.8Very low29.8Very low76 Ų76142.4 Ų142.453%0.53176%0.755SS.*  trans-66.8162156.7-50.30000109.6N18N18-S20 PolarHBondContact OD1-N 3.4Å
21E30.4Very low30.2Very low180 Ų180139.5 Ų139.584%0.84175%0.752SS**  trans65.490.2160.6-62.1173.7163.200116.8
22L31.6Very low30.2Very low161 Ų161141.6 Ų141.684%0.84375%0.753SS**  trans-151.9145.7132.7-106.3144.4000109.5
23E27.5Very low30.7Very low182 Ų182139.4 Ų139.485%0.8574%0.74SS**  trans-82155.6-151.1-61.5170.5128.400115
24S27.2Very low31.2Very low104 Ų104145.6 Ų145.673%0.72775%0.75SS**  trans-72.6135172-56.60000112.2T26S24-T26 PolarHBondContact O-N 3.27Å
25P33.6Very low31.6Very low119 Ų119148.8 Ų148.877%0.77375%0.75SS**  trans-87.793.5145.729.9-26000109V27P25-V27 PolarHBondContact O-N 3.31Å
26T29.5Very low32.2Very low105 Ų105143 Ų14364%0.64475%0.747SS**  trans-65.7100.2177-50.30000111S24 F28S24-T26 PolarHBondContact O-N 3.27Å; T26-F28 HydrophobicContact CG2-CD2 3.83Å; T26-F28 HydrophobicContact CG2-CE2 4.17Å; T26-F28 PolarHBondContact O-N 3.33Å
27V31Very low32.5Very low129 Ų129140.6 Ų140.678%0.78274%0.743SS**  trans-90.895.5167.2-177.40000109.6P25 I29P25-V27 PolarHBondContact O-N 3.31Å; V27-I29 PolarHBondContact O-N 3.06Å
28F29.4Very low32.6Very low164 Ų164140.2 Ų140.272%0.71974%0.74SS**  trans-58.8121.7167-106.3-106.8000110.7T26 S30T26-F28 HydrophobicContact CG2-CD2 3.83Å; T26-F28 HydrophobicContact CG2-CE2 4.17Å; T26-F28 PolarHBondContact O-N 3.33Å; F28-S30 VanDerWaalsContact CD1-OG 3.3Å; F28-S30 WeakPolarHBondContact CD1-OG 3.3Å; F28-S30 WeakPolarHBondContact CE1-OG 3.45Å
29I34.8Very low33.3Very low158 Ų158141.5 Ų141.581%0.8175%0.746SS**  trans-128.493.5146.3-57.5-176.5000107.1V27V27-I29 PolarHBondContact O-N 3.06Å
30S29.3Very low33.6Very low46 Ų46136.4 Ų136.432%0.32274%0.739SS.*  trans-70.8143.8176.2-72.30000111.8F28 Y32F28-S30 VanDerWaalsContact CD1-OG 3.3Å; F28-S30 WeakPolarHBondContact CD1-OG 3.3Å; F28-S30 WeakPolarHBondContact CE1-OG 3.45Å; S30-Y32 PolarHBondContact O-N 3.06Å
31P40.2Very low34.1Very low126 Ų126139.4 Ų139.482%0.81875%0.754SS**  trans-8084172.433.4-33.8000110.7L33P31-L33 PolarHBondContact O-N 3.49Å
32Y34.2Very low34.7Very low183 Ų183137.4 Ų137.472%0.71875%0.748SS**  trans-72.6110.9165.1-72.5-83.7000108.8S30S30-Y32 PolarHBondContact O-N 3.06Å
33L36.8Very low34.9Very low116 Ų116135.1 Ų135.161%0.60774%0.742SS**  60.56986-76.9165.7000113.9P31 K35P31-L33 PolarHBondContact O-N 3.49Å; L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 HydrophobicContact CD2-CD 3.88Å; L33-K35 HydrophobicContact CD2-CG 3.9Å; L33-K35 PolarHBondContact O-N 3.37Å
34Y39.1Very low35.6Very low228 Ų228134.6 Ų134.689%0.89474%0.74SS**  trans-8774.4150.6-82.3-83.5000109.9
35K39.2Very low36.1Very low175 Ų175135 Ų13576%0.76174%0.74SS**  trans-88.4121.5160.7-79.1-175.7178.6179.90108.4L33L33-K35 VanDerWaalsContact C-N 3.29Å; L33-K35 HydrophobicContact CD2-CD 3.88Å; L33-K35 HydrophobicContact CD2-CG 3.9Å; L33-K35 PolarHBondContact O-N 3.37Å
36G45.5Very low36.2Very low76 Ų76137.9 Ų137.978%0.78474%0.743SS**  trans63.377.8154.700000118
37L35.6Very low36.5Very low150 Ų150141 Ų14179%0.78575%0.754SS**  trans-111.9142.4141.7-86.887.8000108.9
38P33.6Very low36.6Very low123 Ų123142.8 Ų142.880%0.79976%0.758SS**PPolyproline II helixtrans-70.4138.8-174.428.7-34.5000111.6
39L36.8Very low36.6Very low155 Ų155139.5 Ų139.581%0.81276%0.756SS**PPolyproline II helixtrans-69141.3170-65.8171.3000109.7V41L39-V41 PolarHBondContact O-N 3.09Å
40P33.5Very low36.5Very low108 Ų108136.5 Ų136.570%0.70175%0.749SS**PPolyproline II helixtrans-63.9124168.427.1-32.6000109.2I42P40-I42 PolarHBondContact O-N 3.49Å; P40-I42 VanDerWaalsContact O-N 3.09Å
41V38.1Very low36.6Very low139 Ų139141.3 Ų141.384%0.84278%0.776SS**  trans-70.7103.7175.9178.80000108.4L39L39-V41 PolarHBondContact O-N 3.09Å
42I42.8Very low36.1Very low139 Ų139139.6 Ų139.671%0.71377%0.773SS**PPolyproline II helixtrans-80.8128.4169.3-57.3176.5000107.4P40P40-I42 PolarHBondContact O-N 3.49Å; P40-I42 VanDerWaalsContact O-N 3.09Å
43P34.6Very low36.1Very low112 Ų112141.1 Ų141.173%0.72778%0.779SS**PPolyproline II helixtrans-58.8138.5179.3-24.634.3000112.6
44Q42.5Very low36.1Very low172 Ų172142.9 Ų142.980%0.80479%0.788SS**PPolyproline II helixtrans-69.8133.5169-63.1-74-3900108.9
45P37.5Very low36.4Very low112 Ų112136.7 Ų136.773%0.72778%0.776SS**PPolyproline II helixtrans-70.2129.4164.329.3-31.4000109.3
46E36.5Very low36.4Very low180 Ų180135.4 Ų135.484%0.84178%0.776SS**PPolyproline II helixtrans-66.5146.8-175.1-62.5-173.1150.100112.9L48E46-L48 PolarHBondContact O-N 3.23Å
47I35.6Very low36Very low169 Ų169137.5 Ų137.587%0.86777%0.774SS**  trans-82.7104.2177.6-54.9169.8000108.5
48L33.3Very low36Very low167 Ų167136.2 Ų136.287%0.87477%0.772SS**  trans-98.6122.4163.4-92.1164.7000110.6E46E46-L48 PolarHBondContact O-N 3.23Å
49S29.4Very low35.8Very low96 Ų96141.2 Ų141.267%0.67178%0.775SS**  trans-80.7149.4-177.3-176.30000112.5
50S31.5Very low35.7Very low95 Ų95140 Ų14066%0.66477%0.774SS**  trans3.4131159.959.10000117.7
51V32.3Very low35.7Very low147 Ų147141.3 Ų141.389%0.89178%0.78SS**  -140.8166.656.1-146.70000107.7
52A30.2Very low35.4Very low90 Ų90139.8 Ų139.874%0.74478%0.776SS**  cis-155.5-175.32500000114.2
53Y34.3Very low35Very low215 Ų215137.8 Ų137.884%0.84377%0.774SS**  trans-93.6138.6171.1-93.7-107.2000112
54N37.2Very low34.9Very low152 Ų152142.3 Ų142.381%0.81378%0.783SS**  176.7164106.8-93.7-35000113.2
55P43.9Very low34.8Very low99 Ų99139.1 Ų139.164%0.64378%0.777SS**  trans-117.7171.1-149.443.9-36000116.3
56I40.8Very low34.4Very low148 Ų148141.1 Ų141.176%0.75978%0.781SS**  trans59.1112.2159.5-58.9151.7000117.1
57T36Very low34.3Very low120 Ų120137.5 Ų137.574%0.73678%0.775SS**  trans-133.6121.313948.10000110.5
58V35.4Very low34.6Very low122 Ų122135.7 Ų135.774%0.73978%0.775SS**  trans-69.9136.5163.2-91.50000109.2
59W30Very low34.7Very low229 Ų229134.7 Ų134.787%0.86777%0.769SS**  trans-103.695.8171.9-8124.1000110.2
60T33.5Very low35.1Very low128 Ų128136 Ų13679%0.78578%0.775SS**  trans-81.7118.1163.946.20000109.3
61T33.6Very low35.1Very low136 Ų136135.8 Ų135.883%0.83477%0.774SS**  trans-100.795.4177.952.10000112.2
62S31.8Very low35Very low107 Ų107136 Ų13675%0.74877%0.77SS**  trans-150.7150.4151.582.30000106
63S36.1Very low35Very low97 Ų97138.9 Ų138.968%0.67877%0.772SS**  cis-153.21607.6-51.60000109
64F32.1Very low35Very low208 Ų208133.8 Ų133.891%0.91277%0.768SS**  trans-161157.1153.1-92-54.6000109.3
65P39Very low35.3Very low104 Ų104132.5 Ų132.568%0.67577%0.768SS**  -131.6160.1-121.437.3-19.2000118.2
66L30.9Very low34.8Very low155 Ų155135.9 Ų135.981%0.81278%0.779SS**  trans43.2106.6146.3-68.5165.2000121.7
67S32.8Very low34.2Very low104 Ų104134.3 Ų134.373%0.72778%0.781SS**  48.1143.6118.3-45.20000121.8
68P42.4Very low33.9Very low131 Ų131131.3 Ų131.385%0.85178%0.775SS**  -135.7164.481.928.5-10.2000116.2
69L34.6Very low33.7Very low145 Ų145136.7 Ų136.776%0.75978%0.783SS**  trans-84.9163.9177.5-146.180.9000111.7
70P37.7Very low34.1Very low123 Ų123131.8 Ų131.880%0.79978%0.781SS**  -136.2158.5113.437.5-28.2000114.6
71S32.2Very low33.8Very low91 Ų91131.1 Ų131.164%0.63678%0.781SS**  trans-78.1145177-43.30000112.1
72D30Very low33.6Very low152 Ų152130 Ų13081%0.81378%0.779SS**  175.3161106.6-110-33.8000115.1
73L31Very low33.5Very low150 Ų150133.1 Ų133.179%0.78579%0.786SS**  trans69.398.7160.2-66.3163.1000121.5
74S34.7Very low33.2Very low108 Ų108133.2 Ų133.276%0.75579%0.787SS**  49.9144.2123.5-55.50000123.7
75P42.3Very low32.9Very low126 Ų126131.1 Ų131.182%0.81879%0.785SS**  trans-90.8152.8-174.837.4-35.8000114.2
76I32.8Very low32.6Very low169 Ų169132.4 Ų132.487%0.86779%0.791SS**  trans-120.7125.8168.8-68.1179.8000110.4
77S28.3Very low32.4Very low115 Ų115130.8 Ų130.880%0.80479%0.793SS**  trans-81.4162.6169.657.60000111.3
78G29.9Very low32.4Very low58 Ų58130.7 Ų130.760%0.59879%0.792SS**  trans176.792.2164.700000114.8
79Y32.6Very low32.1Very low235 Ų235134.3 Ų134.392%0.92280%0.795SS**  trans-147.6135.5130.9-83-64000108.9
80P37Very low31.7Very low125 Ų125133.7 Ų133.781%0.81279%0.792SS**  trans-94156.5-168.235.5-33.3000113.4
81S27Very low31.4Very low114 Ų114136.2 Ų136.280%0.79779%0.793SS**  trans-114.5163.6167.1-83.60000110.6
82S30.1Very low31.2Very low113 Ų113137.6 Ų137.679%0.7980%0.803SS**  trans74.3116.9174.375.40000117.1
83L30.4Very low31Very low173 Ų173134 Ų13491%0.90680%0.802SS**  -133.8126.9110.1-93.1172.2000107.6
84S29.2Very low30.9Very low99 Ų99132.1 Ų132.169%0.69280%0.801SS**  trans-88.7142.8165.450.60000108.7
85D25.9Very low30.5Very low164 Ų164136.2 Ų136.288%0.87781%0.808SS**  trans-145144.3155.4-110-37.9000112.2
86T31.9Very low30.1Very low130 Ų130135.4 Ų135.480%0.79881%0.805SS**  trans-108.3136.2-175530000110.1
87S27.3Very low30.5Very low121 Ų121132.9 Ų132.985%0.84680%0.8SS**  trans-171.6142.6138.5-1570000114
88S32.6Very low30.7Very low102 Ų102138.8 Ų138.871%0.71381%0.805SS**  trans-49.3150.7176.3-43.30000117.4
89K36.3Very low30.6Very low207 Ų207140.6 Ų140.690%0.981%0.808SS**  -159.6148.4127.7-120.6172.1-176.9175.30115.5
90D26.5Very low30.5Very low132 Ų132135.9 Ų135.971%0.70680%0.799SS**  trans-82155.8-160.6-52.1-88000118.3
91H32Very low30.8Very low177 Ų177138 Ų13882%0.81980%0.798SS**  trans66.5152.3134.5-94.970.1000124.3
92S27.8Very low31.2Very low120 Ų120140.7 Ų140.784%0.83980%0.803SS**  trans70.8131172.170.20000116.8
93G26.1Very low31.6Very low77 Ų77143.7 Ų143.779%0.79481%0.81SS**  cis133.7102.9-900000113.4
94S28.9Very low32Very low109 Ų109146 Ų14676%0.76281%0.807SS**  trans-165.8103.5160.657.40000112.7
95E26.6Very low32.3Very low195 Ų195147.8 Ų147.891%0.91181%0.806SS**  trans56.3113.1133.3-55.9-177.7129.400121.6
96S33.8Very low33.3Very low108 Ų108147.7 Ų147.776%0.75581%0.805SS**  trans-84.5164.5150.8-41.20000110.1
97P40.9Very low33.6Very low116 Ų116146.1 Ų146.175%0.75380%0.795SS**  -134.6145.177.612.112.2000113.7
98R31.5Very low34.5Very low240 Ų240148.9 Ų148.991%0.90679%0.792SS**  51.813090.9-60.9-178.2175.4167.7-1.6113.5
99S27.4Very low34.8Very low95 Ų95151.9 Ų151.966%0.66480%0.799SS**  cis-147.3179.622.454.50000110.3
100D31.2Very low34.9Very low137 Ų137148.9 Ų148.973%0.73380%0.798SS**  cis-146.1142.519.9-75.9-80.1000112.1
101E43.8Very low35.4Very low170 Ų170149.8 Ų149.879%0.79480%0.803SS**  trans34.2103.4130.7-53.2-69.3118.300120.4
102D34.3Very low36.4Very low169 Ų169146.3 Ų146.390%0.90480%0.796SS**  trans-167.441136.9-111.9-16000113.2
103D39.5Very low37.2Very low176 Ų176150 Ų15094%0.94180%0.8SS**  trans-103.574-178.9-130.2-22.8000111.3
104R39Very low38.1Very low221 Ų221149.8 Ų149.883%0.83480%0.797SS**  trans-137.576.5-177.5-166.1-175.5167.9162.9-1.3114.3
105M36Very low39.1Very low138 Ų138151.3 Ų151.368%0.6880%0.802SS**  167.890.8117.8-92.4-158.1148.600111.6T107M105-T107 HydrophobicContact CB-CG2 4.25Å; M105-T107 HydrophobicContact CE-CG2 3.9Å; M105-T107 HydrophobicContact CG-CG2 4.18Å; M105-T107 PolarHBondContact O-N 3.33Å; M105-T107 VanDerWaalsContact O-N 3.16Å; M105-T107 HydrophobicContact SD-CG2 3.66Å
106L45.3Very low39.7Very low161 Ų161151.2 Ų151.284%0.84380%0.802SS**  trans-82.371.8156.9-17171.3000109.4K108L106-K108 PolarHBondContact O-N 3.04Å
107T38.7Very low40.4Very low98 Ų98149.8 Ų149.860%0.60180%0.796SS**  trans-76.589.6171.646.60000110.1M105 L109M105-T107 HydrophobicContact CB-CG2 4.25Å; M105-T107 HydrophobicContact CE-CG2 3.9Å; M105-T107 HydrophobicContact CG-CG2 4.18Å; M105-T107 PolarHBondContact O-N 3.33Å; M105-T107 VanDerWaalsContact O-N 3.16Å; M105-T107 HydrophobicContact SD-CG2 3.66Å; T107-L109 PolarHBondContact O-N 2.85Å
108K46.8Very low41.4Very low178 Ų178152.3 Ų152.377%0.77480%0.798SS**  trans-66.8114.9158.7-70-175.7178.5-177.60108.8L106L106-K108 PolarHBondContact O-N 3.04Å
109L37.4Very low43.4Very low165 Ų165146.2 Ų146.286%0.86478%0.78SS**  trans-136.5106.1153.8-76.1178.2000108.7T107T107-L109 PolarHBondContact O-N 2.85Å
110T39.9Very low45.7Very low144 Ų144145 Ų14588%0.88376%0.762SS**  trans-77.2125.4160.545.20000108.3
111D36.3Very low47.8Very low151 Ų151143.6 Ų143.681%0.80775%0.752SS**  trans-124.9132.9165.1-125.3-30.4000109.3H113D111-H113 PolarHBondContact O-N 3.39Å
112P52.3Low49.4Very low104 Ų104135.5 Ų135.568%0.67571%0.714SS**SBendtrans-89.592.2-177.533.4-28.1000109.6
113H45Very low51.1Low198 Ų198132 Ų13292%0.91770%0.702SS**SBendtrans165.2120.6142.7-90.297.7000110D111D111-H113 PolarHBondContact O-N 3.39Å
114G45.9Very low52.4Low72 Ų72129.1 Ų129.174%0.74269%0.687SS**SBendtrans94.782.3151.800000119
115V49Very low54.1Low141 Ų141121.1 Ų121.186%0.85566%0.664SS**  trans55.289.9143.1-163.20000118
116E39.4Very low55.7Low194 Ų194120 Ų12091%0.90766%0.661SS**  trans-130115.5137.2-70.5-157.7147.900109.5
117A48.3Very low57.3Low78 Ų78117.8 Ų117.865%0.64564%0.644SS**  trans-81.1125.4173.700000108.6Q119A117-Q119 WeakPolarHBondContact O-CG 3.43Å; A117-Q119 PolarHBondContact O-N 3.23Å
118E61.5Low59.4Low169 Ų169116 Ų11679%0.7964%0.635SS**  trans-6093.2175.2-67.7-173.6148.900110.8
119Q73.6Confident61Low112 Ų112110.2 Ų110.252%0.52361%0.609SS.*  trans-90.3120.3174.9-60.2-174.522.800109.7A117 Q121 S128 Y129A117-Q119 WeakPolarHBondContact O-CG 3.43Å; A117-Q119 PolarHBondContact O-N 3.23Å; Q119-Q121 PolarHBondContact O-N 2.86Å; Q119-Q121 VanDerWaalsContact O-N 3.08Å; Q119-S128 PolarHBondContact OE1-OG 2.8Å; Q119-Y129 CarbonylContact C-O 3.55Å; Q119-Y129 WeakPolarHBondContact CA-O 3.29Å
120F75.4Confident63Low68 Ų68107.4 Ų107.430%0.29860%0.604SS.*EExtended strand (participates in β ladder)trans-70.8102.7-179.7-61.2-83.5000110.3Y129 Y132 L135F120-Y129 PolarHBondContact N-O 3.34Å; F120-Y129 WeakPolarHBondContact O-CD2 3.44Å; F120-Y129 PolarHBondContact O-N 3.21Å; F120-Y132 AromaticContact CD1-CD2 3.64Å; F120-Y132 HydrophobicContact CD1-CD2 3.64Å; F120-Y132 HydrophobicContact CD1-CG 4.31Å; F120-Y132 AromaticContact CE1-CD2 3.85Å; F120-Y132 HydrophobicContact CE1-CD2 3.85Å; F120-Y132 HydrophobicContact CE1-CG 4.34Å; F120-Y132 VanDerWaalsContact CE2-N 3.33Å; F120-Y132 HydrophobicContact CG-CD2 4.36Å; F120-L135 HydrophobicContact CB-CB 3.79Å; F120-L135 HydrophobicContact CB-CD2 3.7Å; F120-L135 HydrophobicContact CB-CG 4.34Å
121Q76.6Confident64.9Low108 Ų108104 Ų10451%0.50558%0.583SS.*EExtended strand (participates in β ladder)trans-84.6142.8-177.7-172.9167.2-33.100113Q119 N126 K127 L135Q119-Q121 PolarHBondContact O-N 2.86Å; Q119-Q121 VanDerWaalsContact O-N 3.08Å; Q121-N126 VanDerWaalsContact NE2-CG 3.27Å; Q121-N126 PolarHBondContact NE2-OD1 2.96Å; Q121-K127 CarbonylContact C-O 3.6Å; Q121-K127 WeakPolarHBondContact CA-O 3.3Å; Q121-L135 WeakPolarHBondContact O-CD2 3.45Å
122C76.3Confident66.7Low0 Ų0103 Ų1030%057%0.569CS.*  trans-85.5115.4171-1680000111.6L124 C125 N126 K127 L135 H138 H142C122-L124 PolarHBondContact O-N 2.99Å; C122-L124 VanDerWaalsContact O-N 3.09Å; C122-C125 PolarHBondContact O-N 3Å; C122-N126 VanDerWaalsContact O-CA 3.25Å; C122-N126 WeakPolarHBondContact O-CA 3.47Å; C122-N126 PolarHBondContact O-N 3.26Å; C122-K127 PolarHBondContact N-O 2.07Å; C122-L135 HydrophobicContact CB-CD1 3.62Å; C122-H138 VanDerWaalsContact CB-CD2 3.47Å; C122-H138 WeakPolarHBondContact CB-CD2 3.39Å; C122-H138 WeakPolarHBondContact CB-NE2 3.29Å; C122-H138 PolarHBondContact SG-NE2 3.06Å; C122-H138 VanDerWaalsContact SG-NE2 3.41Å; C122-H142 VanDerWaalsContact SG-CD2 3.52Å; C122-H142 PolarHBondContact SG-NE2 3.34Å
123S69.8Low67.9Low95 Ų95101.7 Ų101.766%0.66456%0.562SS**THydrogen-bonded Turntrans-59.7-17.3175.249.50000114.9
124L67Low69.5Low117 Ų11793.1 Ų93.161%0.61353%0.526SS*.THydrogen-bonded Turntrans-96.1-15.8-176.6-60.9175.6000114.1C122 H142C122-L124 PolarHBondContact O-N 2.99Å; C122-L124 VanDerWaalsContact O-N 3.09Å; L124-H142 HydrophobicContact CD1-CB 3.49Å; L124-H142 VanDerWaalsContact CD1-CB 3.49Å
125C74.6Confident71.1Confident53 Ų5390 Ų9036%0.35849%0.493SS..THydrogen-bonded Turntrans-155.822174.274.80000115.1C122 K127 H138 H142C122-C125 PolarHBondContact O-N 3Å; C125-K127 PolarHBondContact O-N 3.17Å; C125-H138 VanDerWaalsContact SG-CE1 3.52Å; C125-H138 PolarHBondContact SG-NE2 3.48Å; C125-H142 PolarHBondContact SG-NE2 2.98Å
126N71.3Confident72.3Confident115 Ų11587.3 Ų87.362%0.61547%0.473SS*.  trans49.924.6176.5-69.2-20.1000116.8Q121 C122Q121-N126 VanDerWaalsContact NE2-CG 3.27Å; Q121-N126 PolarHBondContact NE2-OD1 2.96Å; C122-N126 VanDerWaalsContact O-CA 3.25Å; C122-N126 WeakPolarHBondContact O-CA 3.47Å; C122-N126 PolarHBondContact O-N 3.26Å
127K78.9Confident74Confident114 Ų11485 Ų8550%0.49646%0.46SS..  trans-79.6126172.4-71.5179.6-174.4178.70110.1Q121 C122 C125 Y129Q121-K127 CarbonylContact C-O 3.6Å; Q121-K127 WeakPolarHBondContact CA-O 3.3Å; C122-K127 PolarHBondContact N-O 2.07Å; C125-K127 PolarHBondContact O-N 3.17Å; K127-Y129 HydrophobicContact CB-CE2 3.65Å; K127-Y129 WeakPolarHBondContact O-CD2 3.41Å; K127-Y129 WeakPolarHBondContact O-CE2 3.27Å
128S82.1Confident75.3Confident59 Ų5981.9 Ų81.941%0.41343%0.432SS..EExtended strand (participates in β ladder)trans-90.7147.6176.6680000111.6Q119Q119-S128 PolarHBondContact OE1-OG 2.8Å
129Y81.3Confident75.6Confident58 Ų5877.5 Ų77.523%0.22741%0.411CS..EExtended strand (participates in β ladder)trans-135.2132.4-177.8-68.6-89.8000110.4Q119 F120 K127 T131 L135 H138Q119-Y129 CarbonylContact C-O 3.55Å; Q119-Y129 WeakPolarHBondContact CA-O 3.29Å; F120-Y129 PolarHBondContact N-O 3.34Å; F120-Y129 WeakPolarHBondContact O-CD2 3.44Å; F120-Y129 PolarHBondContact O-N 3.21Å; K127-Y129 HydrophobicContact CB-CE2 3.65Å; K127-Y129 WeakPolarHBondContact O-CD2 3.41Å; K127-Y129 WeakPolarHBondContact O-CE2 3.27Å; Y129-T131 PolarHBondContact O-N 3.28Å; Y129-L135 HydrophobicContact CD2-CB 4.09Å; Y129-L135 HydrophobicContact CD2-CD1 3.99Å; Y129-L135 HydrophobicContact CE2-CD1 4.35Å; Y129-L135 HydrophobicContact CG-CB 4.27Å; Y129-H138 HydrophobicContact CE1-CB 4.04Å; Y129-H138 HydrophobicContact CE2-CB 3.83Å; Y129-H138 AromaticContact CE2-CD2 3.26Å; Y129-H138 WeakPolarHBondContact CE2-CD2 3.45Å; Y129-H138 AromaticContact CE2-CG 3.64Å; Y129-H138 AromaticContact CZ-CD2 3.58Å; Y129-H138 AromaticContact CZ-CG 3.46Å; Y129-H138 VanDerWaalsContact CZ-CG 3.46Å; Y129-H138 WeakPolarHBondContact OH-CB 3.41Å; Y129-H138 PolarHBondContact OH-CD2 3.44Å; Y129-H138 PolarHBondContact OH-ND1 2.83Å
130S78.4Confident75.4Confident106 Ų10677.9 Ų77.974%0.74141%0.412SS*.SBendtrans-67.6-4.3176.256.10000114.8
131T80Confident74.8Confident73 Ų7380.1 Ų80.145%0.44843%0.427SS..SBendtrans-145.8140.9177.954.30000111.3Y129 S133 G134 L135Y129-T131 PolarHBondContact O-N 3.28Å; T131-S133 PolarHBondContact O-N 3.21Å; T131-G134 WeakPolarHBondContact O-CA 3.39Å; T131-G134 PolarHBondContact O-N 2.82Å; T131-G134 PolarHBondContact OG1-N 3.07Å; T131-L135 PolarHBondContact O-N 2.94Å; T131-L135 VanDerWaalsContact O-N 3.13Å
132Y73.4Confident74.3Confident130 Ų13077.6 Ų77.651%0.5142%0.415SS..Hα-helixtrans-58-38.5176.3-174.6-96.1000111.9F120 G134 L135 L136F120-Y132 AromaticContact CD1-CD2 3.64Å; F120-Y132 HydrophobicContact CD1-CD2 3.64Å; F120-Y132 HydrophobicContact CD1-CG 4.31Å; F120-Y132 AromaticContact CE1-CD2 3.85Å; F120-Y132 HydrophobicContact CE1-CD2 3.85Å; F120-Y132 HydrophobicContact CE1-CG 4.34Å; F120-Y132 VanDerWaalsContact CE2-N 3.33Å; F120-Y132 HydrophobicContact CG-CD2 4.36Å; Y132-G134 PolarHBondContact O-N 2.8Å; Y132-L135 CarbonylContact O-C 3.26Å; Y132-L135 PolarHBondContact O-N 3.48Å; Y132-L135 VanDerWaalsContact O-N 3.15Å; Y132-L136 WeakPolarHBondContact O-CB 3.22Å; Y132-L136 PolarHBondContact O-N 3.44Å
133S77.2Confident73.5Confident76 Ų7681.6 Ų81.653%0.53144%0.442SS..Hα-helixtrans-62.2-28.8173.8-54.50000113.5T131 K137T131-S133 PolarHBondContact O-N 3.21Å; S133-K137 WeakPolarHBondContact O-CD 3.48Å; S133-K137 VanDerWaalsContact O-CG 3.29Å; S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.43Å
134G79.6Confident72.7Confident17 Ų1780.5 Ų80.518%0.17543%0.428CS..Hα-helixtrans-70.5-47.5171.100000111.5T131 Y132 L136 K137 H138T131-G134 WeakPolarHBondContact O-CA 3.39Å; T131-G134 PolarHBondContact O-N 2.82Å; T131-G134 PolarHBondContact OG1-N 3.07Å; Y132-G134 PolarHBondContact O-N 2.8Å; G134-L136 VanDerWaalsContact C-N 3.35Å; G134-L136 PolarHBondContact O-N 2.91Å; G134-K137 PolarHBondContact O-N 2.88Å; G134-H138 WeakPolarHBondContact O-CB 3.33Å; G134-H138 PolarHBondContact O-N 3.05Å
135L78.9Confident72.2Confident8 Ų879.2 Ų79.24%0.04244%0.435CS..Hα-helixtrans-59.7-42.8174.3175.361.4000111.8F120 Q121 C122 Y129 T131 Y132 H138 K139F120-L135 HydrophobicContact CB-CB 3.79Å; F120-L135 HydrophobicContact CB-CD2 3.7Å; F120-L135 HydrophobicContact CB-CG 4.34Å; Q121-L135 WeakPolarHBondContact O-CD2 3.45Å; C122-L135 HydrophobicContact CB-CD1 3.62Å; Y129-L135 HydrophobicContact CD2-CB 4.09Å; Y129-L135 HydrophobicContact CD2-CD1 3.99Å; Y129-L135 HydrophobicContact CE2-CD1 4.35Å; Y129-L135 HydrophobicContact CG-CB 4.27Å; T131-L135 PolarHBondContact O-N 2.94Å; T131-L135 VanDerWaalsContact O-N 3.13Å; Y132-L135 CarbonylContact O-C 3.26Å; Y132-L135 PolarHBondContact O-N 3.48Å; Y132-L135 VanDerWaalsContact O-N 3.15Å; L135-H138 CarbonylContact O-C 3.4Å; L135-H138 WeakPolarHBondContact O-CA 3.41Å; L135-H138 WeakPolarHBondContact O-CB 3.45Å; L135-H138 PolarHBondContact O-N 2.9Å; L135-H138 VanDerWaalsContact O-N 3.11Å; L135-K139 HydrophobicContact CD1-CD 4.4Å; L135-K139 HydrophobicContact CD1-CG 4.07Å; L135-K139 HydrophobicContact CG-CD 4.24Å; L135-K139 HydrophobicContact CG-CG 4.31Å; L135-K139 PolarHBondContact O-N 3.27Å
136L74.5Confident71.3Confident83 Ų8385.3 Ų85.344%0.43546%0.458SS..Hα-helixtrans-65-42.7-177.8-172.162.9000112Y132 G134 H138 K139 Q140Y132-L136 WeakPolarHBondContact O-CB 3.22Å; Y132-L136 PolarHBondContact O-N 3.44Å; G134-L136 VanDerWaalsContact C-N 3.35Å; G134-L136 PolarHBondContact O-N 2.91Å; L136-H138 PolarHBondContact O-N 3.38Å; L136-K139 PolarHBondContact O-N 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.36Å; L136-Q140 PolarHBondContact O-N 2.96Å; L136-Q140 VanDerWaalsContact O-N 3.12Å
137K74.8Confident70.2Confident145 Ų14585.2 Ų85.263%0.6346%0.462SS*.Hα-helixtrans-62.9-31.8171.7-72.3170.2-175172.60112.5S133 G134S133-K137 WeakPolarHBondContact O-CD 3.48Å; S133-K137 VanDerWaalsContact O-CG 3.29Å; S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.43Å; G134-K137 PolarHBondContact O-N 2.88Å
138H76Confident69.1Low14 Ų1489 Ų897%0.06547%0.473CS..Hα-helixtrans-77.4-37.8175.2170.153.4000112.8C122 C125 Y129 G134 L135 L136 Q140 L141 H142C122-H138 VanDerWaalsContact CB-CD2 3.47Å; C122-H138 WeakPolarHBondContact CB-CD2 3.39Å; C122-H138 WeakPolarHBondContact CB-NE2 3.29Å; C122-H138 PolarHBondContact SG-NE2 3.06Å; C122-H138 VanDerWaalsContact SG-NE2 3.41Å; C125-H138 VanDerWaalsContact SG-CE1 3.52Å; C125-H138 PolarHBondContact SG-NE2 3.48Å; Y129-H138 HydrophobicContact CE1-CB 4.04Å; Y129-H138 HydrophobicContact CE2-CB 3.83Å; Y129-H138 AromaticContact CE2-CD2 3.26Å; Y129-H138 WeakPolarHBondContact CE2-CD2 3.45Å; Y129-H138 AromaticContact CE2-CG 3.64Å; Y129-H138 AromaticContact CZ-CD2 3.58Å; Y129-H138 AromaticContact CZ-CG 3.46Å; Y129-H138 VanDerWaalsContact CZ-CG 3.46Å; Y129-H138 WeakPolarHBondContact OH-CB 3.41Å; Y129-H138 PolarHBondContact OH-CD2 3.44Å; Y129-H138 PolarHBondContact OH-ND1 2.83Å; G134-H138 WeakPolarHBondContact O-CB 3.33Å; G134-H138 PolarHBondContact O-N 3.05Å; L135-H138 CarbonylContact O-C 3.4Å; L135-H138 WeakPolarHBondContact O-CA 3.41Å; L135-H138 WeakPolarHBondContact O-CB 3.45Å; L135-H138 PolarHBondContact O-N 2.9Å; L135-H138 VanDerWaalsContact O-N 3.11Å; L136-H138 PolarHBondContact O-N 3.38Å; H138-Q140 PolarHBondContact O-N 2.76Å; H138-L141 WeakPolarHBondContact O-CA 3.29Å; H138-L141 VanDerWaalsContact O-CB 3.27Å; H138-L141 WeakPolarHBondContact O-CB 3.01Å; H138-L141 PolarHBondContact O-N 3.16Å; H138-H142 AromaticContact CE1-CD2 3.75Å; H138-H142 AromaticContact CE1-NE2 3.15Å; H138-H142 PolarHBondContact CE1-NE2 3.21Å; H138-H142 AromaticContact NE2-CD2 3.74Å; H138-H142 AromaticContact NE2-NE2 3.09Å; H138-H142 PolarHBondContact NE2-NE2 3.03Å
139K67.8Low68.1Low77 Ų7794.1 Ų94.134%0.33549%0.488SS..Hα-helixtrans-59.6-32.7171.9-77.2-176.3173.7-176.30111.8L135 L136 L141 H142 C143L135-K139 HydrophobicContact CD1-CD 4.4Å; L135-K139 HydrophobicContact CD1-CG 4.07Å; L135-K139 HydrophobicContact CG-CD 4.24Å; L135-K139 HydrophobicContact CG-CG 4.31Å; L135-K139 PolarHBondContact O-N 3.27Å; L136-K139 PolarHBondContact O-N 3.3Å; K139-L141 PolarHBondContact O-N 2.94Å; K139-H142 WeakPolarHBondContact O-CB 2.98Å; K139-H142 PolarHBondContact O-N 3.36Å; K139-C143 PolarHBondContact O-N 3.44Å; K139-C143 VanDerWaalsContact O-N 3.14Å
140Q69.1Low67.4Low120 Ų12093.3 Ų93.356%0.56149%0.491SS*.THydrogen-bonded Turntrans-60.8-28.1171.2-72.7168.2-16.800113.5L136 H138 H142 C143L136-Q140 WeakPolarHBondContact O-CG 3.36Å; L136-Q140 PolarHBondContact O-N 2.96Å; L136-Q140 VanDerWaalsContact O-N 3.12Å; H138-Q140 PolarHBondContact O-N 2.76Å; Q140-H142 VanDerWaalsContact C-N 3.28Å; Q140-H142 PolarHBondContact O-N 3.41Å; Q140-C143 PolarHBondContact O-N 3.09Å
141L63.8Low67.2Low114 Ų11491.3 Ų91.360%0.59747%0.469SS*.THydrogen-bonded Turntrans-74.9-16.4173.4-53.5173.9000113.1H138 K139H138-L141 WeakPolarHBondContact O-CA 3.29Å; H138-L141 VanDerWaalsContact O-CB 3.27Å; H138-L141 WeakPolarHBondContact O-CB 3.01Å; H138-L141 PolarHBondContact O-N 3.16Å; K139-L141 PolarHBondContact O-N 2.94Å
142H64.8Low67Low55 Ų5591.4 Ų91.426%0.25547%0.472SS..THydrogen-bonded Turntrans-89.8-26.4172.1-67.8-74.4000112.1C122 L124 C125 H138 K139 Q140 D144 A145C122-H142 VanDerWaalsContact SG-CD2 3.52Å; C122-H142 PolarHBondContact SG-NE2 3.34Å; L124-H142 HydrophobicContact CD1-CB 3.49Å; L124-H142 VanDerWaalsContact CD1-CB 3.49Å; C125-H142 PolarHBondContact SG-NE2 2.98Å; H138-H142 AromaticContact CE1-CD2 3.75Å; H138-H142 AromaticContact CE1-NE2 3.15Å; H138-H142 PolarHBondContact CE1-NE2 3.21Å; H138-H142 AromaticContact NE2-CD2 3.74Å; H138-H142 AromaticContact NE2-NE2 3.09Å; H138-H142 PolarHBondContact NE2-NE2 3.03Å; K139-H142 WeakPolarHBondContact O-CB 2.98Å; K139-H142 PolarHBondContact O-N 3.36Å; Q140-H142 VanDerWaalsContact C-N 3.28Å; Q140-H142 PolarHBondContact O-N 3.41Å; H142-D144 PolarHBondContact O-N 3.01Å; H142-A145 PolarHBondContact O-N 3.25Å
143C59.1Low67.3Low84 Ų8485.7 Ų85.757%0.56845%0.451SS*.G310 helixtrans-67.4-6.7172.1-74.80000114.3K139 Q140 A145K139-C143 PolarHBondContact O-N 3.44Å; K139-C143 VanDerWaalsContact O-N 3.14Å; Q140-C143 PolarHBondContact O-N 3.09Å; C143-A145 PolarHBondContact O-N 2.87Å
144D54.2Low67.3Low72 Ų7291.3 Ų91.339%0.38547%0.466SS..G310 helixtrans-68.7-11.7175.9-74.8-30.3000113.9H142 V161H142-D144 PolarHBondContact O-N 3.01Å; D144-V161 WeakPolarHBondContact OD1-CG1 3.38Å
145A55.5Low67Low90 Ų9097.6 Ų97.674%0.74449%0.485SS*.G310 helixtrans-79.3-22.7-18000000114.9H142 C143H142-A145 PolarHBondContact O-N 3.25Å; C143-A145 PolarHBondContact O-N 2.87Å
146Q56.4Low66.9Low182 Ų18298.6 Ų98.685%0.8549%0.493SS*.THydrogen-bonded Turntrans-136.9-9.7-163.9-116.4164.5-4.800117.6
147T49Very low66.9Low113 Ų113104 Ų10469%0.69352%0.516SS*.  trans-136.985.8169.353.80000112.1K149T147-K149 VanDerWaalsContact C-N 3.28Å; T147-K149 PolarHBondContact O-N 3.07Å
148R54.8Low67Low192 Ų192103 Ų10373%0.72551%0.512SS*.  trans-70.577.2177.2-75.9-116.8-88.1147.9-7.6112.1S150 E159R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 2.9Å; R148-E159 IonicContact CZ-OE2 3.85Å; R148-E159 IonicContact NH1-OE2 2.72Å; R148-E159 PolarHBondContact NH1-OE2 3.28Å
149K61.7Low67.1Low168 Ų168107.2 Ų107.273%0.7353%0.531SS*.  trans-89.268.9159.3-164167-172.1169.40109.5T147T147-K149 VanDerWaalsContact C-N 3.28Å; T147-K149 PolarHBondContact O-N 3.07Å
150S66.3Low67.5Low41 Ų41105.9 Ų105.929%0.28752%0.524SS..  trans-66.6149172.748.30000111.1R148 E159R148-S150 VanDerWaalsContact C-N 3.28Å; R148-S150 PolarHBondContact O-N 2.9Å; S150-E159 WeakPolarHBondContact CB-OE1 3.47Å; S150-E159 PolarHBondContact OG-OE1 3.27Å
151F74.6Confident67.8Low64 Ų64104.8 Ų104.828%0.28153%0.526SS..EExtended strand (participates in β ladder)trans-108.5106.6174.4-64.6-87.5000108.8Y160 L163 L166F151-Y160 PolarHBondContact N-O 3.15Å; F151-Y160 PolarHBondContact O-N 2.87Å; F151-L163 HydrophobicContact CD1-CB 4.08Å; F151-L163 HydrophobicContact CD1-CD1 3.85Å; F151-L163 HydrophobicContact CD2-CB 4.33Å; F151-L163 HydrophobicContact CE1-CB 3.9Å; F151-L163 HydrophobicContact CE1-CD1 4.1Å; F151-L163 HydrophobicContact CE1-CG 4.41Å; F151-L163 HydrophobicContact CE2-CB 4.16Å; F151-L163 HydrophobicContact CG-CB 4.29Å; F151-L163 HydrophobicContact CG-CD1 4.5Å; F151-L163 HydrophobicContact CZ-CB 3.94Å; F151-L166 HydrophobicContact CB-CB 4.05Å; F151-L166 HydrophobicContact CB-CD2 3.7Å; F151-L166 HydrophobicContact CB-CG 4.45Å
152S75.3Confident68.3Low74 Ų74102.1 Ų102.152%0.51752%0.517SS..EExtended strand (participates in β ladder)trans-79.9145.1179.954.60000112.9L166S152-L166 WeakPolarHBondContact O-CD2 3.47Å
153C79.9Confident68.9Low10 Ų10103.2 Ų103.27%0.06852%0.524CS..  trans-72.9138.6169.9163.30000110.5C156 K158 Y160 L166 H169 H173C153-C156 CarbonylContact C-O 3.46Å; C153-C156 VanDerWaalsContact C-O 3.26Å; C153-C156 WeakPolarHBondContact CA-O 3.46Å; C153-C156 HydrophobicContact CB-CB 4.34Å; C153-C156 WeakPolarHBondContact CB-O 3.45Å; C153-C156 WeakPolarHBondContact CB-SG 3.43Å; C153-C156 VanDerWaalsContact SG-CA 3.58Å; C153-C156 WeakPolarHBondContact SG-CB 3.41Å; C153-C156 PolarHBondContact SG-N 2.91Å; C153-C156 PolarHBondContact SG-O 3.44Å; C153-C156 CovalentContact SG-SG 2.07Å; C153-C156 PolarHBondContact SG-SG 2.83Å; C153-K158 HydrophobicContact CB-CB 4.46Å; C153-K158 WeakPolarHBondContact CB-O 3.5Å; C153-K158 PolarHBondContact N-O 3.22Å; C153-Y160 HydrophobicContact CB-CE2 4.31Å; C153-L166 HydrophobicContact CB-CD1 3.95Å; C153-H169 PolarHBondContact SG-NE2 3.27Å; C153-H169 VanDerWaalsContact SG-NE2 3.44Å; C153-H173 PolarHBondContact SG-NE2 3.13Å
154K76.6Confident69.7Low194 Ų194101.6 Ų101.684%0.84352%0.522SS*.SBendtrans-83.8-20.3178.2-64.7-168.9177.1-169.50113.5
155Y74.3Confident70.8Confident149 Ų149100 Ų10058%0.58452%0.518SS*.SBendtrans-99.9-0.8-179-57-78.1000112.3I170 H173 T174Y155-I170 HydrophobicContact CE2-CG2 4.09Å; Y155-H173 HydrophobicContact CD2-CB 3.95Å; Y155-H173 HydrophobicContact CG-CB 4.01Å; Y155-T174 HydrophobicContact CE2-CG2 4.4Å
156C76.4Confident72Confident29 Ų2996.4 Ų96.420%0.19649%0.487CS..SBendtrans-171.9146.4-170.869.90000110.2C153 K158 H169 H173C153-C156 CarbonylContact C-O 3.46Å; C153-C156 VanDerWaalsContact C-O 3.26Å; C153-C156 WeakPolarHBondContact CA-O 3.46Å; C153-C156 HydrophobicContact CB-CB 4.34Å; C153-C156 WeakPolarHBondContact CB-O 3.45Å; C153-C156 WeakPolarHBondContact CB-SG 3.43Å; C153-C156 VanDerWaalsContact SG-CA 3.58Å; C153-C156 WeakPolarHBondContact SG-CB 3.41Å; C153-C156 PolarHBondContact SG-N 2.91Å; C153-C156 PolarHBondContact SG-O 3.44Å; C153-C156 CovalentContact SG-SG 2.07Å; C153-C156 PolarHBondContact SG-SG 2.83Å; C156-K158 PolarHBondContact O-N 3.37Å; C156-H169 PolarHBondContact SG-NE2 3.36Å; C156-H173 PolarHBondContact SG-NE2 3.31Å
157E74.7Confident73Confident197 Ų19793.9 Ų93.992%0.92147%0.473SS*.SBendtrans-78.124.3-175.4-63.5171-175.200113.9
158K76.3Confident74.2Confident124 Ų12492.3 Ų92.354%0.53946%0.459SS..  trans-80.7124.5-179.4-65.4-173.5178.4-177.30111.1C153 C156 Y160C153-K158 HydrophobicContact CB-CB 4.46Å; C153-K158 WeakPolarHBondContact CB-O 3.5Å; C153-K158 PolarHBondContact N-O 3.22Å; C156-K158 PolarHBondContact O-N 3.37Å; K158-Y160 HydrophobicContact CB-CE2 3.67Å; K158-Y160 WeakPolarHBondContact O-CD2 3.45Å; K158-Y160 WeakPolarHBondContact O-CE2 3.34Å
159E79.4Confident75.3Confident102 Ų10284.3 Ų84.348%0.47743%0.43SS..EExtended strand (participates in β ladder)trans-87.6144.2173.2-61.2-161.2117.500112.1R148 S150R148-E159 IonicContact CZ-OE2 3.85Å; R148-E159 IonicContact NH1-OE2 2.72Å; R148-E159 PolarHBondContact NH1-OE2 3.28Å; S150-E159 WeakPolarHBondContact CB-OE1 3.47Å; S150-E159 PolarHBondContact OG-OE1 3.27Å
160Y76Confident76Confident49 Ų4978.5 Ų78.519%0.19241%0.406CS..EExtended strand (participates in β ladder)trans-128.7133.9176.3-66-84.5000110.8F151 C153 K158 S162 A165 L166 H169F151-Y160 PolarHBondContact N-O 3.15Å; F151-Y160 PolarHBondContact O-N 2.87Å; C153-Y160 HydrophobicContact CB-CE2 4.31Å; K158-Y160 HydrophobicContact CB-CE2 3.67Å; K158-Y160 WeakPolarHBondContact O-CD2 3.45Å; K158-Y160 WeakPolarHBondContact O-CE2 3.34Å; Y160-S162 PolarHBondContact O-N 3.27Å; Y160-A165 HydrophobicContact CD1-CB 3.84Å; Y160-A165 HydrophobicContact CG-CB 4.37Å; Y160-L166 HydrophobicContact CD2-CB 4.12Å; Y160-L166 HydrophobicContact CD2-CD1 3.79Å; Y160-L166 HydrophobicContact CE2-CD1 4.26Å; Y160-L166 HydrophobicContact CG-CB 4.2Å; Y160-H169 HydrophobicContact CE1-CB 3.94Å; Y160-H169 HydrophobicContact CE2-CB 3.9Å; Y160-H169 AromaticContact CE2-CD2 3.34Å; Y160-H169 WeakPolarHBondContact CE2-CD2 3.43Å; Y160-H169 AromaticContact CE2-CG 3.69Å; Y160-H169 AromaticContact CZ-CD2 3.47Å; Y160-H169 VanDerWaalsContact CZ-CD2 3.47Å; Y160-H169 AromaticContact CZ-CG 3.37Å; Y160-H169 PolarHBondContact OH-CD2 3.29Å; Y160-H169 PolarHBondContact OH-ND1 2.72Å
161V74.6Confident76.1Confident98 Ų9881.7 Ų81.759%0.59441%0.412SS*.SBendtrans-61.9-28.3175.9174.90000112.3D144D144-V161 WeakPolarHBondContact OD1-CG1 3.38Å
162S75.1Confident75.7Confident57 Ų5781.8 Ų81.840%0.39942%0.418SS..SBendtrans-129.7143.9179.667.90000113.3Y160 G164 A165 L166Y160-S162 PolarHBondContact O-N 3.27Å; S162-G164 PolarHBondContact O-N 2.84Å; S162-A165 PolarHBondContact O-N 3.29Å; S162-A165 VanDerWaalsContact OG-CB 3.32Å; S162-A165 WeakPolarHBondContact OG-CB 3.5Å; S162-A165 PolarHBondContact OG-N 3.36Å; S162-L166 PolarHBondContact O-N 3.19Å
163L76.1Confident75.4Confident78 Ų7881.8 Ų81.841%0.40841%0.409SS..Hα-helixtrans-57.9-30.1172.5-176.662.4000112.3F151 L166 K167F151-L163 HydrophobicContact CD1-CB 4.08Å; F151-L163 HydrophobicContact CD1-CD1 3.85Å; F151-L163 HydrophobicContact CD2-CB 4.33Å; F151-L163 HydrophobicContact CE1-CB 3.9Å; F151-L163 HydrophobicContact CE1-CD1 4.1Å; F151-L163 HydrophobicContact CE1-CG 4.41Å; F151-L163 HydrophobicContact CE2-CB 4.16Å; F151-L163 HydrophobicContact CG-CB 4.29Å; F151-L163 HydrophobicContact CG-CD1 4.5Å; F151-L163 HydrophobicContact CZ-CB 3.94Å; L163-L166 HydrophobicContact CD1-CD2 4.42Å; L163-K167 HydrophobicContact CG-CD 4.4Å; L163-K167 WeakPolarHBondContact O-CB 3.48Å; L163-K167 VanDerWaalsContact O-CG 3.3Å; L163-K167 WeakPolarHBondContact O-CG 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å
164G77.1Confident74.7Confident51 Ų5184.5 Ų84.553%0.52643%0.426SS..Hα-helixtrans-66.3-43.917400000112.7S162 K167 M168S162-G164 PolarHBondContact O-N 2.84Å; G164-K167 PolarHBondContact O-N 2.93Å; G164-M168 WeakPolarHBondContact O-CB 3.49Å; G164-M168 PolarHBondContact O-N 3.13Å
165A77.7Confident74.3Confident38 Ų3878.7 Ų78.731%0.31440%0.403SS..Hα-helixtrans-65.8-41.6173.800000111.5Y160 S162 M168 H169Y160-A165 HydrophobicContact CD1-CB 3.84Å; Y160-A165 HydrophobicContact CG-CB 4.37Å; S162-A165 PolarHBondContact O-N 3.29Å; S162-A165 VanDerWaalsContact OG-CB 3.32Å; S162-A165 WeakPolarHBondContact OG-CB 3.5Å; S162-A165 PolarHBondContact OG-N 3.36Å; A165-M168 PolarHBondContact O-N 3.28Å; A165-H169 WeakPolarHBondContact O-CB 3.38Å; A165-H169 PolarHBondContact O-N 2.96Å
166L79Confident73.9Confident15 Ų1575 Ų758%0.07940%0.397CS..Hα-helixtrans-59.6-48.3172.8175.260.6000111.6F151 S152 C153 Y160 S162 L163 M168 H169 I170F151-L166 HydrophobicContact CB-CB 4.05Å; F151-L166 HydrophobicContact CB-CD2 3.7Å; F151-L166 HydrophobicContact CB-CG 4.45Å; S152-L166 WeakPolarHBondContact O-CD2 3.47Å; C153-L166 HydrophobicContact CB-CD1 3.95Å; Y160-L166 HydrophobicContact CD2-CB 4.12Å; Y160-L166 HydrophobicContact CD2-CD1 3.79Å; Y160-L166 HydrophobicContact CE2-CD1 4.26Å; Y160-L166 HydrophobicContact CG-CB 4.2Å; S162-L166 PolarHBondContact O-N 3.19Å; L163-L166 HydrophobicContact CD1-CD2 4.42Å; L166-M168 VanDerWaalsContact C-N 3.31Å; L166-M168 PolarHBondContact O-N 2.86Å; L166-H169 CarbonylContact O-C 3.55Å; L166-H169 WeakPolarHBondContact O-CA 3.41Å; L166-H169 WeakPolarHBondContact O-CB 3.28Å; L166-H169 PolarHBondContact O-N 2.7Å; L166-I170 HydrophobicContact CD1-CD1 3.83Å; L166-I170 HydrophobicContact CD1-CG1 3.87Å; L166-I170 HydrophobicContact CD2-CD1 4.26Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 HydrophobicContact CG-CG1 4.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.32Å
167K77.4Confident73.8Confident129 Ų12974.4 Ų74.456%0.56139%0.394SS*.Hα-helixtrans-60.7-38.9177.5-77.5176.5178.4-178.40112.3L163 G164 H169L163-K167 HydrophobicContact CG-CD 4.4Å; L163-K167 WeakPolarHBondContact O-CB 3.48Å; L163-K167 VanDerWaalsContact O-CG 3.3Å; L163-K167 WeakPolarHBondContact O-CG 3.39Å; L163-K167 PolarHBondContact O-N 3.04Å; G164-K167 PolarHBondContact O-N 2.93Å; K167-H169 VanDerWaalsContact C-N 3.31Å
168M74.1Confident73.8Confident80 Ų8068.8 Ų68.839%0.39437%0.373SS..Hα-helixtrans-65.5-35.4173.5-175.564.167.600111.8G164 A165 L166 R188G164-M168 WeakPolarHBondContact O-CB 3.49Å; G164-M168 PolarHBondContact O-N 3.13Å; A165-M168 PolarHBondContact O-N 3.28Å; L166-M168 VanDerWaalsContact C-N 3.31Å; L166-M168 PolarHBondContact O-N 2.86Å; M168-R188 HydrophobicContact SD-CG 4.46Å
169H79Confident74.2Confident24 Ų2463 Ų6311%0.11135%0.348CS..Hα-helixtrans-75.4-40.7177.8177.152.1000113C153 C156 Y160 A165 L166 K167 R171 T172 H173C153-H169 PolarHBondContact SG-NE2 3.27Å; C153-H169 VanDerWaalsContact SG-NE2 3.44Å; C156-H169 PolarHBondContact SG-NE2 3.36Å; Y160-H169 HydrophobicContact CE1-CB 3.94Å; Y160-H169 HydrophobicContact CE2-CB 3.9Å; Y160-H169 AromaticContact CE2-CD2 3.34Å; Y160-H169 WeakPolarHBondContact CE2-CD2 3.43Å; Y160-H169 AromaticContact CE2-CG 3.69Å; Y160-H169 AromaticContact CZ-CD2 3.47Å; Y160-H169 VanDerWaalsContact CZ-CD2 3.47Å; Y160-H169 AromaticContact CZ-CG 3.37Å; Y160-H169 PolarHBondContact OH-CD2 3.29Å; Y160-H169 PolarHBondContact OH-ND1 2.72Å; A165-H169 WeakPolarHBondContact O-CB 3.38Å; A165-H169 PolarHBondContact O-N 2.96Å; L166-H169 CarbonylContact O-C 3.55Å; L166-H169 WeakPolarHBondContact O-CA 3.41Å; L166-H169 WeakPolarHBondContact O-CB 3.28Å; L166-H169 PolarHBondContact O-N 2.7Å; K167-H169 VanDerWaalsContact C-N 3.31Å; H169-R171 PolarHBondContact O-N 3.19Å; H169-R171 VanDerWaalsContact O-N 3.07Å; H169-T172 PolarHBondContact CE1-OG1 3.39Å; H169-T172 VanDerWaalsContact CE1-OG1 3.27Å; H169-T172 PolarHBondContact ND1-OG1 3.31Å; H169-T172 WeakPolarHBondContact O-CB 3.09Å; H169-T172 PolarHBondContact O-N 2.81Å; H169-T172 PolarHBondContact O-OG1 3.45Å; H169-H173 AromaticContact CD2-NE2 3.91Å; H169-H173 AromaticContact CE1-NE2 3.36Å; H169-H173 PolarHBondContact CE1-NE2 3.33Å; H169-H173 AromaticContact NE2-CD2 3.69Å; H169-H173 AromaticContact NE2-CE1 3.96Å; H169-H173 AromaticContact NE2-NE2 2.94Å; H169-H173 PolarHBondContact NE2-NE2 2.93Å
170I75.3Confident74.2Confident46 Ų4668.4 Ų68.424%0.23637%0.37CS..Hα-helixtrans-55.6-31.7176.5-71167.5000111.3Y155 L166 T172 H173 T174Y155-I170 HydrophobicContact CE2-CG2 4.09Å; L166-I170 HydrophobicContact CD1-CD1 3.83Å; L166-I170 HydrophobicContact CD1-CG1 3.87Å; L166-I170 HydrophobicContact CD2-CD1 4.26Å; L166-I170 HydrophobicContact CG-CD1 3.76Å; L166-I170 HydrophobicContact CG-CG1 4.25Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.32Å; I170-T172 PolarHBondContact O-N 3.26Å; I170-H173 WeakPolarHBondContact O-CB 3.45Å; I170-H173 PolarHBondContact O-N 3.12Å; I170-T174 HydrophobicContact CG2-CG2 4.04Å; I170-T174 PolarHBondContact O-N 3.31Å; I170-T174 PolarHBondContact O-OG1 2.81Å
171R69.9Low74.5Confident107 Ų10771.1 Ų71.140%0.40439%0.387SS..Hα-helixtrans-63.6-15.9173-69.5176.3148.8148.8-4.5115.4H169 H173 L175 P176 S187H169-R171 PolarHBondContact O-N 3.19Å; H169-R171 VanDerWaalsContact O-N 3.07Å; R171-H173 VanDerWaalsContact C-N 3.34Å; R171-L175 PolarHBondContact O-N 3.45Å; R171-P176 HydrophobicContact CG-CG 4.2Å; R171-S187 WeakPolarHBondContact CB-O 3.48Å
172T66Low74.8Confident67 Ų6769 Ų6941%0.41138%0.375SS..Hα-helixtrans-76.8-25169.868.50000112H169 I170H169-T172 PolarHBondContact CE1-OG1 3.39Å; H169-T172 VanDerWaalsContact CE1-OG1 3.27Å; H169-T172 PolarHBondContact ND1-OG1 3.31Å; H169-T172 WeakPolarHBondContact O-CB 3.09Å; H169-T172 PolarHBondContact O-N 2.81Å; H169-T172 PolarHBondContact O-OG1 3.45Å; I170-T172 PolarHBondContact O-N 3.26Å
173H68.4Low74.9Confident74 Ų7468.9 Ų68.934%0.34338%0.383SS..Hα-helixtrans-86.9-38.5174.4-58.5-66.2000111.9C153 Y155 C156 H169 I170 R171C153-H173 PolarHBondContact SG-NE2 3.13Å; Y155-H173 HydrophobicContact CD2-CB 3.95Å; Y155-H173 HydrophobicContact CG-CB 4.01Å; C156-H173 PolarHBondContact SG-NE2 3.31Å; H169-H173 AromaticContact CD2-NE2 3.91Å; H169-H173 AromaticContact CE1-NE2 3.36Å; H169-H173 PolarHBondContact CE1-NE2 3.33Å; H169-H173 AromaticContact NE2-CD2 3.69Å; H169-H173 AromaticContact NE2-CE1 3.96Å; H169-H173 AromaticContact NE2-NE2 2.94Å; H169-H173 PolarHBondContact NE2-NE2 2.93Å; I170-H173 WeakPolarHBondContact O-CB 3.45Å; I170-H173 PolarHBondContact O-N 3.12Å; R171-H173 VanDerWaalsContact C-N 3.34Å
174T66Low75Confident67 Ų6771.4 Ų71.441%0.41139%0.391SS..Hα-helixtrans-93.8-1.6-173.559.80000115.3Y155 I170 P176Y155-T174 HydrophobicContact CE2-CG2 4.4Å; I170-T174 HydrophobicContact CG2-CG2 4.04Å; I170-T174 PolarHBondContact O-N 3.31Å; I170-T174 PolarHBondContact O-OG1 2.81Å; T174-P176 VanDerWaalsContact C-CD 3.44Å; T174-P176 VanDerWaalsContact C-N 3.3Å; T174-P176 WeakPolarHBondContact O-CA 3.29Å; T174-P176 WeakPolarHBondContact O-CD 3.46Å
175L66.7Low75.1Confident71 Ų7171.1 Ų71.137%0.37238%0.383SS..  trans23.456.7-179.9-63.2178.1000115.5R171 C177 A185 F186R171-L175 PolarHBondContact O-N 3.45Å; L175-C177 PolarHBondContact O-N 3.15Å; L175-A185 HydrophobicContact CB-CB 3.79Å; L175-A185 HydrophobicContact CD1-CB 4.11Å; L175-F186 CarbonylContact C-O 3.37Å
176P67.1Low75.2Confident71 Ų7171.3 Ų71.346%0.46138%0.377SS..  trans-75.90.2-160.931.1-37.7000114.3R171 T174R171-P176 HydrophobicContact CG-CG 4.2Å; T174-P176 VanDerWaalsContact C-CD 3.44Å; T174-P176 VanDerWaalsContact C-N 3.3Å; T174-P176 WeakPolarHBondContact O-CA 3.29Å; T174-P176 WeakPolarHBondContact O-CD 3.46Å
177C73.2Confident75.2Confident18 Ų1872 Ų7212%0.12238%0.383CS..EExtended strand (participates in β ladder)trans-111.484.4-176.7-58.50000110L175 F186 L192L175-C177 PolarHBondContact O-N 3.15Å; C177-F186 HydrophobicContact CB-CB 4.3Å; C177-F186 WeakPolarHBondContact CB-O 3.47Å; C177-F186 PolarHBondContact N-O 3.18Å; C177-F186 PolarHBondContact O-N 3.5Å; C177-L192 HydrophobicContact CB-CB 4.04Å; C177-L192 HydrophobicContact CB-CD2 3.83Å
178V76.3Confident75.1Confident79 Ų7970.6 Ų70.648%0.47937%0.374SS..EExtended strand (participates in β ladder)trans-88.5136.5-179.9-173.40000111.6K180 G183 A185V178-K180 PolarHBondContact O-N 3.39Å; V178-G183 WeakPolarHBondContact CG1-O 3.4Å; V178-A185 HydrophobicContact CG2-CB 4.02Å
179C82.8Confident75.2Confident1 Ų170.2 Ų70.21%0.00738%0.378CS..  trans-76.6117.9172.2-173.80000110.8I181 G183 K184 F186 L192C179-I181 PolarHBondContact O-N 2.9Å; C179-G183 VanDerWaalsContact O-CA 3.29Å; C179-G183 WeakPolarHBondContact O-CA 3.37Å; C179-G183 PolarHBondContact O-N 3.48Å; C179-K184 WeakPolarHBondContact CB-O 3.48Å; C179-K184 PolarHBondContact N-O 3.3Å; C179-F186 HydrophobicContact CB-CE2 4.32Å; C179-L192 HydrophobicContact CB-CD1 3.64Å
180K79.9Confident75.3Confident216 Ų21676.1 Ų76.194%0.93940%0.399SS*.THydrogen-bonded Turntrans-66-17.6177.9-64-171.7177-173.50114.3V178V178-K180 PolarHBondContact O-N 3.39Å
181I81.8Confident75.6Confident107 Ų10776.8 Ų76.855%0.54940%0.403SS..THydrogen-bonded Turntrans-85.6-35.1-176.6-56.3172.4000111.7C179 H199C179-I181 PolarHBondContact O-N 2.9Å; I181-H199 HydrophobicContact CD1-CB 3.64Å; I181-H199 HydrophobicContact CG2-CB 4.26Å
182C82.6Confident76.3Confident53 Ų5372.8 Ų72.836%0.35839%0.39SS..THydrogen-bonded Turntrans-138.910.2-173.170.40000115K184 H195 H199C182-K184 PolarHBondContact O-N 3.08Å; C182-H195 PolarHBondContact SG-NE2 3.04Å; C182-H199 PolarHBondContact SG-NE2 3.09Å; C182-H199 VanDerWaalsContact SG-NE2 3.44Å
183G76.9Confident77Confident55 Ų5574.8 Ų74.857%0.56739%0.394SS*.  trans69.5-3.6178.600000116.2V178 C179 A185V178-G183 WeakPolarHBondContact CG1-O 3.4Å; C179-G183 VanDerWaalsContact O-CA 3.29Å; C179-G183 WeakPolarHBondContact O-CA 3.37Å; C179-G183 PolarHBondContact O-N 3.48Å; G183-A185 PolarHBondContact O-N 3.4Å
184K78.3Confident77.7Confident131 Ų13172.4 Ų72.457%0.5739%0.39SS*.  trans-66.4128.6-178-71.3-176.2178.7-178.40111.8C179 C182 F186C179-K184 WeakPolarHBondContact CB-O 3.48Å; C179-K184 PolarHBondContact N-O 3.3Å; C182-K184 PolarHBondContact O-N 3.08Å; K184-F186 HydrophobicContact CB-CE2 3.82Å; K184-F186 HydrophobicContact CB-CZ 4.09Å; K184-F186 WeakPolarHBondContact O-CD2 3.27Å; K184-F186 VanDerWaalsContact O-CE2 3.27Å; K184-F186 WeakPolarHBondContact O-CE2 3.5Å
185A78.8Confident78.6Confident44 Ų4470.5 Ų70.536%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-98.4140.6-177.800000112.3L175 V178 G183L175-A185 HydrophobicContact CB-CB 3.79Å; L175-A185 HydrophobicContact CD1-CB 4.11Å; V178-A185 HydrophobicContact CG2-CB 4.02Å; G183-A185 PolarHBondContact O-N 3.4Å
186F80.4Confident79.4Confident42 Ų4269.3 Ų69.318%0.18437%0.37CS..EExtended strand (participates in β ladder)trans-127.5146.9-176.2-62.2-91.3000111.3L175 C177 C179 K184 R188 L191 L192 H195L175-F186 CarbonylContact C-O 3.37Å; C177-F186 HydrophobicContact CB-CB 4.3Å; C177-F186 WeakPolarHBondContact CB-O 3.47Å; C177-F186 PolarHBondContact N-O 3.18Å; C177-F186 PolarHBondContact O-N 3.5Å; C179-F186 HydrophobicContact CB-CE2 4.32Å; K184-F186 HydrophobicContact CB-CE2 3.82Å; K184-F186 HydrophobicContact CB-CZ 4.09Å; K184-F186 WeakPolarHBondContact O-CD2 3.27Å; K184-F186 VanDerWaalsContact O-CE2 3.27Å; K184-F186 WeakPolarHBondContact O-CE2 3.5Å; F186-R188 VanDerWaalsContact C-N 3.32Å; F186-R188 PolarHBondContact O-N 3.11Å; F186-L191 HydrophobicContact CB-CB 4.22Å; F186-L191 HydrophobicContact CD1-CB 3.92Å; F186-L191 HydrophobicContact CG-CB 4.37Å; F186-L192 HydrophobicContact CB-CB 4.22Å; F186-L192 HydrophobicContact CD2-CB 4.02Å; F186-L192 HydrophobicContact CD2-CD1 3.87Å; F186-L192 HydrophobicContact CE2-CD1 4.12Å; F186-L192 HydrophobicContact CG-CB 4.24Å; F186-H195 HydrophobicContact CE1-CB 3.95Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.29Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.36Å; F186-H195 AromaticContact CE2-CG 3.77Å; F186-H195 HydrophobicContact CZ-CB 3.48Å; F186-H195 VanDerWaalsContact CZ-CB 3.48Å; F186-H195 AromaticContact CZ-CD2 3.29Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.42Å; F186-H195 AromaticContact CZ-CG 3.31Å
187S77.6Confident80.3Confident29 Ų2968.9 Ų68.920%0.20336%0.359CS..SBendtrans-77.8-13.717958.60000114.1R171R171-S187 WeakPolarHBondContact CB-O 3.48Å
188R75.1Confident80.8Confident101 Ų10172.4 Ų72.438%0.38138%0.38SS..SBendtrans-141.7141.2-177.1-58.6-176.4176.5168.8-3.3111.8M168 F186 W190 L191 L192M168-R188 HydrophobicContact SD-CG 4.46Å; F186-R188 VanDerWaalsContact C-N 3.32Å; F186-R188 PolarHBondContact O-N 3.11Å; R188-W190 VanDerWaalsContact C-N 3.31Å; R188-W190 VanDerWaalsContact CD-NE1 3.33Å; R188-W190 PolarHBondContact O-N 3.29Å; R188-L191 HydrophobicContact CB-CD1 4Å; R188-L191 HydrophobicContact CB-CG 4.23Å; R188-L191 HydrophobicContact CG-CD1 4.27Å; R188-L191 WeakPolarHBondContact O-CB 3.47Å; R188-L191 PolarHBondContact O-N 2.94Å; R188-L191 VanDerWaalsContact O-N 3.13Å; R188-L192 PolarHBondContact O-N 3.14Å
189P77.4Confident81.1Confident72 Ų7272.2 Ų72.247%0.46837%0.374SS..Hα-helixtrans-58.3-37.4179.2-25.933.4000114.3L191 L192 Q193P189-L191 VanDerWaalsContact C-N 3.32Å; P189-L191 PolarHBondContact O-N 3.06Å; P189-L192 PolarHBondContact O-N 2.76Å; P189-Q193 WeakPolarHBondContact O-CG 3.49Å; P189-Q193 PolarHBondContact O-N 2.98Å
190W79.8Confident81Confident147 Ų14775.5 Ų75.556%0.55739%0.394SS*.Hα-helixtrans-70.2-27.5179.969-101.4000113.2R188 G194R188-W190 VanDerWaalsContact C-N 3.31Å; R188-W190 VanDerWaalsContact CD-NE1 3.33Å; R188-W190 PolarHBondContact O-N 3.29Å; W190-G194 PolarHBondContact O-N 3.13Å
191L82.4Confident81.1Confident60 Ų6067.4 Ų67.431%0.31437%0.371SS..Hα-helixtrans-69.4-43.6172.2-72.7169.4000110.3F186 R188 P189 G194 H195F186-L191 HydrophobicContact CB-CB 4.22Å; F186-L191 HydrophobicContact CD1-CB 3.92Å; F186-L191 HydrophobicContact CG-CB 4.37Å; R188-L191 HydrophobicContact CB-CD1 4Å; R188-L191 HydrophobicContact CB-CG 4.23Å; R188-L191 HydrophobicContact CG-CD1 4.27Å; R188-L191 WeakPolarHBondContact O-CB 3.47Å; R188-L191 PolarHBondContact O-N 2.94Å; R188-L191 VanDerWaalsContact O-N 3.13Å; P189-L191 VanDerWaalsContact C-N 3.32Å; P189-L191 PolarHBondContact O-N 3.06Å; L191-G194 PolarHBondContact O-N 3.32Å; L191-H195 WeakPolarHBondContact O-CB 3.49Å; L191-H195 PolarHBondContact O-N 3.07Å
192L83.8Confident81.2Confident24 Ų2467.3 Ų67.313%0.12637%0.369CS..Hα-helixtrans-59.8-45.2172.8171.661000111.3C177 C179 F186 R188 P189 H195 I196C177-L192 HydrophobicContact CB-CB 4.04Å; C177-L192 HydrophobicContact CB-CD2 3.83Å; C179-L192 HydrophobicContact CB-CD1 3.64Å; F186-L192 HydrophobicContact CB-CB 4.22Å; F186-L192 HydrophobicContact CD2-CB 4.02Å; F186-L192 HydrophobicContact CD2-CD1 3.87Å; F186-L192 HydrophobicContact CE2-CD1 4.12Å; F186-L192 HydrophobicContact CG-CB 4.24Å; R188-L192 PolarHBondContact O-N 3.14Å; P189-L192 PolarHBondContact O-N 2.76Å; L192-H195 CarbonylContact O-C 3.57Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.77Å; L192-H195 VanDerWaalsContact O-N 3.13Å; L192-I196 HydrophobicContact CD1-CD1 4.06Å; L192-I196 HydrophobicContact CD1-CG1 4.11Å; L192-I196 HydrophobicContact CG-CD1 3.96Å; L192-I196 HydrophobicContact CG-CG1 4.47Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 2.82Å
193Q81.9Confident81.3Confident109 Ų10971 Ų7151%0.50938%0.379SS..Hα-helixtrans-63.5-42.5177.2-73.6-66.5-12.100112.6P189 H195 I196 R197P189-Q193 WeakPolarHBondContact O-CG 3.49Å; P189-Q193 PolarHBondContact O-N 2.98Å; Q193-H195 PolarHBondContact O-N 3.16Å; Q193-I196 PolarHBondContact O-N 3.14Å; Q193-R197 PolarHBondContact O-N 3.3Å
194G83.1Confident81.6Confident24 Ų2471.8 Ų71.825%0.24737%0.374CS..Hα-helixtrans-61.5-33.117200000113.1W190 L191W190-G194 PolarHBondContact O-N 3.13Å; L191-G194 PolarHBondContact O-N 3.32Å
195H85Confident82Confident26 Ų2667.2 Ų67.212%0.1235%0.354CS..Hα-helixtrans-75-35.9173.917551.1000113.6C182 F186 L191 L192 Q193 R197 T198 H199C182-H195 PolarHBondContact SG-NE2 3.04Å; F186-H195 HydrophobicContact CE1-CB 3.95Å; F186-H195 HydrophobicContact CE2-CB 3.97Å; F186-H195 AromaticContact CE2-CD2 3.29Å; F186-H195 WeakPolarHBondContact CE2-CD2 3.36Å; F186-H195 AromaticContact CE2-CG 3.77Å; F186-H195 HydrophobicContact CZ-CB 3.48Å; F186-H195 VanDerWaalsContact CZ-CB 3.48Å; F186-H195 AromaticContact CZ-CD2 3.29Å; F186-H195 WeakPolarHBondContact CZ-CD2 3.42Å; F186-H195 AromaticContact CZ-CG 3.31Å; L191-H195 WeakPolarHBondContact O-CB 3.49Å; L191-H195 PolarHBondContact O-N 3.07Å; L192-H195 CarbonylContact O-C 3.57Å; L192-H195 WeakPolarHBondContact O-CB 3.46Å; L192-H195 PolarHBondContact O-N 2.77Å; L192-H195 VanDerWaalsContact O-N 3.13Å; Q193-H195 PolarHBondContact O-N 3.16Å; H195-R197 PolarHBondContact O-N 3.48Å; H195-T198 PolarHBondContact CE1-OG1 2.87Å; H195-T198 PolarHBondContact ND1-OG1 3.12Å; H195-T198 VanDerWaalsContact ND1-OG1 3.09Å; H195-T198 WeakPolarHBondContact O-CB 3.4Å; H195-T198 PolarHBondContact O-N 3.14Å; H195-T198 PolarHBondContact O-OG1 3.45Å; H195-H199 AromaticContact CD2-NE2 3.91Å; H195-H199 AromaticContact CE1-CE1 3.94Å; H195-H199 AromaticContact CE1-NE2 3.27Å; H195-H199 PolarHBondContact CE1-NE2 3.23Å; H195-H199 VanDerWaalsContact CE1-NE2 3.27Å; H195-H199 AromaticContact NE2-CD2 3.87Å; H195-H199 AromaticContact NE2-CE1 3.96Å; H195-H199 AromaticContact NE2-NE2 3.03Å; H195-H199 PolarHBondContact NE2-NE2 3.15Å
196I84.2Confident82.5Confident46 Ų4669 Ų6924%0.23636%0.364CS..Hα-helixtrans-57.8-36.4177.1-72.8164000110.7L192 Q193 T198 H199 T200L192-I196 HydrophobicContact CD1-CD1 4.06Å; L192-I196 HydrophobicContact CD1-CG1 4.11Å; L192-I196 HydrophobicContact CG-CD1 3.96Å; L192-I196 HydrophobicContact CG-CG1 4.47Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 2.82Å; Q193-I196 PolarHBondContact O-N 3.14Å; I196-T198 PolarHBondContact O-N 2.65Å; I196-T198 VanDerWaalsContact O-N 3.15Å; I196-H199 WeakPolarHBondContact O-CA 3.01Å; I196-H199 WeakPolarHBondContact O-CB 3.45Å; I196-H199 PolarHBondContact O-N 3.41Å; I196-T200 HydrophobicContact CG2-CG2 4.23Å; I196-T200 PolarHBondContact O-N 3.37Å; I196-T200 VanDerWaalsContact O-N 3.07Å
197R85.4Confident82.9Confident62 Ų6267.4 Ų67.423%0.23436%0.358CS..Hα-helixtrans-60.6-20.1172.8-63.3-179.1-174.1140.27.8115Q193 H195 H199 G201 E202 A215Q193-R197 PolarHBondContact O-N 3.3Å; H195-R197 PolarHBondContact O-N 3.48Å; R197-H199 VanDerWaalsContact C-N 3.28Å; R197-G201 WeakPolarHBondContact O-CA 3.38Å; R197-G201 PolarHBondContact O-N 3.45Å; R197-E202 HydrophobicContact CB-CB 4.32Å; R197-E202 HydrophobicContact CG-CB 4.07Å; R197-A215 HydrophobicContact CB-CB 3.86Å; R197-A215 VanDerWaalsContact CD-O 3.28Å; R197-A215 WeakPolarHBondContact CD-O 3.47Å; R197-A215 PolarHBondContact NH1-O 2.93Å
198T83.5Confident83.4Confident93 Ų9370.9 Ų70.957%0.57138%0.38SS*.Hα-helixtrans-75.9-19172.369.70000112.8H195 I196H195-T198 PolarHBondContact CE1-OG1 2.87Å; H195-T198 PolarHBondContact ND1-OG1 3.12Å; H195-T198 VanDerWaalsContact ND1-OG1 3.09Å; H195-T198 WeakPolarHBondContact O-CB 3.4Å; H195-T198 PolarHBondContact O-N 3.14Å; H195-T198 PolarHBondContact O-OG1 3.45Å; I196-T198 PolarHBondContact O-N 2.65Å; I196-T198 VanDerWaalsContact O-N 3.15Å
199H81.9Confident83.9Confident74 Ų7472.3 Ų72.334%0.34339%0.39SS..Hα-helixtrans-91.8-41.9173-59.3-67.8000111.9I181 C182 H195 I196 R197 G201I181-H199 HydrophobicContact CD1-CB 3.64Å; I181-H199 HydrophobicContact CG2-CB 4.26Å; C182-H199 PolarHBondContact SG-NE2 3.09Å; C182-H199 VanDerWaalsContact SG-NE2 3.44Å; H195-H199 AromaticContact CD2-NE2 3.91Å; H195-H199 AromaticContact CE1-CE1 3.94Å; H195-H199 AromaticContact CE1-NE2 3.27Å; H195-H199 PolarHBondContact CE1-NE2 3.23Å; H195-H199 VanDerWaalsContact CE1-NE2 3.27Å; H195-H199 AromaticContact NE2-CD2 3.87Å; H195-H199 AromaticContact NE2-CE1 3.96Å; H195-H199 AromaticContact NE2-NE2 3.03Å; H195-H199 PolarHBondContact NE2-NE2 3.15Å; I196-H199 WeakPolarHBondContact O-CA 3.01Å; I196-H199 WeakPolarHBondContact O-CB 3.45Å; I196-H199 PolarHBondContact O-N 3.41Å; R197-H199 VanDerWaalsContact C-N 3.28Å; H199-G201 VanDerWaalsContact C-N 3.32Å
200T82.2Confident84.5Confident71 Ų7170.8 Ų70.844%0.43638%0.381SS..Hα-helixtrans-79.6-13.5179.264.90000113.7I196 E202I196-T200 HydrophobicContact CG2-CG2 4.23Å; I196-T200 PolarHBondContact O-N 3.37Å; I196-T200 VanDerWaalsContact O-N 3.07Å; T200-E202 PolarHBondContact O-N 3.35Å; T200-E202 WeakPolarHBondContact OG1-CG 3.43Å; T200-E202 PolarHBondContact OG1-OE1 3.33Å; T200-E202 VanDerWaalsContact OG1-OE1 3.04Å
201G81.8Confident84.8Confident45 Ų4570 Ų7046%0.46440%0.398SS..  trans74.20.7-177.200000114.5R197 H199 K203R197-G201 WeakPolarHBondContact O-CA 3.38Å; R197-G201 PolarHBondContact O-N 3.45Å; H199-G201 VanDerWaalsContact C-N 3.32Å; G201-K203 WeakPolarHBondContact O-CG 3.47Å; G201-K203 PolarHBondContact O-N 2.84Å
202E82.7Confident85Confident105 Ų10574.7 Ų74.749%0.49141%0.411SS..  trans-57.6126.5-178.8-80.6169.6-133.400113R197 T200 P204R197-E202 HydrophobicContact CB-CB 4.32Å; R197-E202 HydrophobicContact CG-CB 4.07Å; T200-E202 PolarHBondContact O-N 3.35Å; T200-E202 WeakPolarHBondContact OG1-CG 3.43Å; T200-E202 PolarHBondContact OG1-OE1 3.33Å; T200-E202 VanDerWaalsContact OG1-OE1 3.04Å; E202-P204 VanDerWaalsContact C-CD 3.47Å; E202-P204 WeakPolarHBondContact O-CD 3.4Å
203K84.4Confident85.2Confident132 Ų13275.2 Ų75.257%0.57442%0.419SS*.  trans-125.869.7-178.9-72.6159.5-179.3173.60110.8G201 F205 A213 F214G201-K203 WeakPolarHBondContact O-CG 3.47Å; G201-K203 PolarHBondContact O-N 2.84Å; K203-F205 PolarHBondContact O-N 3.32Å; K203-F205 VanDerWaalsContact O-N 3.08Å; K203-A213 HydrophobicContact CB-CB 3.63Å; K203-A213 WeakPolarHBondContact CD-O 3.48Å; K203-F214 CarbonylContact C-O 3.55Å; K203-F214 WeakPolarHBondContact CA-O 3.26Å
204P84.4Confident85.3Confident71 Ų7172.1 Ų72.146%0.46140%0.404SS..  trans-69.3-3.9-175.229-36.5000114.6E202E202-P204 VanDerWaalsContact C-CD 3.47Å; E202-P204 WeakPolarHBondContact O-CD 3.4Å
205F86.6Confident85.4Confident34 Ų3472 Ų7215%0.14940%0.401CS..EExtended strand (participates in β ladder)trans-115.288.5-178.6-53.4-59.3000110.8K203 A213 F214 D216 R217 L220K203-F205 PolarHBondContact O-N 3.32Å; K203-F205 VanDerWaalsContact O-N 3.08Å; F205-A213 CarbonylContact O-C 3.54Å; F205-A213 WeakPolarHBondContact O-CA 3.25Å; F205-F214 WeakPolarHBondContact CB-O 3.43Å; F205-F214 PolarHBondContact N-O 3.39Å; F205-F214 VanDerWaalsContact N-O 3.14Å; F205-F214 PolarHBondContact O-N 3.27Å; F205-D216 VanDerWaalsContact CD2-C 3.45Å; F205-R217 HydrophobicContact CD1-CG 3.8Å; F205-R217 HydrophobicContact CD2-CG 4.04Å; F205-R217 HydrophobicContact CE1-CG 3.53Å; F205-R217 HydrophobicContact CE2-CG 3.76Å; F205-R217 HydrophobicContact CG-CG 4.06Å; F205-R217 HydrophobicContact CZ-CG 3.51Å; F205-L220 HydrophobicContact CB-CB 4.16Å; F205-L220 HydrophobicContact CB-CD2 3.84Å
206S88.6Confident85.3Confident82 Ų8273.1 Ų73.157%0.57341%0.408SS*.EExtended strand (participates in β ladder)trans-73.3152.7172.448.10000112.3L220S206-L220 WeakPolarHBondContact O-CD2 3.38Å
207C89.8Confident85.3Confident8 Ų879.5 Ų79.55%0.05443%0.429CS..  trans-82.6136.2166-172.40000109.7H209 C210 R212 L220 H223 H227C207-H209 VanDerWaalsContact C-N 3.27Å; C207-H209 PolarHBondContact O-N 2.78Å; C207-H209 PolarHBondContact SG-N 3.09Å; C207-C210 WeakPolarHBondContact CB-O 3.47Å; C207-R212 WeakPolarHBondContact CB-O 3.44Å; C207-R212 PolarHBondContact N-O 3.32Å; C207-L220 HydrophobicContact CB-CD1 4.16Å; C207-H223 PolarHBondContact SG-NE2 2.99Å; C207-H227 PolarHBondContact SG-NE2 2.7Å
208P87.4Confident85.3Confident103 Ų10379.9 Ų79.967%0.66944%0.441SS*.SBendtrans-75.1-15.4173.731.1-34.8000113.1L224P208-L224 HydrophobicContact CG-CD2 4.34Å
209H86.6Confident85.4Confident130 Ų13079.2 Ų79.260%0.60243%0.434SS*.SBendtrans-103.2-8.3-176.5-55.4-61.2000113.9C207 H227C207-H209 VanDerWaalsContact C-N 3.27Å; C207-H209 PolarHBondContact O-N 2.78Å; C207-H209 PolarHBondContact SG-N 3.09Å; H209-H227 PolarHBondContact O-CE1 3.08Å
210C88.9Confident85.7Confident40 Ų4077 Ų7727%0.2743%0.425SS..SBendtrans-161.5166.5173.868.20000112.1C207 R212 H223 H227C207-C210 WeakPolarHBondContact CB-O 3.47Å; C210-R212 PolarHBondContact O-N 2.8Å; C210-H223 PolarHBondContact SG-NE2 3.21Å; C210-H223 VanDerWaalsContact SG-NE2 3.35Å; C210-H227 WeakPolarHBondContact CB-CE1 3.43Å; C210-H227 PolarHBondContact SG-CE1 3.4Å; C210-H227 PolarHBondContact SG-NE2 3.35Å
211S87.2Confident85.9Confident130 Ų13082.6 Ų82.691%0.90944%0.438SS*.SBendtrans-67.98.2-178.555.30000115.9
212R85.4Confident86Confident160 Ų16081 Ų8160%0.60442%0.42SS*.  trans-79.2133.8178.1-77.4-177.4161.2161.6-3.2111.6C207 C210 F214C207-R212 WeakPolarHBondContact CB-O 3.44Å; C207-R212 PolarHBondContact N-O 3.32Å; C210-R212 PolarHBondContact O-N 2.8Å; R212-F214 HydrophobicContact CB-CE2 3.87Å; R212-F214 HydrophobicContact CB-CZ 3.98Å
213A87.4Confident86.2Confident35 Ų3576.8 Ų76.829%0.28940%0.401SS..EExtended strand (participates in β ladder)trans-126.4150.9174.100000112.2K203 F205K203-A213 HydrophobicContact CB-CB 3.63Å; K203-A213 WeakPolarHBondContact CD-O 3.48Å; F205-A213 CarbonylContact O-C 3.54Å; F205-A213 WeakPolarHBondContact O-CA 3.25Å
214F85.1Confident86.2Confident43 Ų4373 Ų7319%0.18939%0.387CS..EExtended strand (participates in β ladder)trans-129.7148-169-57.8-92000111.8K203 F205 R212 N219 L220 H223K203-F214 CarbonylContact C-O 3.55Å; K203-F214 WeakPolarHBondContact CA-O 3.26Å; F205-F214 WeakPolarHBondContact CB-O 3.43Å; F205-F214 PolarHBondContact N-O 3.39Å; F205-F214 VanDerWaalsContact N-O 3.14Å; F205-F214 PolarHBondContact O-N 3.27Å; R212-F214 HydrophobicContact CB-CE2 3.87Å; R212-F214 HydrophobicContact CB-CZ 3.98Å; F214-N219 HydrophobicContact CB-CB 4.38Å; F214-N219 HydrophobicContact CD1-CB 4.02Å; F214-N219 HydrophobicContact CG-CB 4.48Å; F214-L220 HydrophobicContact CB-CB 4.39Å; F214-L220 HydrophobicContact CD2-CB 4.12Å; F214-L220 HydrophobicContact CD2-CD1 3.93Å; F214-L220 HydrophobicContact CE2-CD1 4.17Å; F214-L220 HydrophobicContact CG-CB 4.4Å; F214-H223 HydrophobicContact CE1-CB 4.07Å; F214-H223 HydrophobicContact CE2-CB 4Å; F214-H223 AromaticContact CE2-CD2 3.25Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.44Å; F214-H223 AromaticContact CE2-CG 3.79Å; F214-H223 HydrophobicContact CZ-CB 3.54Å; F214-H223 AromaticContact CZ-CD2 3.32Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.32Å; F214-H223 AromaticContact CZ-CG 3.4Å
215A83.9Confident86.1Confident23 Ų2373.4 Ų73.419%0.1938%0.382CS..SBendtrans-76.4-19.5176.500000113.8R197R197-A215 HydrophobicContact CB-CB 3.86Å; R197-A215 VanDerWaalsContact CD-O 3.28Å; R197-A215 WeakPolarHBondContact CD-O 3.47Å; R197-A215 PolarHBondContact NH1-O 2.93Å
216D83.4Confident85.8Confident49 Ų4975.3 Ų75.326%0.26240%0.396SS..SBendtrans-135.2145.3-178.6-179.838.5000113F205 S218 N219 L220F205-D216 VanDerWaalsContact CD2-C 3.45Å; D216-S218 VanDerWaalsContact C-N 3.32Å; D216-S218 PolarHBondContact O-N 3.39Å; D216-S218 WeakPolarHBondContact OD2-CB 3.25Å; D216-S218 PolarHBondContact OD2-N 2.93Å; D216-S218 VanDerWaalsContact OD2-N 3.14Å; D216-S218 PolarHBondContact OD2-OG 2.83Å; D216-N219 PolarHBondContact O-N 3.45Å; D216-L220 PolarHBondContact O-N 3.02Å; D216-L220 VanDerWaalsContact O-N 3.12Å
217R85.3Confident85.5Confident179 Ų17975.2 Ų75.268%0.67539%0.387SS*.Hα-helixtrans-64.3-33.6177.8-69.8-174.3173.6138.8-3.3112.5F205 N219 L220 R221F205-R217 HydrophobicContact CD1-CG 3.8Å; F205-R217 HydrophobicContact CD2-CG 4.04Å; F205-R217 HydrophobicContact CE1-CG 3.53Å; F205-R217 HydrophobicContact CE2-CG 3.76Å; F205-R217 HydrophobicContact CG-CG 4.06Å; F205-R217 HydrophobicContact CZ-CG 3.51Å; R217-N219 VanDerWaalsContact C-N 3.29Å; R217-N219 PolarHBondContact O-N 2.85Å; R217-L220 PolarHBondContact O-N 2.95Å; R217-R221 WeakPolarHBondContact O-CB 3.37Å; R217-R221 PolarHBondContact O-N 2.74Å
218S84.7Confident84.6Confident71 Ų7178.4 Ų78.450%0.49741%0.409SS..Hα-helixtrans-64.5-39.7178.5-34.40000110.7D216 A222D216-S218 VanDerWaalsContact C-N 3.32Å; D216-S218 PolarHBondContact O-N 3.39Å; D216-S218 WeakPolarHBondContact OD2-CB 3.25Å; D216-S218 PolarHBondContact OD2-N 2.93Å; D216-S218 VanDerWaalsContact OD2-N 3.14Å; D216-S218 PolarHBondContact OD2-OG 2.83Å; S218-A222 WeakPolarHBondContact O-CB 3.48Å; S218-A222 PolarHBondContact O-N 3.48Å
219N85.2Confident83.6Confident79 Ų7979.5 Ų79.542%0.42241%0.41SS..Hα-helixtrans-69.9-42.1176.2-72.5-21.1000112F214 D216 R217 A222 H223F214-N219 HydrophobicContact CB-CB 4.38Å; F214-N219 HydrophobicContact CD1-CB 4.02Å; F214-N219 HydrophobicContact CG-CB 4.48Å; D216-N219 PolarHBondContact O-N 3.45Å; R217-N219 VanDerWaalsContact C-N 3.29Å; R217-N219 PolarHBondContact O-N 2.85Å; N219-A222 PolarHBondContact O-N 3.29Å; N219-H223 WeakPolarHBondContact O-CB 3.42Å; N219-H223 PolarHBondContact O-N 3.48Å
220L88.1Confident82.7Confident28 Ų2877 Ų7715%0.14740%0.404CS..Hα-helixtrans-58.5-50.8171.4173.961.6000111.1F205 S206 C207 F214 D216 R217 A222 H223 L224F205-L220 HydrophobicContact CB-CB 4.16Å; F205-L220 HydrophobicContact CB-CD2 3.84Å; S206-L220 WeakPolarHBondContact O-CD2 3.38Å; C207-L220 HydrophobicContact CB-CD1 4.16Å; F214-L220 HydrophobicContact CB-CB 4.39Å; F214-L220 HydrophobicContact CD2-CB 4.12Å; F214-L220 HydrophobicContact CD2-CD1 3.93Å; F214-L220 HydrophobicContact CE2-CD1 4.17Å; F214-L220 HydrophobicContact CG-CB 4.4Å; D216-L220 PolarHBondContact O-N 3.02Å; D216-L220 VanDerWaalsContact O-N 3.12Å; R217-L220 PolarHBondContact O-N 2.95Å; L220-A222 VanDerWaalsContact C-N 3.29Å; L220-A222 PolarHBondContact O-N 2.9Å; L220-H223 CarbonylContact O-C 3.52Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.15Å; L220-L224 HydrophobicContact CD1-CD1 4.46Å; L220-L224 HydrophobicContact CD1-CD2 4.3Å; L220-L224 HydrophobicContact CD1-CG 4.13Å; L220-L224 HydrophobicContact CG-CD1 4.26Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.84Å
221R86.9Confident81.8Confident188 Ų18880.7 Ų80.771%0.70942%0.415SS*.Hα-helixtrans-56.5-42.6179.3176.3177.7-76.5161-5.9112.2R217 H223 L224 Q225R217-R221 WeakPolarHBondContact O-CB 3.37Å; R217-R221 PolarHBondContact O-N 2.74Å; R221-H223 VanDerWaalsContact C-N 3.31Å; R221-L224 PolarHBondContact O-N 3.3Å; R221-Q225 PolarHBondContact O-N 3.35Å
222A83.6Confident81.2Confident11 Ų1181.9 Ų81.99%0.09140%0.404CS..Hα-helixtrans-75.5-19.6178.700000113.4S218 N219 L220 R244S218-A222 WeakPolarHBondContact O-CB 3.48Å; S218-A222 PolarHBondContact O-N 3.48Å; N219-A222 PolarHBondContact O-N 3.29Å; L220-A222 VanDerWaalsContact C-N 3.29Å; L220-A222 PolarHBondContact O-N 2.9Å; A222-R244 VanDerWaalsContact CB-CZ 3.44Å; A222-R244 VanDerWaalsContact CB-NH1 3.28Å
223H86.3Confident80.9Confident16 Ų1678.3 Ų78.37%0.07439%0.391CS..Hα-helixtrans-78.4-37.9167.1169.446.5000112.1C207 C210 F214 N219 L220 R221 Q225 T226 H227C207-H223 PolarHBondContact SG-NE2 2.99Å; C210-H223 PolarHBondContact SG-NE2 3.21Å; C210-H223 VanDerWaalsContact SG-NE2 3.35Å; F214-H223 HydrophobicContact CE1-CB 4.07Å; F214-H223 HydrophobicContact CE2-CB 4Å; F214-H223 AromaticContact CE2-CD2 3.25Å; F214-H223 WeakPolarHBondContact CE2-CD2 3.44Å; F214-H223 AromaticContact CE2-CG 3.79Å; F214-H223 HydrophobicContact CZ-CB 3.54Å; F214-H223 AromaticContact CZ-CD2 3.32Å; F214-H223 WeakPolarHBondContact CZ-CD2 3.32Å; F214-H223 AromaticContact CZ-CG 3.4Å; N219-H223 WeakPolarHBondContact O-CB 3.42Å; N219-H223 PolarHBondContact O-N 3.48Å; L220-H223 CarbonylContact O-C 3.52Å; L220-H223 WeakPolarHBondContact O-CA 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.44Å; L220-H223 PolarHBondContact O-N 3.15Å; R221-H223 VanDerWaalsContact C-N 3.31Å; H223-Q225 PolarHBondContact O-N 3.28Å; H223-Q225 VanDerWaalsContact O-N 3.16Å; H223-T226 PolarHBondContact ND1-OG1 2.76Å; H223-T226 VanDerWaalsContact ND1-OG1 3.14Å; H223-T226 WeakPolarHBondContact O-CB 3.41Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 PolarHBondContact O-OG1 2.45Å; H223-H227 AromaticContact CD2-NE2 3.55Å; H223-H227 AromaticContact CE1-CD2 3.72Å; H223-H227 AromaticContact CE1-NE2 2.8Å; H223-H227 PolarHBondContact CE1-NE2 2.95Å; H223-H227 AromaticContact ND1-NE2 3.93Å; H223-H227 AromaticContact NE2-CD2 3.79Å; H223-H227 AromaticContact NE2-NE2 2.45Å; H223-H227 PolarHBondContact NE2-NE2 3.39Å
224L85.5Confident80.7Confident54 Ų5482.3 Ų82.328%0.28340%0.403SS..Hα-helixtrans-56.7-33.3176-68172.7000111.9P208 L220 R221 T226 H227 S228P208-L224 HydrophobicContact CG-CD2 4.34Å; L220-L224 HydrophobicContact CD1-CD1 4.46Å; L220-L224 HydrophobicContact CD1-CD2 4.3Å; L220-L224 HydrophobicContact CD1-CG 4.13Å; L220-L224 HydrophobicContact CG-CD1 4.26Å; L220-L224 HydrophobicContact CG-CG 4.37Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.84Å; R221-L224 PolarHBondContact O-N 3.3Å; L224-T226 PolarHBondContact O-N 2.8Å; L224-T226 VanDerWaalsContact O-N 3.14Å; L224-H227 PolarHBondContact O-N 3.14Å; L224-S228 PolarHBondContact O-N 2.84Å; L224-S228 PolarHBondContact O-OG 3.01Å
225Q82.6Confident80.6Confident79 Ų7980.4 Ų80.437%0.36940%0.396SS..THydrogen-bonded Turntrans-59.8-19.5172.1-67.4173.4-13.400114.4R221 H223R221-Q225 PolarHBondContact O-N 3.35Å; H223-Q225 PolarHBondContact O-N 3.28Å; H223-Q225 VanDerWaalsContact O-N 3.16Å
226T81Confident80.4Confident73 Ų7388.6 Ų88.645%0.44843%0.427SS..THydrogen-bonded Turntrans-83-14.4173.874.10000113.3H223 L224H223-T226 PolarHBondContact ND1-OG1 2.76Å; H223-T226 VanDerWaalsContact ND1-OG1 3.14Å; H223-T226 WeakPolarHBondContact O-CB 3.41Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 PolarHBondContact O-OG1 2.45Å; L224-T226 PolarHBondContact O-N 2.8Å; L224-T226 VanDerWaalsContact O-N 3.14Å
227H81.3Confident80.2Confident80 Ų8091.3 Ų91.337%0.3744%0.441SS..THydrogen-bonded Turntrans-91-17.7172-69.6-75.8000112.5C207 H209 C210 H223 L224C207-H227 PolarHBondContact SG-NE2 2.7Å; H209-H227 PolarHBondContact O-CE1 3.08Å; C210-H227 WeakPolarHBondContact CB-CE1 3.43Å; C210-H227 PolarHBondContact SG-CE1 3.4Å; C210-H227 PolarHBondContact SG-NE2 3.35Å; H223-H227 AromaticContact CD2-NE2 3.55Å; H223-H227 AromaticContact CE1-CD2 3.72Å; H223-H227 AromaticContact CE1-NE2 2.8Å; H223-H227 PolarHBondContact CE1-NE2 2.95Å; H223-H227 AromaticContact ND1-NE2 3.93Å; H223-H227 AromaticContact NE2-CD2 3.79Å; H223-H227 AromaticContact NE2-NE2 2.45Å; H223-H227 PolarHBondContact NE2-NE2 3.39Å; L224-H227 PolarHBondContact O-N 3.14Å
228S71Confident80Confident75 Ų7584.3 Ų84.352%0.52442%0.42SS..SBendtrans-95.80.3-175.3-45.80000114.5L224 V230L224-S228 PolarHBondContact O-N 2.84Å; L224-S228 PolarHBondContact O-OG 3.01Å; S228-V230 WeakPolarHBondContact O-CG2 3.46Å; S228-V230 PolarHBondContact O-N 2.97Å
229D66.7Low79.7Confident127 Ų12786.1 Ų86.168%0.67943%0.432SS*.  trans50.64.8-175.2-79.3-46.7000118.1K231D229-K231 VanDerWaalsContact C-N 3.33Å; D229-K231 PolarHBondContact O-N 3.14Å
230V68Low79.4Confident78 Ų7887.2 Ų87.247%0.47343%0.433SS..  trans-74.580.9-176.2-155.80000111.7S228 K232S228-V230 WeakPolarHBondContact O-CG2 3.46Å; S228-V230 PolarHBondContact O-N 2.97Å; V230-K232 VanDerWaalsContact C-N 3.34Å; V230-K232 HydrophobicContact CB-CG 4.47Å; V230-K232 HydrophobicContact CG1-CD 4.25Å; V230-K232 VanDerWaalsContact CG1-CE 3.46Å; V230-K232 HydrophobicContact CG1-CG 3.67Å; V230-K232 PolarHBondContact O-N 3.21Å
231K69.1Low79.1Confident117 Ų11788.8 Ų88.851%0.50944%0.444SS..  trans-7779174.9-62.3175-172.4171.60111D229 Y233 T241 F242D229-K231 VanDerWaalsContact C-N 3.33Å; D229-K231 PolarHBondContact O-N 3.14Å; K231-Y233 VanDerWaalsContact C-N 3.33Å; K231-Y233 PolarHBondContact O-N 3.38Å; K231-T241 WeakPolarHBondContact CD-OG1 3.28Å; K231-F242 CarbonylContact C-O 3.48Å; K231-F242 WeakPolarHBondContact CA-O 3.4Å
232K75.1Confident78.8Confident154 Ų15481.7 Ų81.767%0.6742%0.418SS*.  trans-72.6-16.9-175.4-61.5-169.9179.1-169.80115.4V230 F242V230-K232 VanDerWaalsContact C-N 3.34Å; V230-K232 HydrophobicContact CB-CG 4.47Å; V230-K232 HydrophobicContact CG1-CD 4.25Å; V230-K232 VanDerWaalsContact CG1-CE 3.46Å; V230-K232 HydrophobicContact CG1-CG 3.67Å; V230-K232 PolarHBondContact O-N 3.21Å; K232-F242 PolarHBondContact N-O 3.03Å
233Y79.3Confident78.7Confident85 Ų8582.3 Ų82.333%0.33342%0.422SS..EExtended strand (participates in β ladder)trans-115100.9-168.4-56.5-79.2000110.6K231 F242 M245K231-Y233 VanDerWaalsContact C-N 3.33Å; K231-Y233 PolarHBondContact O-N 3.38Å; Y233-F242 PolarHBondContact N-O 2.98Å; Y233-F242 PolarHBondContact O-N 3.12Å; Y233-M245 HydrophobicContact CD1-CB 4.02Å; Y233-M245 HydrophobicContact CD1-CG 4.32Å; Y233-M245 HydrophobicContact CE1-CB 3.88Å; Y233-M245 HydrophobicContact CE1-CG 4.32Å; Y233-M245 HydrophobicContact CE1-SD 4.38Å; Y233-M245 HydrophobicContact CE2-CB 4.47Å; Y233-M245 HydrophobicContact CG-CB 4.39Å
234Q82.1Confident78.3Confident119 Ų11985.6 Ų85.656%0.55643%0.433SS*.EExtended strand (participates in β ladder)trans-92.2140.2175.6-168.51749.200110.4T241Q234-T241 HydrophobicContact CB-CG2 3.98Å; Q234-T241 HydrophobicContact CG-CG2 3.82Å
235C83.2Confident78.2Confident4 Ų489 Ų893%0.02745%0.449CS..  trans-71140.6167.9-175.60000110N237 C238 K240 F242 L248C235-N237 VanDerWaalsContact C-N 3.33Å; C235-N237 PolarHBondContact SG-N 2.83Å; C235-C238 CarbonylContact C-O 3.56Å; C235-C238 WeakPolarHBondContact CB-O 3.25Å; C235-K240 PolarHBondContact N-O 3.46Å; C235-F242 HydrophobicContact CB-CE2 4.43Å; C235-L248 HydrophobicContact CB-CD1 3.56Å
236K80.3Confident78.3Confident195 Ų19588.2 Ų88.285%0.84845%0.453SS*.SBendtrans-74.9-27.4178-66.2-178-179.91790112.5
237N80Confident78.4Confident106 Ų10688.5 Ų88.557%0.56745%0.451SS*.SBendtrans-98.7-9.3-173.7-61.370.4000113.3C235 C257C235-N237 VanDerWaalsContact C-N 3.33Å; C235-N237 PolarHBondContact SG-N 2.83Å; N237-C257 HydrophobicContact CB-CB 3.56Å
238C80.4Confident78.6Confident32 Ų3285.5 Ų85.522%0.21644%0.438CS..SBendtrans-150.8153.8166.278.60000111.2C235 K240 H251C235-C238 CarbonylContact C-O 3.56Å; C235-C238 WeakPolarHBondContact CB-O 3.25Å; C238-K240 PolarHBondContact O-N 3.16Å; C238-K240 VanDerWaalsContact SG-CG 3.55Å; C238-H251 PolarHBondContact SG-NE2 3.36Å
239S77.9Confident79.3Confident108 Ų10887 Ų8776%0.75544%0.436SS*.SBendtrans-69.614.7-176-49.40000115.5
240K80Confident80.1Confident103 Ų10387.8 Ų87.845%0.44843%0.434SS..  trans-74.6132.6178.1-66.3176-174.7168.30110.6C235 C238 F242 C256C235-K240 PolarHBondContact N-O 3.46Å; C238-K240 PolarHBondContact O-N 3.16Å; C238-K240 VanDerWaalsContact SG-CG 3.55Å; K240-F242 HydrophobicContact CB-CE2 3.89Å; K240-F242 HydrophobicContact CB-CZ 3.97Å; K240-C256 PolarHBondContact NZ-SG 3.4Å; K240-C256 VanDerWaalsContact NZ-SG 3.43Å
241T81.2Confident80.9Confident60 Ų6085 Ų8537%0.36842%0.415SS..EExtended strand (participates in β ladder)trans-114.3138.8179.656.30000111.4K231 Q234K231-T241 WeakPolarHBondContact CD-OG1 3.28Å; Q234-T241 HydrophobicContact CB-CG2 3.98Å; Q234-T241 HydrophobicContact CG-CG2 3.82Å
242F81Confident81.5Confident40 Ų4083.4 Ų83.418%0.17541%0.41CS..EExtended strand (participates in β ladder)trans-124.6146.4-173.5-58.2-87.6000110.5K231 K232 Y233 C235 K240 R244 L247 L248 H251K231-F242 CarbonylContact C-O 3.48Å; K231-F242 WeakPolarHBondContact CA-O 3.4Å; K232-F242 PolarHBondContact N-O 3.03Å; Y233-F242 PolarHBondContact N-O 2.98Å; Y233-F242 PolarHBondContact O-N 3.12Å; C235-F242 HydrophobicContact CB-CE2 4.43Å; K240-F242 HydrophobicContact CB-CE2 3.89Å; K240-F242 HydrophobicContact CB-CZ 3.97Å; F242-R244 VanDerWaalsContact C-N 3.34Å; F242-L247 HydrophobicContact CB-CB 4.36Å; F242-L247 HydrophobicContact CD1-CB 3.92Å; F242-L247 HydrophobicContact CG-CB 4.41Å; F242-L248 HydrophobicContact CB-CB 4.47Å; F242-L248 HydrophobicContact CD2-CB 4Å; F242-L248 HydrophobicContact CD2-CD1 3.88Å; F242-L248 HydrophobicContact CE2-CD1 3.95Å; F242-L248 HydrophobicContact CG-CB 4.35Å; F242-H251 HydrophobicContact CE1-CB 4.14Å; F242-H251 HydrophobicContact CE2-CB 4.21Å; F242-H251 AromaticContact CE2-CD2 3.47Å; F242-H251 VanDerWaalsContact CE2-CD2 3.47Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.35Å; F242-H251 AromaticContact CE2-CG 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.62Å; F242-H251 AromaticContact CZ-CD2 3.37Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.46Å; F242-H251 AromaticContact CZ-CG 3.42Å; F242-H251 VanDerWaalsContact CZ-CG 3.42Å
243S80.7Confident81.9Confident23 Ų2382.4 Ų82.416%0.16141%0.407CS..SBendtrans-77.6-18.1174.353.30000113.5
244R78.5Confident81.9Confident85 Ų8582.1 Ų82.132%0.32142%0.418SS..SBendtrans-136.6134.6-175.6-63.7175.562.51583.8112A222 F242 S246 L247 L248A222-R244 VanDerWaalsContact CB-CZ 3.44Å; A222-R244 VanDerWaalsContact CB-NH1 3.28Å; F242-R244 VanDerWaalsContact C-N 3.34Å; R244-S246 PolarHBondContact O-N 3.2Å; R244-L247 HydrophobicContact CB-CD1 4.14Å; R244-L247 HydrophobicContact CB-CG 4.16Å; R244-L247 WeakPolarHBondContact O-CB 3.37Å; R244-L247 PolarHBondContact O-N 2.9Å; R244-L248 PolarHBondContact O-N 2.83Å
245M83.4Confident81.4Confident126 Ų12678.5 Ų78.562%0.62141%0.412SS*.Hα-helixtrans-56.8-33.9175.6-165.2169.178.400113.3Y233 L247 L248 H249Y233-M245 HydrophobicContact CD1-CB 4.02Å; Y233-M245 HydrophobicContact CD1-CG 4.32Å; Y233-M245 HydrophobicContact CE1-CB 3.88Å; Y233-M245 HydrophobicContact CE1-CG 4.32Å; Y233-M245 HydrophobicContact CE1-SD 4.38Å; Y233-M245 HydrophobicContact CE2-CB 4.47Å; Y233-M245 HydrophobicContact CG-CB 4.39Å; M245-L247 PolarHBondContact O-N 3.3Å; M245-L248 PolarHBondContact O-N 3.4Å; M245-H249 PolarHBondContact O-N 2.98Å
246S83.7Confident80.5Confident62 Ų6281.6 Ų81.643%0.43443%0.433SS..Hα-helixtrans-69.1-17.417661.80000114.5R244 K250R244-S246 PolarHBondContact O-N 3.2Å; S246-K250 WeakPolarHBondContact O-CG 3.45Å
247L83.4Confident79.5Confident79 Ų7973.8 Ų73.841%0.41440%0.403SS..Hα-helixtrans-87.8-37.8172.9-65.4174.2000110.6F242 R244 M245 K250 H251F242-L247 HydrophobicContact CB-CB 4.36Å; F242-L247 HydrophobicContact CD1-CB 3.92Å; F242-L247 HydrophobicContact CG-CB 4.41Å; R244-L247 HydrophobicContact CB-CD1 4.14Å; R244-L247 HydrophobicContact CB-CG 4.16Å; R244-L247 WeakPolarHBondContact O-CB 3.37Å; R244-L247 PolarHBondContact O-N 2.9Å; M245-L247 PolarHBondContact O-N 3.3Å; L247-K250 PolarHBondContact O-N 3.5Å; L247-H251 WeakPolarHBondContact O-CB 3.43Å; L247-H251 PolarHBondContact O-N 3.28Å; L247-H251 VanDerWaalsContact O-N 3.08Å
248L85.4Confident78.5Confident18 Ų1874.3 Ų74.39%0.09441%0.41CS..Hα-helixtrans-58.5-50.9171.2173.560000111.1C235 F242 R244 M245 K250 H251 E252C235-L248 HydrophobicContact CB-CD1 3.56Å; F242-L248 HydrophobicContact CB-CB 4.47Å; F242-L248 HydrophobicContact CD2-CB 4Å; F242-L248 HydrophobicContact CD2-CD1 3.88Å; F242-L248 HydrophobicContact CE2-CD1 3.95Å; F242-L248 HydrophobicContact CG-CB 4.35Å; R244-L248 PolarHBondContact O-N 2.83Å; M245-L248 PolarHBondContact O-N 3.4Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.95Å; L248-H251 WeakPolarHBondContact O-CA 3.45Å; L248-H251 WeakPolarHBondContact O-CB 3.1Å; L248-H251 PolarHBondContact O-N 3.04Å; L248-E252 HydrophobicContact CD1-CG 3.94Å; L248-E252 WeakPolarHBondContact CD1-OE1 3.48Å; L248-E252 HydrophobicContact CG-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.43Å; L248-E252 PolarHBondContact O-N 3.38Å
249H85.3Confident77.3Confident105 Ų10578.4 Ų78.449%0.48643%0.433SS..Hα-helixtrans-56.4-46.7-180-165.1-86.1000112M245 H251 E252 E253M245-H249 PolarHBondContact O-N 2.98Å; H249-H251 VanDerWaalsContact C-N 3.26Å; H249-H251 PolarHBondContact O-N 3.08Å; H249-E252 PolarHBondContact O-N 2.95Å; H249-E253 IonicContact CE1-OE1 3.15Å; H249-E253 PolarHBondContact CE1-OE1 3.43Å; H249-E253 IonicContact CE1-OE2 3.59Å; H249-E253 IonicContact CG-OE2 3.92Å; H249-E253 IonicContact ND1-OE1 3.28Å; H249-E253 PolarHBondContact ND1-OE1 2.97Å; H249-E253 IonicContact ND1-OE2 2.84Å; H249-E253 PolarHBondContact ND1-OE2 3.16Å; H249-E253 WeakPolarHBondContact O-CB 3.37Å; H249-E253 VanDerWaalsContact O-CG 3.3Å; H249-E253 WeakPolarHBondContact O-CG 3.47Å; H249-E253 PolarHBondContact O-N 3.33Å
250K84.6Confident75.7Confident145 Ų14585.1 Ų85.163%0.6345%0.452SS*.Hα-helixtrans-61.3-33.1175.5-75.6-174.9174.9-1620113.6S246 L247 L248 E253 S254S246-K250 WeakPolarHBondContact O-CG 3.45Å; L247-K250 PolarHBondContact O-N 3.5Å; L248-K250 VanDerWaalsContact C-N 3.34Å; L248-K250 PolarHBondContact O-N 2.95Å; K250-E253 WeakPolarHBondContact CA-OE2 3.46Å; K250-S254 VanDerWaalsContact O-CB 3.25Å; K250-S254 WeakPolarHBondContact O-CB 3.43Å; K250-S254 PolarHBondContact O-N 3.5Å
251H83.9Confident75.5Confident19 Ų1984.2 Ų84.29%0.08845%0.452CS..Hα-helixtrans-74.8-36177.7168.256.8000112.2C238 F242 L247 L248 H249 S254 C257C238-H251 PolarHBondContact SG-NE2 3.36Å; F242-H251 HydrophobicContact CE1-CB 4.14Å; F242-H251 HydrophobicContact CE2-CB 4.21Å; F242-H251 AromaticContact CE2-CD2 3.47Å; F242-H251 VanDerWaalsContact CE2-CD2 3.47Å; F242-H251 WeakPolarHBondContact CE2-CD2 3.35Å; F242-H251 AromaticContact CE2-CG 3.97Å; F242-H251 HydrophobicContact CZ-CB 3.62Å; F242-H251 AromaticContact CZ-CD2 3.37Å; F242-H251 WeakPolarHBondContact CZ-CD2 3.46Å; F242-H251 AromaticContact CZ-CG 3.42Å; F242-H251 VanDerWaalsContact CZ-CG 3.42Å; L247-H251 WeakPolarHBondContact O-CB 3.43Å; L247-H251 PolarHBondContact O-N 3.28Å; L247-H251 VanDerWaalsContact O-N 3.08Å; L248-H251 WeakPolarHBondContact O-CA 3.45Å; L248-H251 WeakPolarHBondContact O-CB 3.1Å; L248-H251 PolarHBondContact O-N 3.04Å; H249-H251 VanDerWaalsContact C-N 3.26Å; H249-H251 PolarHBondContact O-N 3.08Å; H251-S254 PolarHBondContact O-OG 2.79Å; H251-C257 PolarHBondContact NE2-SG 3.17Å
252E82.9Confident75.2Confident84 Ų8485.5 Ų85.539%0.39346%0.457SS..Hα-helixtrans-69.1-44.4172.8-68.4172.8153.600110.6L248 H249 S254 G255L248-E252 HydrophobicContact CD1-CG 3.94Å; L248-E252 WeakPolarHBondContact CD1-OE1 3.48Å; L248-E252 HydrophobicContact CG-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.43Å; L248-E252 PolarHBondContact O-N 3.38Å; H249-E252 PolarHBondContact O-N 2.95Å; E252-S254 VanDerWaalsContact C-N 3.31Å; E252-S254 PolarHBondContact O-N 2.77Å; E252-G255 PolarHBondContact O-N 3.42Å
253E82.4Confident74.8Confident133 Ų13388 Ų8862%0.62147%0.472SS*.Hα-helixtrans-61.5-33.5172.6-73.2172130.400113.1H249 K250 G255H249-E253 IonicContact CE1-OE1 3.15Å; H249-E253 PolarHBondContact CE1-OE1 3.43Å; H249-E253 IonicContact CE1-OE2 3.59Å; H249-E253 IonicContact CG-OE2 3.92Å; H249-E253 IonicContact ND1-OE1 3.28Å; H249-E253 PolarHBondContact ND1-OE1 2.97Å; H249-E253 IonicContact ND1-OE2 2.84Å; H249-E253 PolarHBondContact ND1-OE2 3.16Å; H249-E253 WeakPolarHBondContact O-CB 3.37Å; H249-E253 VanDerWaalsContact O-CG 3.3Å; H249-E253 WeakPolarHBondContact O-CG 3.47Å; H249-E253 PolarHBondContact O-N 3.33Å; K250-E253 WeakPolarHBondContact CA-OE2 3.46Å; E253-G255 PolarHBondContact O-N 3.35Å; E253-G255 VanDerWaalsContact O-N 3.12Å
254S79.6Confident74.5Confident79 Ų7991.8 Ų91.855%0.55249%0.491SS*.THydrogen-bonded Turntrans-75.26.3-178.378.80000114K250 H251 E252 C256K250-S254 VanDerWaalsContact O-CB 3.25Å; K250-S254 WeakPolarHBondContact O-CB 3.43Å; K250-S254 PolarHBondContact O-N 3.5Å; H251-S254 PolarHBondContact O-OG 2.79Å; E252-S254 VanDerWaalsContact C-N 3.31Å; E252-S254 PolarHBondContact O-N 2.77Å; S254-C256 PolarHBondContact O-N 3.02Å
255G70.7Confident74.3Confident42 Ų4292.3 Ų92.343%0.43350%0.501SS..THydrogen-bonded Turntrans62.313.1175.200000115E252 E253 C257 V258E252-G255 PolarHBondContact O-N 3.42Å; E253-G255 PolarHBondContact O-N 3.35Å; E253-G255 VanDerWaalsContact O-N 3.12Å; G255-C257 PolarHBondContact O-N 3Å; G255-V258 WeakPolarHBondContact O-CG2 3.35Å; G255-V258 PolarHBondContact O-N 2.79Å
256C64.4Low73.6Confident69 Ų6990 Ų9047%0.46649%0.493SS..  trans-70.31-174.1-175.50000113.1K240 S254K240-C256 PolarHBondContact NZ-SG 3.4Å; K240-C256 VanDerWaalsContact NZ-SG 3.43Å; S254-C256 PolarHBondContact O-N 3.02Å
257C60.8Low72.9Confident32 Ų3292 Ų9222%0.21650%0.498CS..  trans-118.750.9176.6-570000110.7N237 H251 G255 V259N237-C257 HydrophobicContact CB-CB 3.56Å; H251-C257 PolarHBondContact NE2-SG 3.17Å; G255-C257 PolarHBondContact O-N 3Å; C257-V259 PolarHBondContact O-N 2.83Å; C257-V259 VanDerWaalsContact O-N 3.17Å
258V59Low72.1Confident117 Ų11793 Ų9371%0.70950%0.504SS*.  trans-64.5114.2165-173.10000107.4G255 H260G255-V258 WeakPolarHBondContact O-CG2 3.35Å; G255-V258 PolarHBondContact O-N 2.79Å; V258-H260 PolarHBondContact O-N 3.47Å
259V53.6Low71Confident117 Ų11799.3 Ų99.371%0.70954%0.538SS*.  trans-72.7118.6169.9-175.90000106.7C257C257-V259 PolarHBondContact O-N 2.83Å; C257-V259 VanDerWaalsContact O-N 3.17Å
260H45.1Very low69.7Low249 Ų24998.7 Ų98.7100%1.15354%0.543SS*.  trans-85.30169.7-109.6-68.1000110.4V258V258-H260 PolarHBondContact O-N 3.47Å

Retrieved 260 of 260 residues in 600.4 ms (Link to these results)