A0A096N4W0_PAPAN Loading...

KAT8 regulatory NSL complex subunit 2

Non-catalytic component of the NSL histone acetyltransferase complex, a multiprotein complex that mediates histone H4 acetylation at 'Lys-5'- and 'Lys-8' (H4K5ac and H4K8ac) at transcription start sites and promotes transcription initiation. Required for NSL complex stability and for transcription of intraciliary transport genes in both ciliated and non-ciliated cells by regulating histone H4 acetylation at 'Lys-5'- and 'Lys-12' (H4K5ac and H4K12ac). This is necessary for cilium assembly in ciliated cells and for organization of the microtubule cytoskeleton in non-ciliated cells. Required within the NSL complex to maintain nuclear architecture stability by promoting KAT8-mediated acetylation of lamin LMNA.

AlphaFold DB , UniProt , Accession A0A096N4W0, Species PAPAN (Papio anubis, Olive baboon), Gene KANSL2, Length 677 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
1M31.1Very low28.1Very low250 Ų250139.5 Ų139.5100%1.23286%0.857SS**  0141.30-56177.9-169.900106.9
2A26.2Very low28.2Very low99 Ų99149.3 Ų149.382%0.81887%0.867SS**  cis-131.6177.6-1.700000110.4
3A25.4Very low28.2Very low94 Ų94144.8 Ų144.878%0.77786%0.858SS**PPolyproline II helixtrans-81.4147.6-166.900000114.9
4F26Very low28.3Very low208 Ų208140.3 Ų140.391%0.91284%0.844SS**PPolyproline II helixtrans-100.7130.9159.7-87.5-86.4000110.2
5L26.8Very low28.3Very low166 Ų166141.1 Ų141.187%0.86984%0.84SS**PPolyproline II helixtrans-88.3119.4178.3-71.6167.3000110.6L7L5-L7 PolarHBondContact O-N 3.34Å
6A26.1Very low28.4Very low105 Ų105137.4 Ų137.487%0.86882%0.824SS**  trans-77.8100.2174.100000110.9S8A6-S8 PolarHBondContact O-N 3.05Å
7L29.3Very low28.8Very low172 Ų172136 Ų13690%0.90182%0.819SS**  trans-69.2110.9170.1-86.7170.1000110.4L5L5-L7 PolarHBondContact O-N 3.34Å
8S30.5Very low28.7Very low103 Ų103139.8 Ų139.872%0.7282%0.823SS**  trans-71.1163.4173.980.40000112.4A6A6-S8 PolarHBondContact O-N 3.05Å
9S33.4Very low28.7Very low110 Ų110140.7 Ų140.777%0.76982%0.823SS**  trans82.1103.6172.881.60000117.6
10C26.6Very low28.8Very low128 Ų128139.1 Ų139.187%0.86582%0.819SS**  trans-128.7132.6143.8-94.90000108.4
11S28.2Very low28.8Very low99 Ų99138.5 Ų138.569%0.69282%0.817SS**  trans-78.4138.5-175.8-68.80000111.3A13S11-A13 PolarHBondContact O-N 2.89Å
12W28.6Very low28.8Very low258 Ų258135 Ų13598%0.97780%0.798SS**  trans-67.5103.1175.3-81.149.2000111.3A14W12-A14 PolarHBondContact O-N 3.18Å
13A28.6Very low28.8Very low91 Ų91134.9 Ų134.975%0.75279%0.791SS**  trans-71.6116.3166.800000109.7S11 I15S11-A13 PolarHBondContact O-N 2.89Å; A13-I15 PolarHBondContact O-N 3.34Å
14A29.2Very low28.8Very low81 Ų81136.2 Ų136.267%0.66979%0.794SS**  trans-89.783-175.500000111.7W12W12-A14 PolarHBondContact O-N 3.18Å
15I29.3Very low28.8Very low152 Ų152136.2 Ų136.278%0.77979%0.789SS**  trans-71.7127.7169.3-59.8176.2000108.9A13A13-I15 PolarHBondContact O-N 3.34Å
16S29.4Very low28.8Very low83 Ų83138 Ų13858%0.5879%0.79SS**  trans-152.598.5175.2-76.10000111
17P35.4Very low28.8Very low113 Ų113137.7 Ų137.773%0.73478%0.782SS**  trans-72.5125.9164.330.1-31.5000109.2
18F26.8Very low28.7Very low204 Ų204134.4 Ų134.490%0.89577%0.773SS**  trans-78.3121.2161.3-113.2-96.8000108
19L28Very low28.6Very low157 Ų157138 Ų13882%0.82278%0.776SS**  trans-125.1121157.3-84.2173.4000107.6
20S31.4Very low28.4Very low108 Ų108140.4 Ų140.476%0.75578%0.775SS**  trans-89.3121.7172.8-175.20000108.6
21T29.5Very low28.3Very low127 Ų127139.9 Ų139.978%0.77977%0.771SS**  trans-128.796.4168.952.60000108.4
22Q30.5Very low28.3Very low178 Ų178143.8 Ų143.883%0.83278%0.778SS**  trans-65.6133.9156.5-76.1177.9-33.200108
23S25.6Very low28.2Very low95 Ų95136.6 Ų136.666%0.66477%0.768SS**  trans-125107.4165.9-176.10000107.6
24C25.3Very low28.2Very low123 Ų123141.2 Ų141.283%0.83177%0.774SS**  trans-116.782.7173-69.30000108F26C24-F26 PolarHBondContact O-N 3.48Å
25Y26.3Very low28Very low207 Ų207142.1 Ų142.181%0.81278%0.775SS**  trans-74.2111166.9-99.8-97.2000109.4
26F26Very low27.8Very low203 Ų203139.7 Ų139.789%0.8977%0.772SS**  trans-155.3118.1141.2-134.4-86.2000111C24C24-F26 PolarHBondContact O-N 3.48Å
27S27.8Very low27.6Very low100 Ų100141 Ų14170%0.69978%0.781SS**  trans-102.9125.7172.3-71.60000109.6
28S26.7Very low27.2Very low103 Ų103145.8 Ų145.872%0.7279%0.786SS**  -180122.6120.4-83.20000114.5
29K28.8Very low27Very low179 Ų179146.6 Ų146.678%0.77878%0.783SS**  trans53.1109.1130-63.7-172.1177.5-176.70120.5
30Q27.7Very low26.9Very low160 Ų160145.4 Ų145.475%0.74878%0.777SS**  79.4103.1106.4-168.6175.8-8.200119.8
31C25.6Very low26.6Very low116 Ų116149.1 Ų149.178%0.78478%0.782SS**  -160.8113.6122.7-101.20000107.4
32Q28.4Very low26.4Very low181 Ų181146.3 Ų146.385%0.84678%0.779SS**  61122.391.1-99.8-175-7.300114.9
33S26.1Very low26.2Very low108 Ų108142.4 Ų142.476%0.75578%0.777SS**  trans-97.9144.7178.245.20000111.8
34Q27.4Very low26.2Very low187 Ų187148.9 Ų148.987%0.87479%0.787SS**  trans-163.9161145.9-113.6159.484.300113.8
35S25.8Very low26.4Very low100 Ų100149.5 Ų149.570%0.69978%0.781SS**  trans-34.9161.4167260000118.1
36S26.1Very low26.4Very low101 Ų101145.2 Ų145.271%0.70678%0.781SS**  cis-175.4153.9-3.947.30000114.1
37S24.8Very low26.5Very low112 Ų112139.2 Ų139.278%0.78378%0.776SS**  trans41105.4138.6177.30000122.2
38Y25.8Very low26.5Very low212 Ų212141.5 Ų141.583%0.83178%0.78SS**  -162.2125.1128.151.5-95.8000109.2
39R24.2Very low26.6Very low221 Ų221147 Ų14783%0.83479%0.785SS**  74.2117.183-95.6-166.9-169.3-1766.6117.2
40L25.8Very low26.6Very low133 Ų133142.4 Ų142.470%0.69678%0.776SS**  trans83.5130.5143.6-62.1170.4000121.6
41Q25Very low26.8Very low185 Ų185145.1 Ų145.186%0.86478%0.779SS**  trans47.5142.3138.7-59.2175.73.700120.6
42G23.7Very low27Very low69 Ų69144.9 Ų144.971%0.71177%0.774SS**  cis153.4174.20.100000112.4
43A27Very low27.1Very low96 Ų96142.7 Ų142.779%0.79376%0.762SS**  trans72.2133.417900000116.5
44R26.9Very low27Very low231 Ų231147.5 Ų147.587%0.87276%0.764SS**  83.6140.757.7-111.9-167.4-76.1-178.3-4.3111.4
45I28.6Very low27Very low136 Ų136147.3 Ų147.370%0.69776%0.755SS**  cis-151.215216.1-43.5174.3000111.1
46S26.1Very low27.3Very low117 Ų117147.5 Ų147.582%0.81876%0.756SS**  trans58.8150.4155.151.80000120.5
47G27.5Very low27.3Very low76 Ų76151.8 Ų151.878%0.78477%0.765SS**  cis138.5156.62.200000110.9
48D29.4Very low27.4Very low148 Ų148149.6 Ų149.679%0.79176%0.76SS**  cis-123-113.92.2-173.921.5000109
49R28.2Very low27.7Very low218 Ų218147.8 Ų147.882%0.82376%0.764SS**  cis-148.1125.1-11.9-142.6-164-163.4-175.24.7112.1
50S29.4Very low28.3Very low83 Ų83143 Ų14358%0.5876%0.761SS**  trans27.4139142.674.40000121.4
51R31.1Very low28.7Very low218 Ų218148.3 Ų148.382%0.82377%0.772SS**  cis-174.4133.16-127-166.4-179-169.93114.1
52T29.5Very low29.2Very low111 Ų111145.8 Ų145.868%0.68177%0.772SS**  trans58.9162.7136.6540000121
53K29.8Very low29.3Very low134 Ų134145.7 Ų145.758%0.58377%0.77SS**  cis-160.6173.10.8-125.3168.7174.9-166.50106.3
54W26Very low29.9Very low209 Ų209147.5 Ų147.579%0.79277%0.774SS**  cis-141.4146.819.1-62.179.6000107.8
55R27.1Very low30Very low184 Ų184142.7 Ų142.769%0.69477%0.77SS**  cis79.6121.240.9-173.6173.6-92.1-96.33.8115.4H57R55-H57 PolarHBondContact NH1-NE2 2.8Å
56S31.3Very low29.8Very low104 Ų104142.7 Ų142.773%0.72778%0.776SS**  trans-109.3158.817750.70000113.5
57H26.7Very low29.8Very low191 Ų191142.5 Ų142.588%0.88477%0.774SS**  trans-162.6166.9165-77.3-78.2000106.3R55R55-H57 PolarHBondContact NH1-NE2 2.8Å
58G26.9Very low29.8Very low66 Ų66143.5 Ų143.568%0.6877%0.768SS**  cis172155.9-200000109.5
59L31.6Very low29.7Very low173 Ų173145.3 Ų145.391%0.90677%0.772SS**  trans-77.3166.6-179-72.4167.6000113.5
60P36.9Very low29.7Very low121 Ų121139.7 Ų139.779%0.78677%0.772SS**  -141.6165.9122.638.5-26.6000116.5
61R33Very low29.7Very low245 Ų245138.9 Ų138.993%0.92578%0.777SS**  trans-127.4150.5155.3-83.5-170173.1-152.31.1107.4
62P37.4Very low29.9Very low132 Ų132139.4 Ų139.486%0.85778%0.779SS**  -148-173101.937.1-18.8000114.4
63G24.9Very low30Very low66 Ų66138.9 Ų138.968%0.6877%0.772SS**  trans-96.3-152.6168.100000112.5
64P39Very low30.4Very low135 Ų135140.9 Ų140.988%0.87778%0.781SS**  cis-128.5-127.113.741.7-22.5000114.8
65V29Very low30.4Very low129 Ų129134.5 Ų134.578%0.78278%0.78SS**  trans-129.6152.7-156.2-177.90000112
66V25.3Very low30.5Very low137 Ų137129.3 Ų129.383%0.8378%0.784SS**  trans163.4156.2136.6157.10000112.5
67C25.9Very low30.5Very low113 Ų113130.9 Ų130.976%0.76479%0.789SS**  trans-78.6179.7-177.8-53.50000112.9
68S27.4Very low30.6Very low96 Ų96130.8 Ų130.867%0.67179%0.788SS**  cis-172.3163.646.7-72.50000113
69E26.3Very low30.6Very low187 Ų187131.1 Ų131.187%0.87479%0.792SS**  trans54.2153.3143.6-69.2169.6143.700120.8
70A29.8Very low30.3Very low100 Ų100126.8 Ų126.883%0.82679%0.789SS**  cis-165.4166.6-18.800000106.7
71G28.7Very low29.8Very low66 Ų66126.3 Ų126.368%0.6879%0.789SS**  cis158.8174-4.100000110.8
72R35.7Very low29.6Very low229 Ų229120.3 Ų120.386%0.86478%0.779SS**  trans71.5157.3165.3-63.3-173.6-165.6-169.84.2117.6
73D30.2Very low29.2Very low100 Ų100118.9 Ų118.954%0.53578%0.779SS.*  cis-146.1139.63-127.8-1.3000114.2
74K38.4Very low29.2Very low175 Ų175121 Ų12176%0.76178%0.778SS**  trans50.8146.1143.2-66.7158.6-166.4147.20123.7
75G27.5Very low28.5Very low76 Ų76119.3 Ų119.378%0.78478%0.775SS**  cis165.5172.2-9.500000118.2
76G28.3Very low28.2Very low74 Ų74123.5 Ų123.576%0.76378%0.777SS**  trans84.9164.8175.700000114.5
77V30.9Very low28.1Very low137 Ų137121.5 Ų121.583%0.8378%0.775SS**  cis-154146.1-14.7179.40000104.2
78Q29Very low28Very low189 Ų189126.4 Ų126.488%0.88378%0.777SS**  cis-139-151.919.6-145.9161.415.200111.4
79G26.4Very low27.7Very low73 Ų73133.1 Ų133.175%0.75379%0.788SS**  trans-100.217916400000111.8
80G26.7Very low27.5Very low82 Ų82130.6 Ų130.685%0.84579%0.79SS**  cis172.3173.14.400000107.2
81S26.7Very low27.2Very low112 Ų112137.1 Ų137.178%0.78379%0.793SS**  cis-153.3138.25178.20000110.4
82V28.7Very low26.9Very low119 Ų119143.3 Ų143.372%0.72180%0.802SS**  trans33.4119.4152.6-173.70000120V84V82-V84 HydrophobicContact CG1-CG2 3.86Å
83A27.9Very low26.5Very low102 Ų102137 Ų13784%0.84379%0.79SS**  trans-86.6147.1158.800000111.7
84V25.8Very low26.2Very low110 Ų110137.3 Ų137.367%0.66780%0.8SS**  trans-136127172.3-166.30000109.9V82V82-V84 HydrophobicContact CG1-CG2 3.86Å
85A23.7Very low25.5Very low99 Ų99134.5 Ų134.582%0.81880%0.801SS**  trans-98.3133177.300000111.3
86W24Very low25.3Very low217 Ų217136.4 Ų136.482%0.82280%0.801SS**  trans-136.1142.6171.8-76.980.6000110.3
87A21.7Very low25.1Very low95 Ų95137.7 Ų137.779%0.78580%0.798SS**  trans-109.5128.5178.600000111.2
88W23.7Very low24.8Very low216 Ų216137.2 Ų137.282%0.81880%0.8SS**  trans-128.6114.2170.7-73.765.3000106.9
89R22.1Very low24.5Very low237 Ų237133.4 Ų133.489%0.89480%0.8SS**  51.388.886.3-81.2-166.2169.6-160.5-1.7113.6
90C21.3Very low24.3Very low134 Ų134135.2 Ų135.291%0.90580%0.802SS**  trans-69.9143154.4-59.90000109.9
91R23.3Very low25.2Very low237 Ų237135.8 Ų135.889%0.89479%0.791SS**  trans-140.9120.9174.8-168.6-177.3-169-1722.7108.9
92F22.6Very low25.2Very low197 Ų197138.2 Ų138.286%0.86479%0.789SS**  trans-84.5148.2173.3-84.7-84.7000111.6
93P27.2Very low25Very low95 Ų95138.5 Ų138.562%0.61779%0.787SS**  trans-99.5149.6131.836-27.6000109.5
94S24Very low25Very low107 Ų107140.5 Ų140.575%0.74879%0.789SS**  cis67.512339.377.20000112.8
95C23.4Very low24.9Very low117 Ų117143.5 Ų143.579%0.79179%0.793SS**  cis-133.4177.611.6-67.60000109.3
96C23.7Very low24.8Very low116 Ų116143.9 Ų143.978%0.78479%0.79SS**  cis61.8137.539.7-66.30000114.6
97S24.4Very low24.8Very low100 Ų100139.4 Ų139.470%0.69979%0.786SS**  cis-165.7156.1-13.2-86.70000111.3
98C24.8Very low24.8Very low128 Ų128141.6 Ų141.687%0.86579%0.79SS**  trans32.2130.5151.9-49.20000123.6
99A22.1Very low24.7Very low108 Ų108135 Ų13589%0.89379%0.789SS**  trans-171.6165138.100000113.3
100S21.9Very low24.6Very low112 Ų112133 Ų13378%0.78379%0.787SS**  trans-160.8175.1174.3-157.60000107.5
101P47.3Very low24.7Very low94 Ų94138.5 Ų138.561%0.6179%0.788SS**  cis-123.3-166.1-15.212.115.5000112.3
102E25.5Very low24.8Very low162 Ų162133.7 Ų133.776%0.75779%0.785SS**  154141.4127.4-74-43.9138.300114.4
103D25.6Very low24.9Very low125 Ų125127.5 Ų127.567%0.66878%0.777SS**  trans-28147.8-173.2-78.3-8.8000124.7
104T26.8Very low25.5Very low144 Ų144129.2 Ų129.288%0.88379%0.788SS**  -161.8152.7120.72.10000115
105F23.2Very low25.7Very low173 Ų173127.7 Ų127.776%0.75979%0.789SS**  trans-76162.3-175.7-71.9-108000113.2
106S22.5Very low26Very low108 Ų108131.1 Ų131.176%0.75580%0.796SS**  -178.313366.4-56.70000117.1
107V22.9Very low26.2Very low122 Ų122134.5 Ų134.574%0.73980%0.8SS**  63.7107.9121.1-178.80000123.5
108V22Very low26.5Very low141 Ų141133.2 Ų133.286%0.85580%0.803SS**  trans70.3131.3134.6174.90000123.4
109G21.5Very low26.6Very low77 Ų77137 Ų13779%0.79481%0.808SS**  trans-175.1120.8156.400000114.3
110F21.8Very low26.9Very low195 Ų195136.6 Ų136.686%0.85580%0.804SS**  trans-103145.5-171.7-119.1-92.7000113.9
111R21.5Very low27.1Very low250 Ų250141.7 Ų141.794%0.94381%0.812SS**  trans-167.2171.4142-116175.7-169-167.93.3115.7
112V25.9Very low26Very low137 Ų137145.8 Ų145.883%0.8382%0.823SS**  trans-133.3147.6-167.4175.70000110.7
113G25.4Very low26.1Very low67 Ų67147.7 Ų147.769%0.69182%0.824SS**  trans-170.9157.6170.100000114.2
114P39.9Very low26.2Very low131 Ų131148.4 Ų148.485%0.85182%0.823SS**  trans-136.7151.2-149.239.4-21.1000119.9
115G28.8Very low26.2Very low74 Ų74145.3 Ų145.376%0.76381%0.807SS**  trans73145.413100000123.2
116M28.2Very low26.4Very low190 Ų190145.7 Ų145.794%0.93681%0.811SS**  176.5177.6129.7-95.9-158.7147.700114
117E29.3Very low26.6Very low187 Ų187150.1 Ų150.187%0.87482%0.816SS**  trans-111177.4-157.7-50.5164.896.400115.7
118G29Very low26.6Very low73 Ų73150.5 Ų150.575%0.75382%0.823SS**  trans159.378.615100000123.6
119Q27.6Very low26.7Very low208 Ų208150.9 Ų150.997%0.97282%0.82SS**  trans56.7171.3142.8-77-171.9-700123.7
120A27.6Very low26.7Very low99 Ų99159.2 Ų159.282%0.81883%0.827SS**  trans-142.2175.6-169.300000113.3
121K26.1Very low26.8Very low218 Ų218160.7 Ų160.795%0.94883%0.827SS**  trans-155.5158.3165.9-129.4170.1-172.7171.20114.8
122E26Very low27.8Very low180 Ų180153.9 Ų153.984%0.84182%0.816SS**  trans-136.2156.2-166.2178.4-168.6-177.200111.2
123R26.7Very low27.8Very low203 Ų203150.7 Ų150.777%0.76681%0.81SS**  trans158.5155.2152.9-89.3173.3179.6-127.44.4107.9
124E27Very low27.9Very low139 Ų139157.4 Ų157.465%0.6582%0.824SS**  cis-165.9158.9-1.8-113.2152.8-178.400104.4
125S26.8Very low27.3Very low80 Ų80154.8 Ų154.856%0.55982%0.82SS**  cis168.7-176.4-12.251.70000106.4
126H27.5Very low27.2Very low181 Ų181155.4 Ų155.484%0.83883%0.827SS**  trans79.7118.1170-56.9-71.6000121.3
127K27.2Very low27.1Very low200 Ų200150.1 Ų150.187%0.8782%0.821SS**  trans-99.3158.8154.4-67.4173.8174.9174.30109.3
128C22.6Very low27Very low131 Ų131149.5 Ų149.589%0.88582%0.819SS**  trans-158.5164.6142.4-123.90000112.6
129L24.4Very low26.9Very low148 Ų148153.6 Ų153.678%0.77582%0.822SS**  trans-98.4160.1-173.1-79.264.6000112.4
130W22.2Very low26.9Very low253 Ų253153.9 Ų153.996%0.95882%0.815SS**  -164.4178.5115-100.9101.9000110.8
131R24.3Very low26.8Very low225 Ų225154.5 Ų154.585%0.84981%0.813SS**  trans-132.6-142.3-158.9-160.9-149.2-76.6-169.6-4.2115
132P40.7Very low27Very low108 Ų108150.8 Ų150.870%0.70181%0.808SS**  trans-89.2-174.9-133.741.8-27.9000114.3
133G26.4Very low28.1Very low70 Ų70146.8 Ų146.872%0.72280%0.798SS**  cis123.2137-100000114
134E27.6Very low28.2Very low207 Ų207147.8 Ų147.897%0.96780%0.803SS**  trans-158.4155.9-180-95.6171.5-174.300109.3
135G26.9Very low28.1Very low76 Ų76144.6 Ų144.678%0.78481%0.807SS**  cis177.7144.2-7.900000112.5
136G27.2Very low28.1Very low87 Ų87145.6 Ų145.690%0.89782%0.821SS**  trans80.2148.8-179.900000115.3
137G26.7Very low28.1Very low80 Ų80144.2 Ų144.283%0.82582%0.82SS**  cis109.9137.81.800000113
138Q27.6Very low27.9Very low174 Ų174144.5 Ų144.581%0.81382%0.821SS**  cis-170.9146.4-7.4178.1176.110.400109.6
139L26.8Very low28Very low159 Ų159143.1 Ų143.183%0.83281%0.812SS**  trans170128.6157.7-91.3152.8000106.5
140R26.9Very low28.1Very low214 Ų214144.2 Ų144.281%0.80882%0.818SS**  61.5134.956-76-169.1174.3-170.7-0.6114.2
141S25.1Very low28.3Very low112 Ų112136.8 Ų136.878%0.78380%0.804SS**  cis-170.2168.4-6.841.90000111.8
142V31.2Very low28.3Very low140 Ų140136.7 Ų136.785%0.84881%0.811SS**  trans-134.4132.9-178.4169.20000107.2
143P49.6Very low27.5Very low96 Ų96134.4 Ų134.462%0.62381%0.806SS**  -154.3-168.982.734.8-9.8000117.1
144Y27.1Very low27.5Very low223 Ų223138.9 Ų138.988%0.87581%0.813SS**  trans74.6145176.1-55-79.5000117.3
145G26.3Very low27.4Very low72 Ų72135 Ų13574%0.74281%0.808SS**  cis119.2101.1-11.700000115.4
146A26.6Very low28Very low102 Ų102136.6 Ų136.684%0.84381%0.805SS**  trans-166150.4165.100000111.7
147D26.6Very low28.1Very low152 Ų152143 Ų14381%0.81380%0.802SS**  trans-76.8161.7177.5-40-91.3000113.1
148F23.8Very low28Very low206 Ų206145.7 Ų145.790%0.90480%0.797SS**  -163.3155.6117.4-128.3-98.7000113.3
149C24Very low28Very low102 Ų102144.4 Ų144.469%0.68980%0.795SS**  trans-88.4158.6178.4-61.20000112.3
150L25.8Very low28Very low171 Ų171141.9 Ų141.990%0.89579%0.791SS**  -166.8153.8110.3-103.7167.5000113.2
151S27.1Very low28.1Very low97 Ų97140.7 Ų140.768%0.67879%0.786SS**  trans-112.7140.9-167.7-41.70000112.2
152F24.9Very low28.3Very low223 Ų223144.7 Ų144.798%0.97879%0.786SS**  trans-173.1138.5147.8-85.2-63.8000107.6
153G24.2Very low28Very low59 Ų59141.9 Ų141.961%0.60879%0.785SS**  cis173.7160.9-7.900000111
154N26.2Very low26.9Very low164 Ų164141.3 Ų141.388%0.87780%0.797SS**  trans68.2100.6166.4-51.9-23.4000119.2
155C25.7Very low26.9Very low126 Ų126135.2 Ų135.285%0.85179%0.792SS**  trans-87.3162.4132.5-65.60000108.5
156P38.3Very low26.9Very low110 Ų110140.5 Ų140.571%0.71480%0.797SS**  -146.5160.293.638.2-22.8000115.9
157R29.5Very low27Very low222 Ų222142.6 Ų142.684%0.83879%0.793SS**  trans26.7153133.6-46.2-176.6-174.1-176.61.7120
158D25.7Very low27.1Very low135 Ų135144.4 Ų144.472%0.72279%0.794SS**  cis-148.4-177.430.6-88.5-61.5000109.4
159L27.3Very low27.2Very low147 Ų147137.8 Ų137.877%0.7778%0.784SS**  cis174.9158.9-33.9-169.599.5000106
160S26.4Very low27.5Very low107 Ų107140.8 Ų140.875%0.74879%0.785SS**  trans72.6150.8160.1163.50000119
161R29.8Very low27.7Very low188 Ų188138.8 Ų138.871%0.70978%0.776SS**  cis-176.5155.6-30-151167.7-175.6-172.13.9109.1
162Y28.2Very low28Very low197 Ų197143.8 Ų143.877%0.77379%0.785SS**  trans63.7153.2172.1-57.5-72.4000116.4
163G26Very low28.2Very low80 Ų80137 Ų13783%0.82578%0.777SS**  cis150.3123-8.300000112.4
164G25.4Very low28.4Very low85 Ų85143.7 Ų143.788%0.87679%0.79SS**  trans-179.6144.5178.300000110.2
165A27.8Very low28.5Very low95 Ų95143.5 Ų143.579%0.78579%0.788SS**  trans-136.3-165.7-167.700000112.1
166E24.8Very low28.6Very low182 Ų182144.5 Ų144.585%0.8578%0.784SS**  trans80.6155.7170.5-55.3-177.8175.400118.1
167I30Very low28Very low146 Ų146148.1 Ų148.175%0.74979%0.789SS**  176.9124.2-60.1-92.3163.8000108.7
168F27.6Very low28.1Very low191 Ų191144.2 Ų144.284%0.83878%0.783SS**  trans75.1154.2158.2-92.2-118.3000123.9
169G26Very low28.2Very low67 Ų67145.5 Ų145.569%0.69179%0.789SS**  trans127.481.9-179.700000112.5
170K30.6Very low28.4Very low165 Ų165144 Ų14472%0.71779%0.786SS**  50.9129.272.5-72-156.5169.8-171.70114.2
171D30.5Very low28.7Very low129 Ų129145 Ų14569%0.6979%0.79SS**  cis-152.2146-2.6-76.8-49.3000110
172K32.4Very low28.8Very low202 Ų202145 Ų14588%0.87880%0.798SS**  trans-156.8117144.6-69.5-156179-179.90110.7
173G30.2Very low29Very low79 Ų79141.7 Ų141.781%0.81480%0.798SS**  trans-78.4159.9177.700000114.1
174F27.4Very low29.4Very low201 Ų201145.9 Ų145.988%0.88280%0.8SS**  trans-122.5138.3171.5-90.1-94.5000110.6
175L28.4Very low29.7Very low159 Ų159147.1 Ų147.183%0.83279%0.791SS**  trans-73.1128.7175-78.3156.4000110.6
176I28.2Very low30.1Very low147 Ų147151 Ų15175%0.75480%0.795SS**  trans-89.6114.7171.7-57.9175.5000108.3I178I176-I178 HydrophobicContact CG2-CG1 3.91Å; I176-I178 PolarHBondContact O-N 2.68Å
177F26.2Very low30.4Very low187 Ų187149.3 Ų149.382%0.8279%0.791SS**  trans-84.8103.3165-81.3-87.4000109L179F177-L179 PolarHBondContact O-N 3.43Å
178I30.6Very low30.5Very low140 Ų140154 Ų15472%0.71880%0.8SS**  trans-78.8117.4170.7-57.7178.9000108.1I176 T180I176-I178 HydrophobicContact CG2-CG1 3.91Å; I176-I178 PolarHBondContact O-N 2.68Å; I178-T180 HydrophobicContact CG2-CG2 4.35Å
179L28.4Very low30.8Very low162 Ų162152.3 Ų152.385%0.84880%0.798SS**  trans-106.1111.4168.2-72.4173.3000108.5F177F177-L179 PolarHBondContact O-N 3.43Å
180T30.8Very low31.1Very low116 Ų116159.7 Ų159.771%0.71281%0.805SS**PPolyproline II helixtrans-79.1137.7175.645.70000110.9I178 Q182I178-T180 HydrophobicContact CG2-CG2 4.35Å; T180-Q182 PolarHBondContact O-N 3.46Å
181P33.3Very low31.2Very low126 Ų126158.8 Ų158.882%0.81881%0.806SS**PPolyproline II helixtrans-78.4121.6176.630.5-32.6000110.7
182Q31.1Very low31.2Very low188 Ų188161 Ų16188%0.87981%0.812SS**PPolyproline II helixtrans-83.5144.5169.6-72.2-167.8-3.200111.8T180T180-Q182 PolarHBondContact O-N 3.46Å
183V33.5Very low31.5Very low128 Ų128157.2 Ų157.278%0.77681%0.806SS**PPolyproline II helixtrans-77.4131.2-173.1178.10000111.6V185V183-V185 HydrophobicContact CG1-CG2 4.39Å; V183-V185 PolarHBondContact O-N 2.8Å
184L33.2Very low31.4Very low168 Ų168161.1 Ų161.188%0.8881%0.807SS**  trans-80.8107.4172-71.2172.9000111
185V32.3Very low31.8Very low111 Ų111156.6 Ų156.667%0.67380%0.798SS**  trans-93.3119.7173.3-179.40000110.6V183 N187V183-V185 HydrophobicContact CG1-CG2 4.39Å; V183-V185 PolarHBondContact O-N 2.8Å; V185-N187 PolarHBondContact O-N 3.23Å
186M35.7Very low32Very low178 Ų178156.3 Ų156.388%0.87780%0.803SS**  trans-81.697.9-179.1-76.2158.546.400112.3
187N31.9Very low32.2Very low145 Ų145156.5 Ų156.578%0.77581%0.805SS**PPolyproline II helixtrans-78.3122.8176.8-72.9-35.8000112.6V185V185-N187 PolarHBondContact O-N 3.23Å
188R33.3Very low32.8Very low245 Ų245159 Ų15993%0.92581%0.81SS**PPolyproline II helixtrans-90122.9174.6-74.6175.4165.1152.4-5.4110.7
189I33.1Very low32.8Very low155 Ų155155.7 Ų155.780%0.79581%0.809SS**PPolyproline II helixtrans-81.3122.6178.1-60174.5000110.3I191I189-I191 HydrophobicContact CG2-CG1 4.22Å
190R32.8Very low33.5Very low222 Ų222160.1 Ų160.184%0.83882%0.815SS**PPolyproline II helixtrans-101.7128.4159.8-91.5-177.7169.8152.9-4.2108.6
191I32.5Very low33.7Very low147 Ų147162 Ų16275%0.75482%0.819SS**  trans-90.6113.3175-59.5174.8000108.6I189 V193I189-I191 HydrophobicContact CG2-CG1 4.22Å; I191-V193 HydrophobicContact CG2-CG2 4.01Å
192H30.8Very low33.9Very low174 Ų174161.5 Ų161.581%0.80681%0.814SS**  trans-112.3135.1160.5-78.8-95.5000108.5
193V38.2Very low34.1Very low123 Ų123158.7 Ų158.775%0.74581%0.812SS**  trans-115.5137.6178.2177.70000108.3I191I191-V193 HydrophobicContact CG2-CG2 4.01Å
194L27.9Very low34.3Very low162 Ų162158.6 Ų158.685%0.84881%0.811SS**  trans151.5160.3160.7-83.8165.8000108.5
195P35.6Very low34.7Very low106 Ų106156.2 Ų156.269%0.68881%0.806SS**  -130.8132.1-69.632.9-14.5000113.2
196T32.2Very low35.1Very low153 Ų153162.2 Ų162.294%0.93982%0.816SS**PPolyproline II helixtrans-72.5135.9180-470000112.6
197N33.2Very low35.6Very low150 Ų150159.4 Ų159.480%0.80281%0.814SS**PPolyproline II helixtrans-88.1166.6-174.5-124.4-47.3000114.1G199N197-G199 PolarHBondContact O-N 3.21Å
198R38.1Very low36.6Very low241 Ų241160.4 Ų160.491%0.90981%0.814SS**PPolyproline II helixtrans-78.9116.7-164.8-66.8170.3171.3157.7-4.2114.6
199G31.6Very low37.5Very low69 Ų69157.1 Ų157.171%0.71181%0.809SS**PPolyproline II helixtrans-83.3137.4156.500000111.5N197N197-G199 PolarHBondContact O-N 3.21Å
200R43Very low38.8Very low255 Ų255155.1 Ų155.196%0.96281%0.807SS**  trans-86.9112.1-175.6-179.4-172.5-75.6167-5.6111.3
201I35Very low40.8Very low156 Ų156149.4 Ų149.480%0.879%0.792SS**  trans-123.5153.8171.2-54.9179.9000109
202T36.3Very low43.2Very low116 Ų116145.9 Ų145.971%0.71278%0.781SS**  trans-62.2152.1-17536.80000114.3V204T202-V204 PolarHBondContact O-N 3.16Å; T202-V204 VanDerWaalsContact O-N 3.16Å
203P36Very low45.8Very low129 Ų129138 Ų13884%0.83874%0.744SS**  trans-74.8105.7-17630.1-34.8000112.4
204V38.2Very low47.9Very low125 Ų125133.5 Ų133.576%0.75872%0.721SS**PPolyproline II helixtrans-76.7145161-1800000108.6T202T202-V204 PolarHBondContact O-N 3.16Å; T202-V204 VanDerWaalsContact O-N 3.16Å
205P42Very low50.5Low118 Ų118127.5 Ų127.577%0.76669%0.688SS**PPolyproline II helixtrans-58.2146.4-176.9-26.936.2000113.8S207P205-S207 PolarHBondContact O-N 3.38Å
206R41Very low52.4Low238 Ų238128.7 Ų128.790%0.89869%0.693SS**PPolyproline II helixtrans-63.6117.9175.3-63.4-179.7178.7104.3-4110Q208R206-Q208 PolarHBondContact O-N 2.86Å
207S44.4Very low54.6Low118 Ų118129.1 Ų129.183%0.82568%0.684SS**PPolyproline II helixtrans-59.6120.8158.852.70000108.4P205P205-S207 PolarHBondContact O-N 3.38Å
208Q53.6Low56.8Low167 Ų167131.4 Ų131.478%0.7868%0.682SS**PPolyproline II helixtrans-68.6148.8-177.1-64.7173.9-8.600110.6R206R206-Q208 PolarHBondContact O-N 2.86Å
209E52.4Low58.6Low175 Ų175126.4 Ų126.482%0.81868%0.68SS**PPolyproline II helixtrans-60.4143.1168.4-69.7-177.2115.800109.8L211E209-L211 PolarHBondContact O-N 3.27Å
210P59.4Low61.1Low114 Ų114124.1 Ų124.174%0.7465%0.653SS**  trans-67.795.6-176.527.2-34.4000110.7S212 P223P210-S212 PolarHBondContact O-N 3.23Å; P210-P223 HydrophobicContact CB-CB 4.36Å
211L75.2Confident63.1Low102 Ų102117.3 Ų117.353%0.53464%0.644SS.*PPolyproline II helixtrans-50.7133.9177.5-69.2170.8000110.8E209 R224E209-L211 PolarHBondContact O-N 3.27Å; L211-R224 HydrophobicContact CB-CG 4.4Å; L211-R224 VanDerWaalsContact O-CG 3.31Å; L211-R224 WeakPolarHBondContact O-CG 3.03Å; L211-R224 PolarHBondContact O-N 2.92Å
212S82.9Confident65.4Low73 Ų73113.6 Ų113.651%0.5162%0.624SS.*EExtended strand (participates in β ladder)trans-74.5150177.952.50000111.9P210 A214 R224P210-S212 PolarHBondContact O-N 3.23Å; S212-A214 PolarHBondContact O-N 2.94Å; S212-R224 PolarHBondContact O-NE 3.15Å
213C86.4Confident67.7Low7 Ų7111.6 Ų111.65%0.04761%0.613CS.*EExtended strand (participates in β ladder)trans-55.2127.3-179.7175.20000112.3F215 C220 Q222 C231 H234C213-F215 PolarHBondContact O-N 3.47Å; C213-C220 HydrophobicContact CB-CB 3.89Å; C213-C220 PolarHBondContact N-O 3.3Å; C213-Q222 WeakPolarHBondContact CB-O 3.38Å; C213-Q222 PolarHBondContact N-O 3.39Å; C213-C231 HydrophobicContact CB-CB 3.93Å; C213-C231 PolarHBondContact SG-N 2.84Å; C213-C231 VanDerWaalsContact SG-SG 3.68Å; C213-H234 PolarHBondContact SG-ND1 2.99Å; C213-H234 VanDerWaalsContact SG-ND1 3.42Å
214A82.5Confident70Confident30 Ų30109 Ų10925%0.24859%0.587CS.*  trans-70.226.6-177.900000115.3S212 T216 E229 F230S212-A214 PolarHBondContact O-N 2.94Å; A214-T216 PolarHBondContact O-N 2.84Å; A214-E229 HydrophobicContact CB-CB 4.06Å; A214-E229 VanDerWaalsContact CB-O 3.24Å; A214-E229 WeakPolarHBondContact CB-O 3.35Å; A214-E229 PolarHBondContact N-O 3.41Å; A214-F230 HydrophobicContact CB-CE1 4.25Å; A214-F230 HydrophobicContact CB-CZ 4.44Å
215F81.9Confident72Confident35 Ų35105.7 Ų105.715%0.15456%0.564CS.*  trans-72.4113.7-176.5-176.9-132.9000110.5C213 H217 R218 C220 H234 E237C213-F215 PolarHBondContact O-N 3.47Å; F215-H217 HydrophobicContact CE1-CB 4.14Å; F215-H217 HydrophobicContact CE2-CB 3.83Å; F215-H217 HydrophobicContact CZ-CB 3.59Å; F215-R218 HydrophobicContact CD1-CB 4.34Å; F215-R218 WeakPolarHBondContact CD1-O 3.46Å; F215-R218 HydrophobicContact CE1-CB 4.17Å; F215-R218 CarbonylContact O-C 3.47Å; F215-C220 HydrophobicContact CB-CB 4.14Å; F215-H234 AromaticContact CD1-CE1 3.49Å; F215-H234 VanDerWaalsContact CD1-CE1 3.49Å; F215-H234 WeakPolarHBondContact CD1-CE1 3.43Å; F215-H234 AromaticContact CD1-ND1 3.86Å; F215-H234 AromaticContact CD1-NE2 3.74Å; F215-H234 AromaticContact CE1-NE2 3.84Å; F215-H234 AromaticContact CG-CE1 3.89Å; F215-H234 AromaticContact CG-CG 3.99Å; F215-H234 AromaticContact CG-ND1 3.76Å; F215-E237 WeakPolarHBondContact CD2-OE2 3.44Å; F215-E237 VanDerWaalsContact CE2-OE1 3.24Å; F215-E237 WeakPolarHBondContact CE2-OE1 3.11Å; F215-E237 WeakPolarHBondContact CE2-OE2 3.45Å
216T76.3Confident73.7Confident131 Ų131109.4 Ų109.480%0.80457%0.571SS**SBendtrans-80.6-29.6-17153.20000113.4A214A214-T216 PolarHBondContact O-N 2.84Å
217H76.7Confident75.3Confident162 Ų162101.8 Ų101.875%0.7557%0.567SS**SBendtrans-72.7-27.6-178.1-87.1-82.3000113.7F215F215-H217 HydrophobicContact CE1-CB 4.14Å; F215-H217 HydrophobicContact CE2-CB 3.83Å; F215-H217 HydrophobicContact CZ-CB 3.59Å
218R80.1Confident77Confident199 Ų19998.3 Ų98.375%0.75154%0.538SS*.SBendtrans-151.7138.1165.5-69.5-164.9177.2-152.3-2.7110.4F215 C220F215-R218 HydrophobicContact CD1-CB 4.34Å; F215-R218 WeakPolarHBondContact CD1-O 3.46Å; F215-R218 HydrophobicContact CE1-CB 4.17Å; F215-R218 CarbonylContact O-C 3.47Å; R218-C220 PolarHBondContact O-N 2.88Å
219P76.3Confident78.3Confident135 Ų13595.4 Ų95.488%0.87752%0.524SS*.  trans-59.9123.6178.125.5-34.4000110.9
220C83.8Confident79.8Confident22 Ų2288.7 Ų88.715%0.14949%0.492CS..EExtended strand (participates in β ladder)trans-114.1107.3-176.4-174.80000111C213 F215 R218 Q222 H234C213-C220 HydrophobicContact CB-CB 3.89Å; C213-C220 PolarHBondContact N-O 3.3Å; F215-C220 HydrophobicContact CB-CB 4.14Å; R218-C220 PolarHBondContact O-N 2.88Å; C220-Q222 PolarHBondContact O-N 3.19Å; C220-Q222 VanDerWaalsContact O-N 3.1Å; C220-H234 PolarHBondContact SG-CE1 2.9Å
221S84.3Confident81.2Confident111 Ų11183.3 Ų83.378%0.77646%0.458SS*.EExtended strand (participates in β ladder)trans-73.28.317955.80000115
222Q83.8Confident81.6Confident79 Ų7982.4 Ų82.437%0.36945%0.452SS..EExtended strand (participates in β ladder)trans-75.5142.5173-64-70.5-80.900109.8C213 C220 C231C213-Q222 WeakPolarHBondContact CB-O 3.38Å; C213-Q222 PolarHBondContact N-O 3.39Å; C220-Q222 PolarHBondContact O-N 3.19Å; C220-Q222 VanDerWaalsContact O-N 3.1Å; Q222-C231 HydrophobicContact CB-CB 3.59Å
223P84.3Confident81.6Confident74 Ų7486 Ų8648%0.48146%0.459SS..EExtended strand (participates in β ladder)trans-62.1146.2176.427.7-35.2000110.7P210 C231P210-P223 HydrophobicContact CB-CB 4.36Å; P223-C231 WeakPolarHBondContact O-CA 3.24Å; P223-C231 WeakPolarHBondContact O-CB 3.44Å
224R85.2Confident81.6Confident75 Ų7587.3 Ų87.328%0.28346%0.464SS..PPolyproline II helixtrans-59.9150.3165.4-71.9178.5-169.7-144.9-2.7110.7L211 S212 Q228 E229L211-R224 HydrophobicContact CB-CG 4.4Å; L211-R224 VanDerWaalsContact O-CG 3.31Å; L211-R224 WeakPolarHBondContact O-CG 3.03Å; L211-R224 PolarHBondContact O-N 2.92Å; S212-R224 PolarHBondContact O-NE 3.15Å; R224-Q228 WeakPolarHBondContact CB-O 3.22Å; R224-Q228 WeakPolarHBondContact CD-O 3.36Å; R224-E229 WeakPolarHBondContact CG-O 3.49Å; R224-E229 IonicContact CZ-OE1 2.71Å; R224-E229 PolarHBondContact NE-O 3.47Å; R224-E229 IonicContact NH1-OE1 3.07Å; R224-E229 PolarHBondContact NH1-OE1 3.03Å; R224-E229 IonicContact NH2-OE1 3.2Å
225L80.1Confident81.7Confident54 Ų5485.9 Ų85.928%0.28345%0.452SS..PPolyproline II helixtrans-76.9151.3164.6-70.7168.9000109.8G227 Q228 F230 I232 I235 F243L225-G227 PolarHBondContact O-N 3.44Å; L225-Q228 HydrophobicContact CB-CB 4.19Å; L225-Q228 HydrophobicContact CB-CG 4.36Å; L225-Q228 PolarHBondContact O-N 2.96Å; L225-F230 PolarHBondContact N-O 2.94Å; L225-I232 HydrophobicContact CD1-CB 3.94Å; L225-I232 HydrophobicContact CD1-CD1 3.91Å; L225-I235 HydrophobicContact CB-CD1 4.4Å; L225-I235 HydrophobicContact CD1-CB 4.44Å; L225-I235 HydrophobicContact CD1-CD1 3.5Å; L225-I235 VanDerWaalsContact CD1-CD1 3.5Å; L225-I235 HydrophobicContact CD1-CG2 4.33Å; L225-F243 HydrophobicContact CD1-CE2 4.45Å; L225-F243 HydrophobicContact CD1-CZ 4.35Å
226E76.9Confident81.9Confident196 Ų19687.4 Ų87.492%0.91646%0.462SS*.THydrogen-bonded Turntrans-59.1127.5-175.4-64.1-178.216900111.4Q228E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å
227G75.3Confident82.1Confident79 Ų7985.7 Ų85.781%0.81445%0.445SS*.THydrogen-bonded Turntrans69.116.7-175.800000115.5L225L225-G227 PolarHBondContact O-N 3.44Å
228Q79.3Confident82.4Confident45 Ų4579.8 Ų79.821%0.2142%0.418CS..SBendtrans-132.4154.3-177.3-58.7-71.8-80.200111.6R224 L225 E226 I235 A241R224-Q228 WeakPolarHBondContact CB-O 3.22Å; R224-Q228 WeakPolarHBondContact CD-O 3.36Å; L225-Q228 HydrophobicContact CB-CB 4.19Å; L225-Q228 HydrophobicContact CB-CG 4.36Å; L225-Q228 PolarHBondContact O-N 2.96Å; E226-Q228 VanDerWaalsContact C-N 3.28Å; E226-Q228 PolarHBondContact O-N 2.8Å; Q228-I235 HydrophobicContact CB-CD1 4.11Å; Q228-I235 HydrophobicContact CG-CD1 3.82Å; Q228-A241 VanDerWaalsContact OE1-CA 3.23Å
229E80.8Confident82.1Confident106 Ų10679.8 Ų79.850%0.49542%0.424SS..SBendtrans-84.7-9.6179.9-65.8-13094.500114A214 R224A214-E229 HydrophobicContact CB-CB 4.06Å; A214-E229 VanDerWaalsContact CB-O 3.24Å; A214-E229 WeakPolarHBondContact CB-O 3.35Å; A214-E229 PolarHBondContact N-O 3.41Å; R224-E229 WeakPolarHBondContact CG-O 3.49Å; R224-E229 IonicContact CZ-OE1 2.71Å; R224-E229 PolarHBondContact NE-O 3.47Å; R224-E229 IonicContact NH1-OE1 3.07Å; R224-E229 PolarHBondContact NH1-OE1 3.03Å; R224-E229 IonicContact NH2-OE1 3.2Å
230F84.6Confident82Confident33 Ų3380.5 Ų80.515%0.14542%0.42CS..SBendtrans-125.2157.2-170.4-58.2-88.6000112.5A214 L225 H234 I235 D238A214-F230 HydrophobicContact CB-CE1 4.25Å; A214-F230 HydrophobicContact CB-CZ 4.44Å; L225-F230 PolarHBondContact N-O 2.94Å; F230-H234 HydrophobicContact CB-CB 4.3Å; F230-H234 HydrophobicContact CD1-CB 4.1Å; F230-I235 HydrophobicContact CB-CB 4.38Å; F230-D238 HydrophobicContact CD2-CB 3.76Å; F230-D238 HydrophobicContact CE2-CB 3.89Å
231C87.9Confident81.8Confident2 Ų279.6 Ų79.61%0.01442%0.415CS..  trans-81.6167.5170.871.80000111.4C213 Q222 P223 K233 H234 I235C213-C231 HydrophobicContact CB-CB 3.93Å; C213-C231 PolarHBondContact SG-N 2.84Å; C213-C231 VanDerWaalsContact SG-SG 3.68Å; Q222-C231 HydrophobicContact CB-CB 3.59Å; P223-C231 WeakPolarHBondContact O-CA 3.24Å; P223-C231 WeakPolarHBondContact O-CB 3.44Å; C231-K233 PolarHBondContact O-N 3.42Å; C231-H234 PolarHBondContact O-N 2.96Å; C231-I235 WeakPolarHBondContact O-CB 3.31Å; C231-I235 PolarHBondContact O-N 3.42Å
232I84.5Confident81.6Confident83 Ų8377.5 Ų77.543%0.42640%0.399SS..THydrogen-bonded Turntrans-54.7-16.2-179.6-16759.1000115.4L225 I235 F243 A260L225-I232 HydrophobicContact CD1-CB 3.94Å; L225-I232 HydrophobicContact CD1-CD1 3.91Å; I232-I235 HydrophobicContact CD1-CG2 4.37Å; I232-F243 HydrophobicContact CD1-CD1 4.39Å; I232-F243 HydrophobicContact CD1-CE1 3.89Å; I232-F243 HydrophobicContact CD1-CZ 4.45Å; I232-A260 HydrophobicContact CD1-CB 4.06Å
233K82.8Confident81.6Confident147 Ų14776 Ų7664%0.63939%0.391SS*.THydrogen-bonded Turntrans-87.2-33.1175.8-63.6-178.5-179.3175.10113.6C231C231-K233 PolarHBondContact O-N 3.42Å
234H85.8Confident81.7Confident35 Ų3577.7 Ų77.716%0.16239%0.39CS..THydrogen-bonded Turntrans-108.3-5.6-176.2-54.6132.4000113.3C213 F215 C220 F230 C231 L236 E237C213-H234 PolarHBondContact SG-ND1 2.99Å; C213-H234 VanDerWaalsContact SG-ND1 3.42Å; F215-H234 AromaticContact CD1-CE1 3.49Å; F215-H234 VanDerWaalsContact CD1-CE1 3.49Å; F215-H234 WeakPolarHBondContact CD1-CE1 3.43Å; F215-H234 AromaticContact CD1-ND1 3.86Å; F215-H234 AromaticContact CD1-NE2 3.74Å; F215-H234 AromaticContact CE1-NE2 3.84Å; F215-H234 AromaticContact CG-CE1 3.89Å; F215-H234 AromaticContact CG-CG 3.99Å; F215-H234 AromaticContact CG-ND1 3.76Å; C220-H234 PolarHBondContact SG-CE1 2.9Å; F230-H234 HydrophobicContact CB-CB 4.3Å; F230-H234 HydrophobicContact CD1-CB 4.1Å; C231-H234 PolarHBondContact O-N 2.96Å; H234-L236 PolarHBondContact O-N 2.93Å; H234-E237 IonicContact CD2-OE1 3.61Å; H234-E237 VanDerWaalsContact O-CB 3.31Å; H234-E237 WeakPolarHBondContact O-CB 3.46Å; H234-E237 WeakPolarHBondContact O-CG 3.48Å; H234-E237 PolarHBondContact O-N 3.31Å
235I85.9Confident81.9Confident0 Ų078.6 Ų78.60%040%0.398CS..THydrogen-bonded Turntrans-61.5-6.2178.4-165.1158.5000115.1L225 Q228 F230 C231 I232 E237 A241 F243 A260L225-I235 HydrophobicContact CB-CD1 4.4Å; L225-I235 HydrophobicContact CD1-CB 4.44Å; L225-I235 HydrophobicContact CD1-CD1 3.5Å; L225-I235 VanDerWaalsContact CD1-CD1 3.5Å; L225-I235 HydrophobicContact CD1-CG2 4.33Å; Q228-I235 HydrophobicContact CB-CD1 4.11Å; Q228-I235 HydrophobicContact CG-CD1 3.82Å; F230-I235 HydrophobicContact CB-CB 4.38Å; C231-I235 WeakPolarHBondContact O-CB 3.31Å; C231-I235 PolarHBondContact O-N 3.42Å; I232-I235 HydrophobicContact CD1-CG2 4.37Å; I235-E237 VanDerWaalsContact C-N 3.32Å; I235-A241 HydrophobicContact CD1-CB 4.1Å; I235-A241 HydrophobicContact CG1-CB 3.55Å; I235-F243 HydrophobicContact CD1-CD2 3.37Å; I235-F243 HydrophobicContact CD1-CE2 3.53Å; I235-F243 HydrophobicContact CD1-CG 4.19Å; I235-F243 HydrophobicContact CD1-CZ 4.44Å; I235-F243 HydrophobicContact CG1-CB 4.48Å; I235-F243 HydrophobicContact CG1-CD2 3.88Å; I235-F243 HydrophobicContact CG1-CE2 4.49Å; I235-F243 HydrophobicContact CG1-CG 4.33Å; I235-F243 HydrophobicContact CG2-CB 4.34Å; I235-F243 HydrophobicContact CG2-CD2 4.43Å; I235-F243 HydrophobicContact CG2-CG 4.17Å; I235-A260 HydrophobicContact CG2-CB 3.73Å
236L85.6Confident82.4Confident68 Ų6876 Ų7636%0.35638%0.384SS..THydrogen-bonded Turntrans-82.4-8.2169.7-64.1-177.2000113.7H234 F243 K244 Q245 P258 A260H234-L236 PolarHBondContact O-N 2.93Å; L236-F243 HydrophobicContact CD2-CB 4.41Å; L236-K244 VanDerWaalsContact CD2-C 3.44Å; L236-Q245 HydrophobicContact CD1-CB 4.35Å; L236-P258 WeakPolarHBondContact CD1-O 3.13Å; L236-A260 HydrophobicContact CD1-CB 4.42Å; L236-A260 HydrophobicContact CD2-CB 3.91Å; L236-A260 HydrophobicContact CG-CB 3.99Å
237E81.4Confident82.9Confident95 Ų9568.2 Ų68.244%0.44435%0.352SS..THydrogen-bonded Turntrans-85.1-28.3174.6-60.8171.9-161.400111.4F215 H234 I235 K239F215-E237 WeakPolarHBondContact CD2-OE2 3.44Å; F215-E237 VanDerWaalsContact CE2-OE1 3.24Å; F215-E237 WeakPolarHBondContact CE2-OE1 3.11Å; F215-E237 WeakPolarHBondContact CE2-OE2 3.45Å; H234-E237 IonicContact CD2-OE1 3.61Å; H234-E237 VanDerWaalsContact O-CB 3.31Å; H234-E237 WeakPolarHBondContact O-CB 3.46Å; H234-E237 WeakPolarHBondContact O-CG 3.48Å; H234-E237 PolarHBondContact O-N 3.31Å; I235-E237 VanDerWaalsContact C-N 3.32Å; E237-K239 PolarHBondContact O-N 2.95Å
238D81.2Confident83.4Confident37 Ų3768.1 Ų68.120%0.19833%0.327CS..  trans-76.4116172-171.3-18.8000110.5F230 N240 A241F230-D238 HydrophobicContact CD2-CB 3.76Å; F230-D238 HydrophobicContact CE2-CB 3.89Å; D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 2.83Å; D238-N240 WeakPolarHBondContact OD1-CA 3.25Å; D238-N240 WeakPolarHBondContact OD1-CB 3.06Å; D238-N240 PolarHBondContact OD1-N 3.37Å; D238-A241 HydrophobicContact CB-CB 3.91Å; D238-A241 PolarHBondContact OD1-N 3.48Å
239K74.5Confident83.8Confident200 Ų20070.2 Ų70.287%0.8734%0.339SS*.SBendtrans-75.6-18.2-179.2-61177.2-175.6173.10113.1E237E237-K239 PolarHBondContact O-N 2.95Å
240N74.3Confident83.9Confident149 Ų14966.9 Ų66.980%0.79733%0.327SS*.SBendtrans-93.1-18.4-179.1-60.1-29.6000112D238D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 2.83Å; D238-N240 WeakPolarHBondContact OD1-CA 3.25Å; D238-N240 WeakPolarHBondContact OD1-CB 3.06Å; D238-N240 PolarHBondContact OD1-N 3.37Å
241A79.4Confident83.7Confident4 Ų471.6 Ų71.63%0.03336%0.359CS..SBendtrans-57.6146.4-178.800000113.5Q228 I235 D238 F243Q228-A241 VanDerWaalsContact OE1-CA 3.23Å; I235-A241 HydrophobicContact CD1-CB 4.1Å; I235-A241 HydrophobicContact CG1-CB 3.55Å; D238-A241 HydrophobicContact CB-CB 3.91Å; D238-A241 PolarHBondContact OD1-N 3.48Å; A241-F243 PolarHBondContact O-N 2.91Å
242P80.1Confident83.3Confident67 Ų6780.5 Ų80.544%0.43540%0.398SS..SBendtrans-78.541176.234.4-36000112.3K263P242-K263 VanDerWaalsContact C-CB 3.46Å; P242-K263 VanDerWaalsContact O-CB 3.22Å; P242-K263 WeakPolarHBondContact O-CB 3.17Å; P242-K263 PolarHBondContact O-N 3.2Å
243F83.5Confident83Confident48 Ų4882.1 Ų82.121%0.21141%0.407CS..EExtended strand (participates in β ladder)trans-130.6155.1-178.5-71.5-95.5000111.7L225 I232 I235 L236 A241 A260 A261 P262L225-F243 HydrophobicContact CD1-CE2 4.45Å; L225-F243 HydrophobicContact CD1-CZ 4.35Å; I232-F243 HydrophobicContact CD1-CD1 4.39Å; I232-F243 HydrophobicContact CD1-CE1 3.89Å; I232-F243 HydrophobicContact CD1-CZ 4.45Å; I235-F243 HydrophobicContact CD1-CD2 3.37Å; I235-F243 HydrophobicContact CD1-CE2 3.53Å; I235-F243 HydrophobicContact CD1-CG 4.19Å; I235-F243 HydrophobicContact CD1-CZ 4.44Å; I235-F243 HydrophobicContact CG1-CB 4.48Å; I235-F243 HydrophobicContact CG1-CD2 3.88Å; I235-F243 HydrophobicContact CG1-CE2 4.49Å; I235-F243 HydrophobicContact CG1-CG 4.33Å; I235-F243 HydrophobicContact CG2-CB 4.34Å; I235-F243 HydrophobicContact CG2-CD2 4.43Å; I235-F243 HydrophobicContact CG2-CG 4.17Å; L236-F243 HydrophobicContact CD2-CB 4.41Å; A241-F243 PolarHBondContact O-N 2.91Å; F243-A260 HydrophobicContact CB-CB 4.38Å; F243-A260 HydrophobicContact CD1-CB 3.94Å; F243-A260 HydrophobicContact CG-CB 4.47Å; F243-A261 CarbonylContact C-O 3.54Å; F243-A261 WeakPolarHBondContact CA-O 3.48Å; F243-P262 HydrophobicContact CE1-CG 4.09Å
244K87.4Confident83Confident108 Ų10878 Ų7847%0.4741%0.406SS..EExtended strand (participates in β ladder)trans-139162.8172.9-72.3-176.4174.8177.70109.3L236 C246 A261 K263L236-K244 VanDerWaalsContact CD2-C 3.44Å; K244-C246 PolarHBondContact O-N 3.06Å; K244-A261 PolarHBondContact N-O 2.8Å; K244-A261 PolarHBondContact O-N 2.95Å; K244-K263 HydrophobicContact CD-CG 4.47Å; K244-K263 HydrophobicContact CG-CG 4.5Å
245Q88.1Confident83Confident94 Ų9484 Ų8444%0.43943%0.432SS..EExtended strand (participates in β ladder)trans-60.6135.2170.8-173.6-178.11100110.6L236 S247 C257L236-Q245 HydrophobicContact CD1-CB 4.35Å; Q245-S247 PolarHBondContact O-N 3.26Å; Q245-C257 WeakPolarHBondContact CG-O 3.33Å; Q245-C257 PolarHBondContact NE2-O 3.27Å
246C90.6Very high83Confident0 Ų090.7 Ų90.70%046%0.457CS..  trans-54.1130.2177.9175.60000112.8K244 Y248 C257 N259 A261 C273K244-C246 PolarHBondContact O-N 3.06Å; C246-Y248 PolarHBondContact O-N 3.18Å; C246-C257 HydrophobicContact CB-CB 3.83Å; C246-N259 WeakPolarHBondContact CB-O 3.1Å; C246-N259 PolarHBondContact N-O 3.21Å; C246-A261 HydrophobicContact CB-CB 4.2Å; C246-C273 HydrophobicContact CB-CB 4Å; C246-C273 PolarHBondContact SG-N 3.09Å; C246-C273 VanDerWaalsContact SG-SG 3.67Å
247S88.6Confident83.2Confident33 Ų3388 Ų8823%0.23144%0.444CS..  trans-75.6-5.5-176.5-59.40000114.6Q245 I249 S271Q245-S247 PolarHBondContact O-N 3.26Å; S247-I249 PolarHBondContact O-N 3.48Å; S247-S271 VanDerWaalsContact CB-O 3.25Å; S247-S271 WeakPolarHBondContact CB-O 3.24Å; S247-S271 PolarHBondContact N-O 2.88Å; S247-S271 PolarHBondContact OG-O 3.23Å
248Y86Confident83.3Confident76 Ų7688.1 Ų88.130%0.29845%0.453SS..PPolyproline II helixtrans-68129.4177.9-179.3-94.6000111.7C246 R256 C257 H276C246-Y248 PolarHBondContact O-N 3.18Å; Y248-R256 CarbonylContact O-C 3.53Å; Y248-R256 WeakPolarHBondContact O-CA 3.31Å; Y248-C257 PolarHBondContact O-N 3.46Å; Y248-H276 AromaticContact CD1-CD2 3.4Å; Y248-H276 VanDerWaalsContact CD1-CD2 3.4Å; Y248-H276 WeakPolarHBondContact CD1-CD2 3.35Å; Y248-H276 AromaticContact CD1-CE1 3.65Å; Y248-H276 AromaticContact CD1-NE2 3.19Å; Y248-H276 WeakPolarHBondContact CD1-NE2 3.44Å; Y248-H276 AromaticContact CD2-CD2 3.51Å; Y248-H276 AromaticContact CE1-CD2 3.69Å; Y248-H276 AromaticContact CE1-NE2 3.32Å; Y248-H276 VanDerWaalsContact CE1-NE2 3.32Å; Y248-H276 WeakPolarHBondContact CE1-NE2 3.41Å; Y248-H276 AromaticContact CE2-CD2 3.81Å; Y248-H276 HydrophobicContact CG-CB 4.39Å; Y248-H276 AromaticContact CG-CD2 3.29Å; Y248-H276 AromaticContact CG-CG 3.68Å; Y248-H276 AromaticContact CG-NE2 3.64Å; Y248-H276 AromaticContact CZ-CD2 3.9Å; Y248-H276 AromaticContact CZ-NE2 3.89Å
249I86.7Confident83.6Confident89 Ų8989.5 Ų89.546%0.45646%0.461SS..BIsolated β-bridgetrans-101.3127.7173.2-63.4172.4000108.6S247 T251 G254 R256S247-I249 PolarHBondContact O-N 3.48Å; I249-T251 PolarHBondContact O-N 2.85Å; I249-G254 WeakPolarHBondContact CG2-O 3.12Å; I249-R256 HydrophobicContact CG1-CG 3.9Å
250S82.8Confident84.3Confident36 Ų3680.4 Ų80.425%0.25242%0.423SS..PPolyproline II helixtrans-71.3119.5178.1177.30000111.3K252 N253 G254 K255S250-K252 PolarHBondContact O-N 2.97Å; S250-K252 VanDerWaalsContact O-N 3.15Å; S250-K252 PolarHBondContact OG-N 2.87Å; S250-N253 PolarHBondContact O-N 2.88Å; S250-N253 VanDerWaalsContact O-N 3.16Å; S250-G254 PolarHBondContact O-N 3.45Å; S250-K255 PolarHBondContact N-O 3.1Å
251T81.4Confident84.9Confident133 Ų13373.3 Ų73.382%0.81639%0.385SS*.THydrogen-bonded Turntrans-60.1-22.3175.453.40000113.6I249I249-T251 PolarHBondContact O-N 2.85Å
252K78.7Confident85.1Confident188 Ų18876.8 Ų76.882%0.81741%0.407SS*.THydrogen-bonded Turntrans-86.3-28.9178-64.6-172.9177.2-171.40113.7S250S250-K252 PolarHBondContact O-N 2.97Å; S250-K252 VanDerWaalsContact O-N 3.15Å; S250-K252 PolarHBondContact OG-N 2.87Å
253N78.3Confident85Confident118 Ų11879 Ų7963%0.63141%0.41SS*.THydrogen-bonded Turntrans-127.4-5-165.6-63.242.9000114S250 K255S250-N253 PolarHBondContact O-N 2.88Å; S250-N253 VanDerWaalsContact O-N 3.16Å; N253-K255 PolarHBondContact O-N 2.98Å
254G82.2Confident84.4Confident60 Ų6079 Ų7962%0.61941%0.414SS*.  trans66.3-13-17800000116.2I249 S250I249-G254 WeakPolarHBondContact CG2-O 3.12Å; S250-G254 PolarHBondContact O-N 3.45Å
255K86.3Confident83.3Confident161 Ų16183.1 Ų83.170%0.744%0.435SS*.PPolyproline II helixtrans-85.6147.9-177.1-65.8177.1-176.8-176.70111.8S250 N253S250-K255 PolarHBondContact N-O 3.1Å; N253-K255 PolarHBondContact O-N 2.98Å
256R86.9Confident82.3Confident140 Ų14086.9 Ų86.953%0.52845%0.45SS..BIsolated β-bridgetrans-65.8147.7169.6-72.6179.2-179.6-110.2-2110.8Y248 I249Y248-R256 CarbonylContact O-C 3.53Å; Y248-R256 WeakPolarHBondContact O-CA 3.31Å; I249-R256 HydrophobicContact CG1-CG 3.9Å
257C87.9Confident80.8Confident12 Ų1295.9 Ų95.98%0.08149%0.489CS..PPolyproline II helixtrans-62132.9175.1177.70000110.3Q245 C246 Y248 N259Q245-C257 WeakPolarHBondContact CG-O 3.33Å; Q245-C257 PolarHBondContact NE2-O 3.27Å; C246-C257 HydrophobicContact CB-CB 3.83Å; Y248-C257 PolarHBondContact O-N 3.46Å; C257-N259 VanDerWaalsContact C-N 3.3Å; C257-N259 PolarHBondContact O-N 3.2Å
258P85.1Confident79.3Confident97 Ų97101.2 Ų101.263%0.6352%0.515SS*.  trans-76.2-15-178.330.6-35.6000113.7L236L236-P258 WeakPolarHBondContact CD1-O 3.13Å
259N87.1Confident78.5Confident67 Ų6799.4 Ų99.436%0.35852%0.519SS..SBendtrans-70.7148.2-173.4-58.68.3000111.9C246 C257 C273C246-N259 WeakPolarHBondContact CB-O 3.1Å; C246-N259 PolarHBondContact N-O 3.21Å; C257-N259 VanDerWaalsContact C-N 3.3Å; C257-N259 PolarHBondContact O-N 3.2Å; N259-C273 HydrophobicContact CB-CB 3.78Å
260A88.3Confident78.1Confident9 Ų999.9 Ų99.97%0.07453%0.526CS..EExtended strand (participates in β ladder)trans-63.7143.8171.400000112.5I232 I235 L236 F243 C273I232-A260 HydrophobicContact CD1-CB 4.06Å; I235-A260 HydrophobicContact CG2-CB 3.73Å; L236-A260 HydrophobicContact CD1-CB 4.42Å; L236-A260 HydrophobicContact CD2-CB 3.91Å; L236-A260 HydrophobicContact CG-CB 3.99Å; F243-A260 HydrophobicContact CB-CB 4.38Å; F243-A260 HydrophobicContact CD1-CB 3.94Å; F243-A260 HydrophobicContact CG-CB 4.47Å; A260-C273 WeakPolarHBondContact O-CB 3.46Å
261A87.2Confident78.1Confident0 Ų098.9 Ų98.90%052%0.52CS..EExtended strand (participates in β ladder)trans-130140.3172.900000108.7F243 K244 C246 K263 F272F243-A261 CarbonylContact C-O 3.54Å; F243-A261 WeakPolarHBondContact CA-O 3.48Å; K244-A261 PolarHBondContact N-O 2.8Å; K244-A261 PolarHBondContact O-N 2.95Å; C246-A261 HydrophobicContact CB-CB 4.2Å; A261-K263 PolarHBondContact O-N 3.08Å; A261-F272 WeakPolarHBondContact CB-O 3.2Å
262P83.3Confident78.4Confident77 Ų7795 Ų9550%0.549%0.491SS..EExtended strand (participates in β ladder)trans-55139.8175.6-26.135.3000111.7F243 P264 S271F243-P262 HydrophobicContact CE1-CG 4.09Å; P262-P264 WeakPolarHBondContact O-CD 3.49Å; P262-S271 WeakPolarHBondContact O-CB 3.44Å; P262-S271 PolarHBondContact O-OG 3.42Å
263K78.8Confident78.9Confident113 Ų11386.2 Ų86.249%0.49145%0.453SS..  trans-75.5114.9175.1-179.7179.6174.4-174.40107.7P242 K244 A261P242-K263 VanDerWaalsContact C-CB 3.46Å; P242-K263 VanDerWaalsContact O-CB 3.22Å; P242-K263 WeakPolarHBondContact O-CB 3.17Å; P242-K263 PolarHBondContact O-N 3.2Å; K244-K263 HydrophobicContact CD-CG 4.47Å; K244-K263 HydrophobicContact CG-CG 4.5Å; A261-K263 PolarHBondContact O-N 3.08Å
264P69.9Low79.3Confident47 Ų4784.6 Ų84.631%0.30546%0.456SS..  trans-69.6143179.727.8-29.4000109.5P262 K266 G269P262-P264 WeakPolarHBondContact O-CD 3.49Å; P264-K266 PolarHBondContact O-N 3.49Å; P264-G269 WeakPolarHBondContact CG-O 3.09Å
265E64.9Low79.6Confident195 Ų19585.8 Ų85.891%0.91145%0.446SS*.SBendtrans-63.2-29.6179.4-169.5175.3-137.800112.1
266K68.4Low79.8Confident174 Ų17478.9 Ų78.976%0.75742%0.416SS*.SBendtrans-89.1127.8174.4-59-173.9-178.9-177.60110.4P264 D268 G269P264-K266 PolarHBondContact O-N 3.49Å; K266-D268 VanDerWaalsContact C-N 3.26Å; K266-D268 PolarHBondContact O-N 2.96Å; K266-G269 PolarHBondContact O-N 3.38Å
267K59.2Low79.9Confident188 Ų18876 Ų7682%0.81741%0.414SS*.THydrogen-bonded Turntrans-50.7-36-164-167.7176.4-178.4-1780115.4
268D56.2Low79.8Confident146 Ų14682.8 Ų82.878%0.78144%0.438SS*.THydrogen-bonded Turntrans-110.514.7-169.6-49.7-70.9000113.7K266K266-D268 VanDerWaalsContact C-N 3.26Å; K266-D268 PolarHBondContact O-N 2.96Å
269G69.5Low79.9Confident37 Ų3783.2 Ų83.238%0.38143%0.427SS..  trans-68.1129.8177.800000113.6P264 K266 S271P264-G269 WeakPolarHBondContact CG-O 3.09Å; K266-G269 PolarHBondContact O-N 3.38Å; G269-S271 PolarHBondContact O-N 3.46Å
270V77.8Confident79.9Confident100 Ų10083.3 Ų83.361%0.60643%0.427SS*.  trans-78.3100.2173.1-177.30000109.7F272V270-F272 HydrophobicContact CG1-CE1 4.06Å; V270-F272 HydrophobicContact CG1-CE2 3.98Å; V270-F272 HydrophobicContact CG1-CZ 3.6Å
271S82.9Confident79.8Confident15 Ų1585.5 Ų85.511%0.10545%0.445CS..  trans-88.8141178.555.90000113.9S247 P262 G269S247-S271 VanDerWaalsContact CB-O 3.25Å; S247-S271 WeakPolarHBondContact CB-O 3.24Å; S247-S271 PolarHBondContact N-O 2.88Å; S247-S271 PolarHBondContact OG-O 3.23Å; P262-S271 WeakPolarHBondContact O-CB 3.44Å; P262-S271 PolarHBondContact O-OG 3.42Å; G269-S271 PolarHBondContact O-N 3.46Å
272F87.7Confident79.8Confident50 Ų5090.1 Ų90.122%0.21947%0.47CS..  trans-121.4148.1178.9-62.5-66.2000110.1A261 V270 H276 V277A261-F272 WeakPolarHBondContact CB-O 3.2Å; V270-F272 HydrophobicContact CG1-CE1 4.06Å; V270-F272 HydrophobicContact CG1-CE2 3.98Å; V270-F272 HydrophobicContact CG1-CZ 3.6Å; F272-H276 HydrophobicContact CB-CB 3.89Å; F272-H276 HydrophobicContact CD1-CB 4.2Å; F272-H276 HydrophobicContact CG-CB 4.33Å; F272-V277 HydrophobicContact CB-CG2 3.81Å; F272-V277 WeakPolarHBondContact O-CG2 3.45Å
273C89.1Confident79.8Confident4 Ų488.9 Ų88.93%0.02747%0.466CS..  trans-69.2159.7169.166.70000110.3C246 N259 A260 E275 H276 V277C246-C273 HydrophobicContact CB-CB 4Å; C246-C273 PolarHBondContact SG-N 3.09Å; C246-C273 VanDerWaalsContact SG-SG 3.67Å; N259-C273 HydrophobicContact CB-CB 3.78Å; A260-C273 WeakPolarHBondContact O-CB 3.46Å; C273-E275 VanDerWaalsContact C-N 3.25Å; C273-E275 PolarHBondContact O-N 3.01Å; C273-H276 CarbonylContact O-C 3.57Å; C273-H276 WeakPolarHBondContact O-CA 3.34Å; C273-H276 PolarHBondContact O-N 3.48Å; C273-H276 PolarHBondContact SG-ND1 2.87Å; C273-V277 PolarHBondContact O-N 3.24Å
274A87.2Confident79.9Confident84 Ų8488.3 Ų88.369%0.69447%0.468SS*.Hα-helixtrans-50-39.8-172.700000114.4H276 R278A274-H276 PolarHBondContact O-N 2.89Å; A274-R278 WeakPolarHBondContact O-CB 3.41Å; A274-R278 PolarHBondContact O-N 2.73Å
275E88.6Confident80.3Confident86 Ų8691.2 Ų91.240%0.40248%0.477SS..Hα-helixtrans-61.5-42.1174.1-62.8-175.2-165.600113.4C273 R278 R279C273-E275 VanDerWaalsContact C-N 3.25Å; C273-E275 PolarHBondContact O-N 3.01Å; E275-R278 PolarHBondContact O-N 2.74Å; E275-R279 VanDerWaalsContact O-CG 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.37Å; E275-R279 PolarHBondContact O-N 2.94Å; E275-R279 IonicContact OE2-CZ 3.34Å; E275-R279 IonicContact OE2-NH1 3.78Å; E275-R279 PolarHBondContact OE2-NH1 3.42Å; E275-R279 IonicContact OE2-NH2 3.5Å; E275-R279 PolarHBondContact OE2-NH2 3.02Å
276H89.7Confident80.9Confident16 Ų1684.8 Ų84.87%0.07446%0.457CS..Hα-helixtrans-80.2-28.6-177.7-72.5106.8000112.3Y248 F272 C273 A274 R279 N280Y248-H276 AromaticContact CD1-CD2 3.4Å; Y248-H276 VanDerWaalsContact CD1-CD2 3.4Å; Y248-H276 WeakPolarHBondContact CD1-CD2 3.35Å; Y248-H276 AromaticContact CD1-CE1 3.65Å; Y248-H276 AromaticContact CD1-NE2 3.19Å; Y248-H276 WeakPolarHBondContact CD1-NE2 3.44Å; Y248-H276 AromaticContact CD2-CD2 3.51Å; Y248-H276 AromaticContact CE1-CD2 3.69Å; Y248-H276 AromaticContact CE1-NE2 3.32Å; Y248-H276 VanDerWaalsContact CE1-NE2 3.32Å; Y248-H276 WeakPolarHBondContact CE1-NE2 3.41Å; Y248-H276 AromaticContact CE2-CD2 3.81Å; Y248-H276 HydrophobicContact CG-CB 4.39Å; Y248-H276 AromaticContact CG-CD2 3.29Å; Y248-H276 AromaticContact CG-CG 3.68Å; Y248-H276 AromaticContact CG-NE2 3.64Å; Y248-H276 AromaticContact CZ-CD2 3.9Å; Y248-H276 AromaticContact CZ-NE2 3.89Å; F272-H276 HydrophobicContact CB-CB 3.89Å; F272-H276 HydrophobicContact CD1-CB 4.2Å; F272-H276 HydrophobicContact CG-CB 4.33Å; C273-H276 CarbonylContact O-C 3.57Å; C273-H276 WeakPolarHBondContact O-CA 3.34Å; C273-H276 PolarHBondContact O-N 3.48Å; C273-H276 PolarHBondContact SG-ND1 2.87Å; A274-H276 PolarHBondContact O-N 2.89Å; H276-R279 PolarHBondContact CE1-NH1 3.41Å; H276-R279 PolarHBondContact NE2-NH1 3.34Å; H276-N280 WeakPolarHBondContact O-CB 3.47Å; H276-N280 PolarHBondContact O-N 3.15Å
277V89.2Confident81.2Confident78 Ų7882.5 Ų82.547%0.47345%0.449SS..Hα-helixtrans-57.3-52163.4177.90000109.5F272 C273 R279 N280 A281F272-V277 HydrophobicContact CB-CG2 3.81Å; F272-V277 WeakPolarHBondContact O-CG2 3.45Å; C273-V277 PolarHBondContact O-N 3.24Å; V277-R279 PolarHBondContact O-N 3.2Å; V277-N280 PolarHBondContact O-N 2.9Å; V277-A281 WeakPolarHBondContact O-CB 3.45Å; V277-A281 PolarHBondContact O-N 3.47Å
278R86.4Confident81.5Confident155 Ų15580 Ų8059%0.58544%0.442SS*.Hα-helixtrans-62.3-43.2179.4-171.4173.565.891.6-4.5112.9A274 E275 L282A274-R278 WeakPolarHBondContact O-CB 3.41Å; A274-R278 PolarHBondContact O-N 2.73Å; E275-R278 PolarHBondContact O-N 2.74Å; R278-L282 HydrophobicContact CG-CD1 4.36Å; R278-L282 VanDerWaalsContact O-CG 3.3Å; R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.85Å; R278-L282 VanDerWaalsContact O-N 3.08Å
279R87.3Confident81.7Confident106 Ų10679.5 Ų79.540%0.443%0.433SS..Hα-helixtrans-62.7-41.3174.9-73.2173.8-171.8115.914.6111.9E275 H276 V277 L282 A283E275-R279 VanDerWaalsContact O-CG 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.37Å; E275-R279 PolarHBondContact O-N 2.94Å; E275-R279 IonicContact OE2-CZ 3.34Å; E275-R279 IonicContact OE2-NH1 3.78Å; E275-R279 PolarHBondContact OE2-NH1 3.42Å; E275-R279 IonicContact OE2-NH2 3.5Å; E275-R279 PolarHBondContact OE2-NH2 3.02Å; H276-R279 PolarHBondContact CE1-NH1 3.41Å; H276-R279 PolarHBondContact NE2-NH1 3.34Å; V277-R279 PolarHBondContact O-N 3.2Å; R279-L282 PolarHBondContact O-N 3.16Å; R279-A283 PolarHBondContact O-N 3.46Å
280N86.1Confident81.2Confident69 Ų6986 Ų8637%0.36945%0.451SS..Hα-helixtrans-69-44179.2-167.321.4000111.7H276 V277 L282 A283 L284H276-N280 WeakPolarHBondContact O-CB 3.47Å; H276-N280 PolarHBondContact O-N 3.15Å; V277-N280 PolarHBondContact O-N 2.9Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.37Å; N280-A283 WeakPolarHBondContact O-CB 3.3Å; N280-A283 PolarHBondContact O-N 2.89Å; N280-A283 VanDerWaalsContact O-N 3.09Å; N280-L284 WeakPolarHBondContact O-CG 3.32Å; N280-L284 PolarHBondContact O-N 3.31Å
281A86.2Confident79.9Confident55 Ų5586.7 Ų86.746%0.45546%0.455SS..Hα-helixtrans-57.9-42.8174.300000112.3V277 L284 H285V277-A281 WeakPolarHBondContact O-CB 3.45Å; V277-A281 PolarHBondContact O-N 3.47Å; A281-L284 PolarHBondContact O-N 3.47Å; A281-H285 WeakPolarHBondContact O-CB 3.31Å; A281-H285 PolarHBondContact O-N 2.72Å
282L86.6Confident77.8Confident98 Ų9891.2 Ų91.251%0.51348%0.478SS..Hα-helixtrans-64.6-37.9174.1-71.5169.9000112.6R278 R279 N280 A286R278-L282 HydrophobicContact CG-CD1 4.36Å; R278-L282 VanDerWaalsContact O-CG 3.3Å; R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.85Å; R278-L282 VanDerWaalsContact O-N 3.08Å; R279-L282 PolarHBondContact O-N 3.16Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.37Å; L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 3.22Å
283A84Confident76Confident50 Ų5095.3 Ų95.341%0.41351%0.51SS..Hα-helixtrans-66.7-44.3175.800000112.2R279 N280 A286 Q287R279-A283 PolarHBondContact O-N 3.46Å; N280-A283 WeakPolarHBondContact O-CB 3.3Å; N280-A283 PolarHBondContact O-N 2.89Å; N280-A283 VanDerWaalsContact O-N 3.09Å; A283-A286 PolarHBondContact O-N 3.08Å; A283-Q287 WeakPolarHBondContact O-CG 3.4Å; A283-Q287 PolarHBondContact O-N 3Å
284L80.8Confident74.2Confident102 Ų10297.8 Ų97.853%0.53454%0.536SS..Hα-helixtrans-61.5-44.3175-68.5171.3000111.4N280 A281 A286 Q287 M288N280-L284 WeakPolarHBondContact O-CG 3.32Å; N280-L284 PolarHBondContact O-N 3.31Å; A281-L284 PolarHBondContact O-N 3.47Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.01Å; L284-Q287 PolarHBondContact O-N 2.96Å; L284-M288 WeakPolarHBondContact O-CG 3.43Å; L284-M288 PolarHBondContact O-N 3.45Å
285H78.2Confident72.6Confident107 Ų10796.9 Ų96.950%0.49552%0.523SS..Hα-helixtrans-62.7-36.2175.3-176.9-135.8000112.5A281 M288 K289A281-H285 WeakPolarHBondContact O-CB 3.31Å; A281-H285 PolarHBondContact O-N 2.72Å; H285-M288 PolarHBondContact O-N 2.94Å; H285-K289 WeakPolarHBondContact NE2-CE 3.19Å; H285-K289 WeakPolarHBondContact O-CG 3.49Å; H285-K289 PolarHBondContact O-N 3.18Å; H285-K289 VanDerWaalsContact O-N 3.08Å
286A77.9Confident70.9Confident60 Ų6098.8 Ų98.850%0.49653%0.533SS..Hα-helixtrans-67.7-35.917400000113.1L282 A283 L284L282-A286 WeakPolarHBondContact O-CB 3.46Å; L282-A286 PolarHBondContact O-N 3.22Å; A283-A286 PolarHBondContact O-N 3.08Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 3.01Å
287Q73.9Confident69.4Low127 Ų12799.6 Ų99.659%0.59355%0.546SS*.Hα-helixtrans-68.2-43.5173.1-63.8-72.626.100111.5A283 L284 K289 K290 T291A283-Q287 WeakPolarHBondContact O-CG 3.4Å; A283-Q287 PolarHBondContact O-N 3Å; L284-Q287 PolarHBondContact O-N 2.96Å; Q287-K289 VanDerWaalsContact C-N 3.26Å; Q287-K289 PolarHBondContact O-N 3.27Å; Q287-K290 WeakPolarHBondContact O-CA 3.32Å; Q287-K290 VanDerWaalsContact O-CB 3.32Å; Q287-K290 WeakPolarHBondContact O-CB 3.4Å; Q287-K290 PolarHBondContact O-N 2.81Å; Q287-T291 PolarHBondContact O-N 2.73Å
288M65.3Low67.9Low134 Ų134102 Ų10266%0.6655%0.552SS**Hα-helixtrans-61-31.9176.5-71.7-71.1161.700113L284 H285 K290 T291L284-M288 WeakPolarHBondContact O-CG 3.43Å; L284-M288 PolarHBondContact O-N 3.45Å; H285-M288 PolarHBondContact O-N 2.94Å; M288-K290 PolarHBondContact O-N 3.03Å; M288-T291 PolarHBondContact O-OG1 3.3Å
289K62.3Low66.6Low136 Ų13697.7 Ų97.759%0.59154%0.543SS*.THydrogen-bonded Turntrans-72.8-10.3171.8-75.2-167.6172.8-160.90114.3H285 Q287H285-K289 WeakPolarHBondContact NE2-CE 3.19Å; H285-K289 WeakPolarHBondContact O-CG 3.49Å; H285-K289 PolarHBondContact O-N 3.18Å; H285-K289 VanDerWaalsContact O-N 3.08Å; Q287-K289 VanDerWaalsContact C-N 3.26Å; Q287-K289 PolarHBondContact O-N 3.27Å
290K57.5Low65.2Low175 Ų17595.4 Ų95.476%0.76154%0.538SS*.THydrogen-bonded Turntrans-99-16.2-177-146.1171.7-172.9-179.50113.5Q287 M288Q287-K290 WeakPolarHBondContact O-CA 3.32Å; Q287-K290 VanDerWaalsContact O-CB 3.32Å; Q287-K290 WeakPolarHBondContact O-CB 3.4Å; Q287-K290 PolarHBondContact O-N 2.81Å; M288-K290 PolarHBondContact O-N 3.03Å
291T50.9Low63.9Low114 Ų11496 Ų9670%0.69954%0.542SS*.SBendtrans-93.4-1.3176.8500000114Q287 M288Q287-T291 PolarHBondContact O-N 2.73Å; M288-T291 PolarHBondContact O-OG1 3.3Å
292N39.3Very low62.4Low110 Ų11097.2 Ų97.259%0.58855%0.545SS*.  trans-116.7102.5-177.8-169.5-11.2000111.8G294N292-G294 PolarHBondContact O-N 2.88Å
293P48.6Very low61.1Low136 Ų13697.1 Ų97.188%0.88354%0.542SS*.SBendtrans-78.464.2-177.933.5-36.2000112.5
294G51.9Low59.8Low56 Ų5698 Ų9858%0.57754%0.54SS*.  trans-169.946.6-177.600000121.1N292N292-G294 PolarHBondContact O-N 2.88Å
295P53.1Low58.5Low65 Ų6595.7 Ų95.742%0.42253%0.532SS..  trans-103.611174.139.5-35.4000115.6G297 E298 T299P295-G297 PolarHBondContact O-N 3.18Å; P295-E298 PolarHBondContact O-N 3.34Å; P295-T299 PolarHBondContact O-N 3.42Å; P295-T299 PolarHBondContact O-OG1 2.85Å
296M53.1Low57.1Low125 Ų12593.4 Ų93.462%0.61653%0.528SS*.Hα-helixtrans-55.5-33.7-171.9-61.2-158-50.100114.5L300M296-L300 WeakPolarHBondContact O-CG 3.5Å; M296-L300 PolarHBondContact O-N 3.25Å; M296-L300 VanDerWaalsContact O-N 3.08Å
297G58Low55.9Low33 Ų3399.1 Ų99.134%0.3454%0.538SS..Hα-helixtrans-65.5-44.3175.500000112.6P295 L301P295-G297 PolarHBondContact O-N 3.18Å; G297-L301 VanDerWaalsContact O-CG 3.3Å; G297-L301 WeakPolarHBondContact O-CG 3.29Å; G297-L301 PolarHBondContact O-N 3.28Å
298E57.8Low54.6Low129 Ų12997 Ų9760%0.60354%0.542SS*.Hα-helixtrans-69.9-39.1176.5-63.4-176.1173.400111.6P295 L300 L301 C302P295-E298 PolarHBondContact O-N 3.34Å; E298-L300 PolarHBondContact O-N 3.14Å; E298-L301 PolarHBondContact O-N 3.34Å; E298-C302 WeakPolarHBondContact O-CB 3.48Å; E298-C302 PolarHBondContact O-N 3.46Å
299T60.4Low53.5Low65 Ų6598.1 Ų98.140%0.39954%0.543SS..Hα-helixtrans-62.2-41.9176.6-53.40000111.8P295 C302 Q303P295-T299 PolarHBondContact O-N 3.42Å; P295-T299 PolarHBondContact O-OG1 2.85Å; T299-C302 PolarHBondContact O-N 2.93Å; T299-Q303 WeakPolarHBondContact O-CB 3.39Å; T299-Q303 VanDerWaalsContact O-CG 3.29Å; T299-Q303 WeakPolarHBondContact O-CG 3.15Å; T299-Q303 PolarHBondContact O-N 2.9Å
300L58.3Low52.6Low57 Ų5796.4 Ų96.430%0.29855%0.545SS..Hα-helixtrans-63.4-39.2173.8-75.3166.3000112.2M296 E298 Q303 L304 R442M296-L300 WeakPolarHBondContact O-CG 3.5Å; M296-L300 PolarHBondContact O-N 3.25Å; M296-L300 VanDerWaalsContact O-N 3.08Å; E298-L300 PolarHBondContact O-N 3.14Å; L300-Q303 PolarHBondContact O-N 3.3Å; L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 2.96Å; L300-R442 HydrophobicContact CD1-CG 4.44Å
301L58.8Low51.7Low83 Ų8396.3 Ų96.344%0.43555%0.547SS..Hα-helixtrans-67.4-41.1175.4-69.3168.5000111.8G297 E298 L304 S305 Y449G297-L301 VanDerWaalsContact O-CG 3.3Å; G297-L301 WeakPolarHBondContact O-CG 3.29Å; G297-L301 PolarHBondContact O-N 3.28Å; E298-L301 PolarHBondContact O-N 3.34Å; L301-L304 PolarHBondContact O-N 2.89Å; L301-S305 WeakPolarHBondContact O-CB 3.48Å; L301-S305 PolarHBondContact O-N 3.29Å; L301-Y449 HydrophobicContact CD2-CD2 3.35Å; L301-Y449 HydrophobicContact CD2-CE2 3.79Å; L301-Y449 HydrophobicContact CD2-CG 4.16Å
302C54.3Low51.2Low79 Ų7998.8 Ų98.853%0.53456%0.555SS.*Hα-helixtrans-60.9-45.2172.5-79.40000111.8E298 T299 L304 S305 S306E298-C302 WeakPolarHBondContact O-CB 3.48Å; E298-C302 PolarHBondContact O-N 3.46Å; T299-C302 PolarHBondContact O-N 2.93Å; C302-L304 PolarHBondContact O-N 3.07Å; C302-S305 WeakPolarHBondContact CA-OG 3.48Å; C302-S305 CarbonylContact O-C 3.53Å; C302-S305 WeakPolarHBondContact O-CA 3.4Å; C302-S305 WeakPolarHBondContact O-CB 3.41Å; C302-S305 PolarHBondContact O-N 2.85Å; C302-S305 PolarHBondContact O-OG 2.76Å; C302-S306 PolarHBondContact O-N 3.46Å; C302-S306 PolarHBondContact O-OG 3.03Å
303Q58.4Low51Low97 Ų9797 Ų9745%0.45356%0.563SS.*Hα-helixtrans-58.7-47.2177.1-77.5168.7-2300111.7T299 L300 S305 S306 Y307T299-Q303 WeakPolarHBondContact O-CB 3.39Å; T299-Q303 VanDerWaalsContact O-CG 3.29Å; T299-Q303 WeakPolarHBondContact O-CG 3.15Å; T299-Q303 PolarHBondContact O-N 2.9Å; L300-Q303 PolarHBondContact O-N 3.3Å; Q303-S305 VanDerWaalsContact C-N 3.29Å; Q303-S305 PolarHBondContact O-N 3.39Å; Q303-S306 WeakPolarHBondContact CA-OG 3.25Å; Q303-S306 PolarHBondContact O-N 2.98Å; Q303-S306 VanDerWaalsContact O-N 3.12Å; Q303-S306 PolarHBondContact O-OG 3.33Å; Q303-Y307 VanDerWaalsContact O-CD2 3.24Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.44Å; Q303-Y307 PolarHBondContact O-N 3Å
304L56.5Low50.1Low68 Ų6896.2 Ų96.236%0.35656%0.56SS.*Hα-helixtrans-60.5-37173.2-68.8169000112.2L300 L301 C302 S306 Y307 A308 L446L300-L304 WeakPolarHBondContact O-CG 3.36Å; L300-L304 PolarHBondContact O-N 2.96Å; L301-L304 PolarHBondContact O-N 2.89Å; C302-L304 PolarHBondContact O-N 3.07Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.29Å; L304-Y307 PolarHBondContact O-N 2.92Å; L304-A308 PolarHBondContact O-N 2.82Å; L304-L446 HydrophobicContact CD1-CD2 4Å
305S54.3Low49.4Very low53 Ų53102.9 Ų102.937%0.37158%0.577SS.*Hα-helixtrans-71.8-19.6176.183.80000114.5L301 C302 Q303 K309L301-S305 WeakPolarHBondContact O-CB 3.48Å; L301-S305 PolarHBondContact O-N 3.29Å; C302-S305 WeakPolarHBondContact CA-OG 3.48Å; C302-S305 CarbonylContact O-C 3.53Å; C302-S305 WeakPolarHBondContact O-CA 3.4Å; C302-S305 WeakPolarHBondContact O-CB 3.41Å; C302-S305 PolarHBondContact O-N 2.85Å; C302-S305 PolarHBondContact O-OG 2.76Å; Q303-S305 VanDerWaalsContact C-N 3.29Å; Q303-S305 PolarHBondContact O-N 3.39Å; S305-K309 WeakPolarHBondContact O-CD 3.32Å; S305-K309 WeakPolarHBondContact O-CG 3.41Å
306S49Very low48.3Very low59 Ų59106.4 Ų106.441%0.41360%0.597SS.*Hα-helixtrans-85.3-36.7171.541.10000112.8C302 Q303 L304 A308 K309 T310C302-S306 PolarHBondContact O-N 3.46Å; C302-S306 PolarHBondContact O-OG 3.03Å; Q303-S306 WeakPolarHBondContact CA-OG 3.25Å; Q303-S306 PolarHBondContact O-N 2.98Å; Q303-S306 VanDerWaalsContact O-N 3.12Å; Q303-S306 PolarHBondContact O-OG 3.33Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.29Å; S306-A308 PolarHBondContact O-N 3.48Å; S306-K309 WeakPolarHBondContact O-CA 3.35Å; S306-K309 WeakPolarHBondContact O-CB 3.33Å; S306-K309 PolarHBondContact O-N 2.93Å; S306-T310 PolarHBondContact O-N 2.76Å; S306-T310 PolarHBondContact O-OG1 3.27Å; S306-T310 VanDerWaalsContact O-OG1 3.13Å
307Y51.8Low47.7Very low180 Ų180105.7 Ų105.771%0.70660%0.602SS**Hα-helixtrans-57.9-35.6172.2-81.7-72.9000111.8Q303 L304 K309Q303-Y307 VanDerWaalsContact O-CD2 3.24Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.44Å; Q303-Y307 PolarHBondContact O-N 3Å; L304-Y307 PolarHBondContact O-N 2.92Å; Y307-K309 PolarHBondContact O-N 3.3Å; Y307-K309 VanDerWaalsContact O-N 3.1Å
308A47.7Very low46.5Very low82 Ų82112 Ų11268%0.67862%0.622SS**THydrogen-bonded Turntrans-71.36.8172.900000115.3L304 S306L304-A308 PolarHBondContact O-N 2.82Å; S306-A308 PolarHBondContact O-N 3.48Å
309K41.8Very low45Very low158 Ų158112 Ų11269%0.68764%0.636SS**THydrogen-bonded Turntrans-127.9-14.9-178-66.9178.7-177.2178.90114.4S305 S306 Y307 E311S305-K309 WeakPolarHBondContact O-CD 3.32Å; S305-K309 WeakPolarHBondContact O-CG 3.41Å; S306-K309 WeakPolarHBondContact O-CA 3.35Å; S306-K309 WeakPolarHBondContact O-CB 3.33Å; S306-K309 PolarHBondContact O-N 2.93Å; Y307-K309 PolarHBondContact O-N 3.3Å; Y307-K309 VanDerWaalsContact O-N 3.1Å; K309-E311 PolarHBondContact O-N 3.21Å
310T44.3Very low44.2Very low101 Ų101113.4 Ų113.462%0.6265%0.649SS**THydrogen-bonded Turntrans-71.6-12-179.3-35.40000113.3S306 L312S306-T310 PolarHBondContact O-N 2.76Å; S306-T310 PolarHBondContact O-OG1 3.27Å; S306-T310 VanDerWaalsContact O-OG1 3.13Å; T310-L312 PolarHBondContact O-N 3.43Å; T310-L312 VanDerWaalsContact O-N 3.16Å
311E38.7Very low43Very low173 Ų173122.3 Ų122.381%0.80868%0.679SS**THydrogen-bonded Turntrans-62.1-15.5178.8-66.2-68.6124.700114.8K309K309-E311 PolarHBondContact O-N 3.21Å
312L38.5Very low42Very low165 Ų165123.2 Ų123.286%0.86469%0.692SS**SBendtrans-101.294.3168.4-99.268.4000109.2T310T310-L312 PolarHBondContact O-N 3.43Å; T310-L312 VanDerWaalsContact O-N 3.16Å
313G36.6Very low41.2Very low73 Ų73125.4 Ų125.475%0.75369%0.694SS**  trans-78.8167.3-165.600000116.7
314S28.3Very low39.9Very low119 Ų119125 Ų12583%0.83271%0.708SS**  trans-142.7113167.459.10000109.2
315Q39Very low39.2Very low197 Ų197126.9 Ų126.992%0.92173%0.726SS**  trans-84.4139.6175.9-68.3-171.60.700111.7
316T28.3Very low38.7Very low139 Ų139133.2 Ų133.285%0.85374%0.742SS**  trans-143.5148.9153.545.70000109.3
317P41.1Very low38.7Very low110 Ų110136.9 Ų136.971%0.71476%0.756SS**  trans-114.5-173.4-153.442.4-33.4000115.6
318E32.3Very low38.3Very low166 Ų166136.1 Ų136.178%0.77676%0.763SS**  trans70110.4163.2-61-5012200120.5
319S27.7Very low37.8Very low127 Ų127139.3 Ų139.389%0.88877%0.769SS**  -159.3126.8122.7-151.50000111.7
320S42.7Very low38.1Very low96 Ų96140.3 Ų140.367%0.67178%0.776SS**  trans-90140.7-173.4176.40000113.7
321R32.6Very low37.8Very low244 Ų244142.5 Ų142.592%0.92178%0.784SS**  trans-159.9152.1155.3-107.3154.1-164.6-153.10.2111.7
322S37.7Very low37.8Very low102 Ų102139 Ų13971%0.71378%0.778SS**  trans-97.1160.6-152-44.90000116.1A324S322-A324 PolarHBondContact O-N 3Å
323E37.1Very low38Very low124 Ų124143.1 Ų143.158%0.57978%0.783SS**G310 helixtrans-53.3-18.1-176.5-145.367.3174.900117.6S325 R326E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.05Å; E323-S325 VanDerWaalsContact O-N 3.15Å; E323-R326 IonicContact OE1-CZ 2.69Å; E323-R326 IonicContact OE1-NE 2.84Å; E323-R326 IonicContact OE1-NH2 3.85Å; E323-R326 PolarHBondContact OE1-NH2 3.03Å; E323-R326 IonicContact OE2-CZ 3.16Å; E323-R326 IonicContact OE2-NE 3.59Å; E323-R326 PolarHBondContact OE2-NE 3.02Å; E323-R326 IonicContact OE2-NH2 3.19Å; E323-R326 PolarHBondContact OE2-NH2 2.99Å
324A32.5Very low37.7Very low89 Ų89144.3 Ų144.374%0.73678%0.779SS**G310 helixtrans-75.2-4.6-161.200000116.1S322S322-A324 PolarHBondContact O-N 3Å
325S40.3Very low38.6Very low107 Ų107145.1 Ų145.175%0.74877%0.774SS**G310 helixtrans-1008.7-176.1-60.90000114.9E323E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.05Å; E323-S325 VanDerWaalsContact O-N 3.15Å
326R45.7Very low38.3Very low187 Ų187138.9 Ų138.971%0.70676%0.763SS**SBendtrans-96.68.3-170.4-50.1-171.2-159.9-150.613.7116.2E323E323-R326 IonicContact OE1-CZ 2.69Å; E323-R326 IonicContact OE1-NE 2.84Å; E323-R326 IonicContact OE1-NH2 3.85Å; E323-R326 PolarHBondContact OE1-NH2 3.03Å; E323-R326 IonicContact OE2-CZ 3.16Å; E323-R326 IonicContact OE2-NE 3.59Å; E323-R326 PolarHBondContact OE2-NE 3.02Å; E323-R326 IonicContact OE2-NH2 3.19Å; E323-R326 PolarHBondContact OE2-NH2 2.99Å
327I48Very low38.9Very low136 Ų136141.5 Ų141.570%0.69777%0.765SS**SBendtrans-114.2-9.2-154.2-64.3177.2000115.3
328L42.9Very low38.7Very low164 Ų164144.5 Ų144.586%0.85977%0.77SS**SBendtrans-135.221.8-170.4-71.3177.3000116.9
329D36.8Very low38.8Very low149 Ų149144.6 Ų144.680%0.79777%0.77SS**  trans-116.130.6175.6-71.4-68.2000113.1D331D329-D331 VanDerWaalsContact C-N 3.33Å; D329-D331 PolarHBondContact O-N 2.84Å; D329-D331 VanDerWaalsContact O-N 3.1Å
330E48.3Very low39.3Very low178 Ų178143.9 Ų143.983%0.83276%0.763SS**  trans-83.567.7176.9-172.680.6141.900111.3
331D37.7Very low39.2Very low148 Ų148144.4 Ų144.479%0.79176%0.757SS**SBendtrans-173.457.5154.1-110.1-22.7000112.4D329D329-D331 VanDerWaalsContact C-N 3.33Å; D329-D331 PolarHBondContact O-N 2.84Å; D329-D331 VanDerWaalsContact O-N 3.1Å
332S39.2Very low40Very low99 Ų99136.5 Ų136.569%0.69274%0.736SS**  trans-146.684.8174.8-1680000111.9S334S332-S334 VanDerWaalsContact C-N 3.29Å; S332-S334 PolarHBondContact O-N 2.73Å
333W42.3Very low40.2Very low252 Ų252136.8 Ų136.896%0.95573%0.733SS**  trans-75.975.2-176.2-73.270.4000112
334S32.1Very low40.3Very low97 Ų97137.3 Ų137.368%0.67874%0.74SS**  trans-121.8137.6-178.8178.60000112.6S332 G336S332-S334 VanDerWaalsContact C-N 3.29Å; S332-S334 PolarHBondContact O-N 2.73Å; S334-G336 PolarHBondContact O-N 3.02Å
335D47.3Very low41Very low136 Ų136140.2 Ų140.273%0.72774%0.738SS**  trans-4.9103.1171.1-150.811.7000116.2K435D335-K435 IonicContact OD2-NZ 3.27Å
336G32.6Very low41.2Very low67 Ų67140.2 Ų140.269%0.69173%0.734SS**  trans-122.9120.4174.800000111.3S334 Q338S334-G336 PolarHBondContact O-N 3.02Å; G336-Q338 PolarHBondContact O-N 3.42Å
337E41Very low41.1Very low193 Ų193140.9 Ų140.990%0.90274%0.737SS**  trans-70126.3-178.5-60.4-162.8138.300111.1E339E337-E339 PolarHBondContact O-N 2.97Å
338Q36.4Very low41.2Very low173 Ų173145.8 Ų145.881%0.80875%0.746SS**  trans-67.1108.9173.3-169.48982.900109.1G336G336-Q338 PolarHBondContact O-N 3.42Å
339E34.9Very low41.1Very low168 Ų168140.7 Ų140.779%0.78573%0.733SS**  trans-44.4134169.6-171.4175.5-16600110.4E337 I341E337-E339 PolarHBondContact O-N 2.97Å; E339-I341 PolarHBondContact O-N 3.3Å
340P37.8Very low41.2Very low112 Ų112139.4 Ų139.473%0.72773%0.727SS**  trans-65.3107.1-171.325.6-34.4000110.6T342P340-T342 PolarHBondContact O-N 3.43Å
341I40.8Very low41.3Very low108 Ų108136.4 Ų136.455%0.55472%0.722SS**  trans-43.7111.5177.7-69.2174.6000109.5E339 Q345E339-I341 PolarHBondContact O-N 3.3Å; I341-Q345 HydrophobicContact CG2-CB 4.22Å
342T48.1Very low41.7Very low78 Ų78135.8 Ų135.848%0.47972%0.719SS.*  trans-68.1147.8177.254.20000109.6P340 D344 Q345P340-T342 PolarHBondContact O-N 3.43Å; T342-D344 PolarHBondContact O-N 2.87Å; T342-D344 VanDerWaalsContact O-N 3.12Å; T342-Q345 PolarHBondContact O-N 3.31Å
343V42.1Very low42.2Very low108 Ų108135.6 Ų135.666%0.65572%0.718SS**Hα-helixtrans-58.5-33.1-169.5177.80000112Q345 T346 W347V343-Q345 VanDerWaalsContact C-N 3.31Å; V343-Q345 PolarHBondContact O-N 2.85Å; V343-T346 PolarHBondContact O-N 3.5Å; V343-W347 VanDerWaalsContact O-CD1 3.3Å
344D40.4Very low42.3Very low134 Ų134132.7 Ų132.772%0.71772%0.715SS**Hα-helixtrans-57.3-38.3175.5-66-47000113.3T342 T346 W347T342-D344 PolarHBondContact O-N 2.87Å; T342-D344 VanDerWaalsContact O-N 3.12Å; D344-T346 PolarHBondContact O-N 3.09Å; D344-W347 PolarHBondContact O-N 3.01Å; D344-W347 VanDerWaalsContact O-N 3.16Å
345Q45.6Very low43Very low150 Ų150132.3 Ų132.370%0.70172%0.717SS**Hα-helixtrans-73.2-12.6-177.6-63.3-17317.300113.8I341 T342 V343I341-Q345 HydrophobicContact CG2-CB 4.22Å; T342-Q345 PolarHBondContact O-N 3.31Å; V343-Q345 VanDerWaalsContact C-N 3.31Å; V343-Q345 PolarHBondContact O-N 2.85Å
346T46.3Very low43Very low107 Ų107133 Ų13366%0.65672%0.721SS**Hα-helixtrans-82.8-20.6173.6-56.50000111.9V343 D344 R348V343-T346 PolarHBondContact O-N 3.5Å; D344-T346 PolarHBondContact O-N 3.09Å; T346-R348 VanDerWaalsContact C-N 3.32Å; T346-R348 PolarHBondContact O-N 3.04Å
347W42.9Very low43.9Very low202 Ų202133.8 Ų133.877%0.76572%0.716SS**  trans-83.472.2176.6-66104.4000111.8V343 D344 G349V343-W347 VanDerWaalsContact O-CD1 3.3Å; D344-W347 PolarHBondContact O-N 3.01Å; D344-W347 VanDerWaalsContact O-N 3.16Å; W347-G349 PolarHBondContact O-N 2.87Å
348R49Very low44.4Very low239 Ų239132.6 Ų132.690%0.90271%0.714SS**  trans-6896.8144.1-88.9-150-81.6-85.18.3107.6T346T346-R348 VanDerWaalsContact C-N 3.32Å; T346-R348 PolarHBondContact O-N 3.04Å
349G40.6Very low45.2Very low57 Ų57128.4 Ų128.459%0.58870%0.698SS**  trans-54140.4157.700000109W347 P351W347-G349 PolarHBondContact O-N 2.87Å; G349-P351 VanDerWaalsContact O-CD 3.29Å; G349-P351 WeakPolarHBondContact O-CD 3.48Å
350D39.2Very low46.3Very low122 Ų122123.5 Ų123.565%0.65268%0.681SS**  trans-74.6112.4179.7-159.1-7.7000108.3D352D350-D352 PolarHBondContact O-N 3.39Å
351P50.5Low47.1Very low114 Ų114124.7 Ų124.774%0.7468%0.682SS**THydrogen-bonded Turntrans-65.1-21.9-172.3-21.634.6000113.5G349G349-P351 VanDerWaalsContact O-CD 3.29Å; G349-P351 WeakPolarHBondContact O-CD 3.48Å
352D47.6Very low47.9Very low135 Ų135127.5 Ų127.572%0.72269%0.693SS**THydrogen-bonded Turntrans-97.99.9-168.5-57.3-25.9000113D350 E354D350-D352 PolarHBondContact O-N 3.39Å; D352-E354 VanDerWaalsContact C-N 3.3Å; D352-E354 PolarHBondContact O-N 3.41Å
353S47.9Very low48.6Very low96 Ų96128.7 Ų128.767%0.67169%0.693SS**  trans-85.110.4-177.5-167.20000114.9A355S353-A355 PolarHBondContact O-N 3.49Å
354E44.8Very low50Low190 Ų190125.5 Ų125.589%0.88867%0.672SS**  trans-85.539.7163.8-65.8-170.2-160.200111.3D352 D356D352-E354 VanDerWaalsContact C-N 3.3Å; D352-E354 PolarHBondContact O-N 3.41Å; E354-D356 PolarHBondContact O-N 2.92Å
355A47.7Very low51.5Low89 Ų89123.6 Ų123.674%0.73667%0.667SS**  trans-75.964.2169.100000110.5S353S353-A355 PolarHBondContact O-N 3.49Å
356D47.8Very low52.8Low151 Ų151117.6 Ų117.681%0.80764%0.64SS**  trans-54.8145166.3-103.5-30.1000110.1E354 I358E354-D356 PolarHBondContact O-N 2.92Å; D356-I358 PolarHBondContact O-N 2.94Å
357S50.7Low54Low84 Ų84116.9 Ų116.959%0.58763%0.627SS**  trans-74.882.2-163.361.60000113.5D359 S360S357-D359 PolarHBondContact O-N 3.19Å; S357-S360 PolarHBondContact O-N 2.9Å; S357-S360 PolarHBondContact OG-OG 3.19Å
358I51.2Low55.7Low167 Ų167115 Ų11586%0.85663%0.627SS**THydrogen-bonded Turntrans-60.4-11.4177.1-152.676.6000114.1D356D356-I358 PolarHBondContact O-N 2.94Å
359D53.9Low56.9Low86 Ų86107 Ų10746%0.4661%0.612SS.*THydrogen-bonded Turntrans-84.1-16.7-174.9-165.545000113.6S357 D361 R387S357-D359 PolarHBondContact O-N 3.19Å; D359-D361 PolarHBondContact O-N 3.07Å; D359-R387 VanDerWaalsContact CG-NH2 3.35Å; D359-R387 IonicContact OD1-NH2 3.09Å; D359-R387 PolarHBondContact OD1-NH2 3.04Å; D359-R387 IonicContact OD2-CZ 3.29Å; D359-R387 IonicContact OD2-NE 3.45Å; D359-R387 IonicContact OD2-NH2 2.66Å; D359-R387 PolarHBondContact OD2-NH2 3.4Å
360S56.7Low58.4Low64 Ų64107.1 Ų107.145%0.44861%0.614SS.*THydrogen-bonded Turntrans-69-33.8-171.9-68.50000114.8S357S357-S360 PolarHBondContact O-N 2.9Å; S357-S360 PolarHBondContact OG-OG 3.19Å
361D55Low60.2Low137 Ų137107.4 Ų107.473%0.73362%0.619SS**THydrogen-bonded Turntrans-97.7-20.3-166.4-62.2-13.1000113.2D359 K367D359-D361 PolarHBondContact O-N 3.07Å; D361-K367 PolarHBondContact O-NZ 3.18Å
362Q57.1Low61.7Low168 Ų168106.5 Ų106.579%0.78560%0.602SS**THydrogen-bonded Turntrans-82.3-25.6-177.8-165.5155.521.800113K367Q362-K367 PolarHBondContact O-NZ 3.43Å
363E62.6Low63.6Low102 Ų102103.6 Ų103.648%0.47759%0.589SS.*SBendtrans-95.3-7-171.6-154.9170.5-102.600115.1P365 R387E363-P365 WeakPolarHBondContact O-CD 3.4Å; E363-R387 IonicContact OE1-CZ 3.05Å; E363-R387 IonicContact OE1-NH1 3.46Å; E363-R387 PolarHBondContact OE1-NH1 3.41Å; E363-R387 IonicContact OE1-NH2 2.75Å; E363-R387 PolarHBondContact OE1-NH2 3.35Å; E363-R387 IonicContact OE2-CZ 3.56Å; E363-R387 IonicContact OE2-NE 3.47Å; E363-R387 IonicContact OE2-NH1 2.63Å; E363-R387 PolarHBondContact OE2-NH1 3.47Å; E363-R387 IonicContact OE2-NH2 3.9Å
364D72.8Confident65.5Low41 Ų41103.1 Ų103.122%0.21959%0.591CS.*  trans-72116.8179.2-151.8-58.8000112.6L366 K367 K384D364-L366 VanDerWaalsContact C-N 3.3Å; D364-L366 WeakPolarHBondContact OD1-CA 3.32Å; D364-L366 WeakPolarHBondContact OD1-CB 3.37Å; D364-L366 PolarHBondContact OD1-N 2.8Å; D364-K367 WeakPolarHBondContact O-CD 3.43Å; D364-K367 WeakPolarHBondContact O-CE 3.32Å; D364-K367 WeakPolarHBondContact O-CG 3.41Å; D364-K384 IonicContact OD2-NZ 3.61Å; D364-K384 PolarHBondContact OD2-NZ 3.47Å
365P71.4Confident67.6Low95 Ų95101.2 Ų101.262%0.61758%0.582SS**G310 helixtrans-72.2-25.4177.4-14.731.5000112.5E363 K367 I380E363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-K367 VanDerWaalsContact C-N 3.31Å; P365-K367 PolarHBondContact O-N 3.46Å; P365-I380 HydrophobicContact CG-CD1 4.11Å; P365-I380 HydrophobicContact CG-CG1 4.47Å
366L73.7Confident69.5Low23 Ų23100.8 Ų100.812%0.1257%0.565CS.*G310 helixtrans-91.621.8-175.8-57.9-178.7000112.8D364 H368 Y372 E376 V377 I380D364-L366 VanDerWaalsContact C-N 3.3Å; D364-L366 WeakPolarHBondContact OD1-CA 3.32Å; D364-L366 WeakPolarHBondContact OD1-CB 3.37Å; D364-L366 PolarHBondContact OD1-N 2.8Å; L366-H368 VanDerWaalsContact C-N 3.32Å; L366-Y372 HydrophobicContact CB-CD1 3.72Å; L366-Y372 HydrophobicContact CB-CE1 3.76Å; L366-Y372 HydrophobicContact CB-CG 4.22Å; L366-Y372 HydrophobicContact CD1-CD1 4.18Å; L366-Y372 HydrophobicContact CD1-CG 4.17Å; L366-Y372 HydrophobicContact CD2-CD1 3.78Å; L366-Y372 HydrophobicContact CD2-CE1 4.34Å; L366-Y372 HydrophobicContact CG-CD1 4.08Å; L366-Y372 WeakPolarHBondContact O-CE1 3.31Å; L366-Y372 PolarHBondContact O-OH 2.97Å; L366-E376 HydrophobicContact CD1-CB 3.91Å; L366-E376 HydrophobicContact CD2-CB 4.25Å; L366-V377 HydrophobicContact CD1-CG2 3.87Å; L366-I380 HydrophobicContact CB-CD1 4.44Å; L366-I380 HydrophobicContact CD1-CD1 3.49Å; L366-I380 VanDerWaalsContact CD1-CD1 3.49Å; L366-I380 HydrophobicContact CD2-CD1 4.37Å; L366-I380 HydrophobicContact CG-CD1 3.45Å; L366-I380 VanDerWaalsContact CG-CD1 3.45Å
367K71.8Confident71.4Confident92 Ų9297.1 Ų97.140%0.455%0.547SS..G310 helixtrans-80.9-7.2175.367.8-166.7168.7-156.60115.1D361 Q362 D364 P365D361-K367 PolarHBondContact O-NZ 3.18Å; Q362-K367 PolarHBondContact O-NZ 3.43Å; D364-K367 WeakPolarHBondContact O-CD 3.43Å; D364-K367 WeakPolarHBondContact O-CE 3.32Å; D364-K367 WeakPolarHBondContact O-CG 3.41Å; P365-K367 VanDerWaalsContact C-N 3.31Å; P365-K367 PolarHBondContact O-N 3.46Å
368H77.2Confident73.3Confident162 Ų16295.4 Ų95.475%0.7554%0.538SS*.SBendtrans-130.8-12.5-175.7-60135000116.2L366 G370L366-H368 VanDerWaalsContact C-N 3.32Å; H368-G370 VanDerWaalsContact C-N 3.3Å; H368-G370 PolarHBondContact O-N 3.44Å
369A75.7Confident75.1Confident71 Ų7192 Ų9259%0.58752%0.522SS*.SBendtrans-78.2-10.6-17200000114.5V371 Y372A369-V371 PolarHBondContact O-N 3.36Å; A369-Y372 HydrophobicContact CB-CD1 4.17Å; A369-Y372 HydrophobicContact CB-CE1 3.67Å
370G70.9Confident76.7Confident61 Ų6189 Ų8963%0.62951%0.505SS*.SBendtrans77.7-31.5168.800000115.7H368 Y372H368-G370 VanDerWaalsContact C-N 3.3Å; H368-G370 PolarHBondContact O-N 3.44Å; G370-Y372 PolarHBondContact N-OH 3.41Å
371V77.5Confident78.2Confident127 Ų12791.5 Ų91.577%0.7751%0.511SS*.SBendtrans-136.5139.9170.5-177.90000107.8A369A369-V371 PolarHBondContact O-N 3.36Å
372Y81.4Confident80.1Confident96 Ų9692.9 Ų92.938%0.37651%0.506SS..  trans-132.5141.7-173.5-44.7-56.7000110.5L366 A369 G370L366-Y372 HydrophobicContact CB-CD1 3.72Å; L366-Y372 HydrophobicContact CB-CE1 3.76Å; L366-Y372 HydrophobicContact CB-CG 4.22Å; L366-Y372 HydrophobicContact CD1-CD1 4.18Å; L366-Y372 HydrophobicContact CD1-CG 4.17Å; L366-Y372 HydrophobicContact CD2-CD1 3.78Å; L366-Y372 HydrophobicContact CD2-CE1 4.34Å; L366-Y372 HydrophobicContact CG-CD1 4.08Å; L366-Y372 WeakPolarHBondContact O-CE1 3.31Å; L366-Y372 PolarHBondContact O-OH 2.97Å; A369-Y372 HydrophobicContact CB-CD1 4.17Å; A369-Y372 HydrophobicContact CB-CE1 3.67Å; G370-Y372 PolarHBondContact N-OH 3.41Å
373T87.9Confident81.7Confident73 Ų7391 Ų9145%0.44850%0.498SS..  trans-78.7155.4169.968.40000110.7E375 E376 V377T373-E375 PolarHBondContact O-N 3.39Å; T373-E376 VanDerWaalsContact CB-OE2 3.3Å; T373-E376 WeakPolarHBondContact CB-OE2 3.48Å; T373-E376 WeakPolarHBondContact CG2-OE2 3.45Å; T373-E376 PolarHBondContact N-OE2 3.43Å; T373-E376 VanDerWaalsContact OG1-CD 3.27Å; T373-E376 VanDerWaalsContact OG1-CG 3.26Å; T373-E376 WeakPolarHBondContact OG1-CG 3.39Å; T373-E376 PolarHBondContact OG1-N 3.07Å; T373-E376 PolarHBondContact OG1-OE2 3.47Å; T373-V377 WeakPolarHBondContact O-CG2 3.41Å; T373-V377 PolarHBondContact O-N 3.4Å
374A86.9Confident83Confident86 Ų8690.5 Ų90.571%0.71149%0.494SS*.Hα-helixtrans-63.4-26.2174.200000112.5A378A374-A378 VanDerWaalsContact O-CB 3.3Å; A374-A378 WeakPolarHBondContact O-CB 3.48Å; A374-A378 PolarHBondContact O-N 3.45Å
375E88.9Confident84Confident151 Ų15193.5 Ų93.571%0.70651%0.509SS*.Hα-helixtrans-71.1-46.8-179.4-62.1-179.9-16900111.8T373 V377 A378 L379T373-E375 PolarHBondContact O-N 3.39Å; E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 3.31Å; E375-A378 PolarHBondContact O-N 3.04Å; E375-L379 WeakPolarHBondContact O-CG 3.45Å; E375-L379 PolarHBondContact O-N 2.83Å
376E87.4Confident85.2Confident79 Ų7993.4 Ų93.437%0.36950%0.502SS..Hα-helixtrans-61-43.1176.4-65.6159120.600111.4L366 T373 A378 L379 I380L366-E376 HydrophobicContact CD1-CB 3.91Å; L366-E376 HydrophobicContact CD2-CB 4.25Å; T373-E376 VanDerWaalsContact CB-OE2 3.3Å; T373-E376 WeakPolarHBondContact CB-OE2 3.48Å; T373-E376 WeakPolarHBondContact CG2-OE2 3.45Å; T373-E376 PolarHBondContact N-OE2 3.43Å; T373-E376 VanDerWaalsContact OG1-CD 3.27Å; T373-E376 VanDerWaalsContact OG1-CG 3.26Å; T373-E376 WeakPolarHBondContact OG1-CG 3.39Å; T373-E376 PolarHBondContact OG1-N 3.07Å; T373-E376 PolarHBondContact OG1-OE2 3.47Å; E376-A378 PolarHBondContact O-N 3.26Å; E376-L379 PolarHBondContact O-N 2.84Å; E376-I380 PolarHBondContact O-N 3.26Å
377V88.4Confident86.1Confident74 Ų7496.5 Ų96.545%0.44851%0.513SS..Hα-helixtrans-63.6-40.9176.31770000111.2L366 T373 E375 M381L366-V377 HydrophobicContact CD1-CG2 3.87Å; T373-V377 WeakPolarHBondContact O-CG2 3.41Å; T373-V377 PolarHBondContact O-N 3.4Å; E375-V377 VanDerWaalsContact C-N 3.34Å; E375-V377 PolarHBondContact O-N 3.31Å; V377-M381 WeakPolarHBondContact O-CB 3.49Å; V377-M381 PolarHBondContact O-N 3.42Å
378A90.6Very high87.1Confident48 Ų4896.1 Ų96.140%0.39752%0.515SS..Hα-helixtrans-66.8-37.5176.500000112.7A374 E375 E376 R382A374-A378 VanDerWaalsContact O-CB 3.3Å; A374-A378 WeakPolarHBondContact O-CB 3.48Å; A374-A378 PolarHBondContact O-N 3.45Å; E375-A378 PolarHBondContact O-N 3.04Å; E376-A378 PolarHBondContact O-N 3.26Å; A378-R382 VanDerWaalsContact O-CB 3.29Å; A378-R382 WeakPolarHBondContact O-CB 3.33Å; A378-R382 PolarHBondContact O-N 2.79Å
379L89.4Confident88Confident97 Ų9794.3 Ų94.351%0.50851%0.506SS..Hα-helixtrans-64-49.4174.3-72.8171.2000111.4E375 E376 M381 R382 E383E375-L379 WeakPolarHBondContact O-CG 3.45Å; E375-L379 PolarHBondContact O-N 2.83Å; E376-L379 PolarHBondContact O-N 2.84Å; L379-M381 VanDerWaalsContact C-N 3.34Å; L379-M381 PolarHBondContact O-N 3.07Å; L379-R382 WeakPolarHBondContact O-CB 3.44Å; L379-R382 PolarHBondContact O-N 3.15Å; L379-R382 VanDerWaalsContact O-N 3.12Å; L379-E383 WeakPolarHBondContact O-CG 3.12Å; L379-E383 PolarHBondContact O-N 3.37Å
380I87.7Confident88.9Confident23 Ų2393.6 Ų93.612%0.11850%0.497CS..Hα-helixtrans-64.2-38.9178.8-73.3156.9000111.7P365 L366 E376 R382 E383 K384P365-I380 HydrophobicContact CG-CD1 4.11Å; P365-I380 HydrophobicContact CG-CG1 4.47Å; L366-I380 HydrophobicContact CB-CD1 4.44Å; L366-I380 HydrophobicContact CD1-CD1 3.49Å; L366-I380 VanDerWaalsContact CD1-CD1 3.49Å; L366-I380 HydrophobicContact CD2-CD1 4.37Å; L366-I380 HydrophobicContact CG-CD1 3.45Å; L366-I380 VanDerWaalsContact CG-CD1 3.45Å; E376-I380 PolarHBondContact O-N 3.26Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-E383 PolarHBondContact O-N 2.95Å; I380-K384 HydrophobicContact CG2-CD 3.9Å; I380-K384 HydrophobicContact CG2-CG 4.42Å; I380-K384 WeakPolarHBondContact O-CB 3.29Å; I380-K384 VanDerWaalsContact O-CG 3.31Å; I380-K384 WeakPolarHBondContact O-CG 3.28Å; I380-K384 PolarHBondContact O-N 3.22Å
381M88.6Confident90Very high116 Ų11695 Ų9557%0.57149%0.489SS*.Hα-helixtrans-63.2-40.9173.2-177.6172.158.300111.7V377 L379 L385V377-M381 WeakPolarHBondContact O-CB 3.49Å; V377-M381 PolarHBondContact O-N 3.42Å; L379-M381 VanDerWaalsContact C-N 3.34Å; L379-M381 PolarHBondContact O-N 3.07Å; M381-L385 HydrophobicContact CG-CD1 4.26Å; M381-L385 WeakPolarHBondContact O-CB 3.19Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.3Å; M381-L385 PolarHBondContact O-N 3.28Å
382R93.7Very high90.9Very high166 Ų16696 Ų9663%0.62648%0.48SS*.Hα-helixtrans-63.4-43.1175.6-178.8-178.9-175.8166.32.1111.9A378 L379 I380 L385 I386A378-R382 VanDerWaalsContact O-CB 3.29Å; A378-R382 WeakPolarHBondContact O-CB 3.33Å; A378-R382 PolarHBondContact O-N 2.79Å; L379-R382 WeakPolarHBondContact O-CB 3.44Å; L379-R382 PolarHBondContact O-N 3.15Å; L379-R382 VanDerWaalsContact O-N 3.12Å; I380-R382 VanDerWaalsContact C-N 3.35Å; R382-L385 PolarHBondContact O-N 2.87Å; R382-I386 HydrophobicContact CG-CD1 4Å; R382-I386 VanDerWaalsContact O-CG1 3.27Å; R382-I386 WeakPolarHBondContact O-CG1 3.44Å; R382-I386 PolarHBondContact O-N 2.97Å
383E91.8Very high91.6Very high129 Ų12995.1 Ų95.160%0.60348%0.481SS*.Hα-helixtrans-67.3-44.4177.3-72.3178.9-178.900112.1L379 I380 L385 I386 R387L379-E383 WeakPolarHBondContact O-CG 3.12Å; L379-E383 PolarHBondContact O-N 3.37Å; I380-E383 PolarHBondContact O-N 2.95Å; E383-L385 VanDerWaalsContact C-N 3.3Å; E383-L385 PolarHBondContact O-N 2.93Å; E383-I386 PolarHBondContact O-N 2.84Å; E383-I386 VanDerWaalsContact O-N 3.1Å; E383-R387 WeakPolarHBondContact O-CB 3.13Å; E383-R387 PolarHBondContact O-N 3.28Å
384K90Very high92Very high90 Ų9095.5 Ų95.539%0.39148%0.481SS..Hα-helixtrans-58.3-39.9173-74.1174180174.80111.7D364 I380 L388D364-K384 IonicContact OD2-NZ 3.61Å; D364-K384 PolarHBondContact OD2-NZ 3.47Å; I380-K384 HydrophobicContact CG2-CD 3.9Å; I380-K384 HydrophobicContact CG2-CG 4.42Å; I380-K384 WeakPolarHBondContact O-CB 3.29Å; I380-K384 VanDerWaalsContact O-CG 3.31Å; I380-K384 WeakPolarHBondContact O-CG 3.28Å; I380-K384 PolarHBondContact O-N 3.22Å; K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 PolarHBondContact O-N 3.48Å
385L93.8Very high92.5Very high105 Ų10596.9 Ų96.955%0.5547%0.472SS..Hα-helixtrans-66.6-38.8173.5-74.4169.8000113.1M381 R382 E383 L388 Q389M381-L385 HydrophobicContact CG-CD1 4.26Å; M381-L385 WeakPolarHBondContact O-CB 3.19Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.3Å; M381-L385 PolarHBondContact O-N 3.28Å; R382-L385 PolarHBondContact O-N 2.87Å; E383-L385 VanDerWaalsContact C-N 3.3Å; E383-L385 PolarHBondContact O-N 2.93Å; L385-L388 PolarHBondContact O-N 3.48Å; L385-Q389 WeakPolarHBondContact O-CB 3.24Å; L385-Q389 PolarHBondContact O-N 3.41Å
386I95.1Very high92.7Very high92 Ų9296 Ų9647%0.47247%0.467SS..Hα-helixtrans-68.3-41.6176.4-69.7164.2000111.2R382 E383 Q389 S390R382-I386 HydrophobicContact CG-CD1 4Å; R382-I386 VanDerWaalsContact O-CG1 3.27Å; R382-I386 WeakPolarHBondContact O-CG1 3.44Å; R382-I386 PolarHBondContact O-N 2.97Å; E383-I386 PolarHBondContact O-N 2.84Å; E383-I386 VanDerWaalsContact O-N 3.1Å; I386-Q389 PolarHBondContact O-N 3.4Å; I386-S390 PolarHBondContact O-N 3.23Å; I386-S390 PolarHBondContact O-OG 3.15Å
387R92.8Very high93.2Very high89 Ų8998 Ų9834%0.33647%0.474SS..Hα-helixtrans-60.7-45.2173-174.1-175.6-178114.1-12.1111D359 E363 E383 Q389 S390 L391D359-R387 VanDerWaalsContact CG-NH2 3.35Å; D359-R387 IonicContact OD1-NH2 3.09Å; D359-R387 PolarHBondContact OD1-NH2 3.04Å; D359-R387 IonicContact OD2-CZ 3.29Å; D359-R387 IonicContact OD2-NE 3.45Å; D359-R387 IonicContact OD2-NH2 2.66Å; D359-R387 PolarHBondContact OD2-NH2 3.4Å; E363-R387 IonicContact OE1-CZ 3.05Å; E363-R387 IonicContact OE1-NH1 3.46Å; E363-R387 PolarHBondContact OE1-NH1 3.41Å; E363-R387 IonicContact OE1-NH2 2.75Å; E363-R387 PolarHBondContact OE1-NH2 3.35Å; E363-R387 IonicContact OE2-CZ 3.56Å; E363-R387 IonicContact OE2-NE 3.47Å; E363-R387 IonicContact OE2-NH1 2.63Å; E363-R387 PolarHBondContact OE2-NH1 3.47Å; E363-R387 IonicContact OE2-NH2 3.9Å; E383-R387 WeakPolarHBondContact O-CB 3.13Å; E383-R387 PolarHBondContact O-N 3.28Å; R387-Q389 PolarHBondContact O-N 3.47Å; R387-S390 PolarHBondContact O-N 2.94Å; R387-S390 PolarHBondContact O-OG 2.98Å; R387-L391 HydrophobicContact CG-CD1 4.26Å; R387-L391 WeakPolarHBondContact O-CB 3.41Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.15Å; R387-L391 PolarHBondContact O-N 2.72Å
388L93.4Very high93.5Very high84 Ų84102.9 Ų102.944%0.4449%0.485SS..Hα-helixtrans-63.2-42.3175.9-174.861.6000111.8K384 L385 L391 Y392K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 PolarHBondContact O-N 3.48Å; L385-L388 PolarHBondContact O-N 3.48Å; L388-L391 PolarHBondContact O-N 3.08Å; L388-Y392 HydrophobicContact CD1-CD2 4.02Å; L388-Y392 HydrophobicContact CD1-CE2 3.59Å; L388-Y392 HydrophobicContact CD2-CE2 4.33Å; L388-Y392 HydrophobicContact CG-CD2 3.97Å; L388-Y392 HydrophobicContact CG-CE2 3.77Å; L388-Y392 VanDerWaalsContact O-CD2 3.28Å; L388-Y392 WeakPolarHBondContact O-CD2 3.47Å; L388-Y392 PolarHBondContact O-N 3.48Å
389Q95.4Very high93.8Very high124 Ų124105.2 Ų105.258%0.57949%0.49SS*.Hα-helixtrans-64.2-43.1177.7-170.5-177.521.900112.2L385 I386 R387 Y392 I393L385-Q389 WeakPolarHBondContact O-CB 3.24Å; L385-Q389 PolarHBondContact O-N 3.41Å; I386-Q389 PolarHBondContact O-N 3.4Å; R387-Q389 PolarHBondContact O-N 3.47Å; Q389-Y392 PolarHBondContact O-N 3.12Å; Q389-I393 HydrophobicContact CG-CD1 4.01Å; Q389-I393 WeakPolarHBondContact O-CB 3.34Å; Q389-I393 VanDerWaalsContact O-CG1 3.27Å; Q389-I393 WeakPolarHBondContact O-CG1 3.42Å; Q389-I393 PolarHBondContact O-N 3.44Å
390S94.4Very high94.1Very high55 Ų55104.8 Ų104.839%0.38549%0.485SS..Hα-helixtrans-66.4-41.2178.566.80000111.8I386 R387 Y392 I393 D394I386-S390 PolarHBondContact O-N 3.23Å; I386-S390 PolarHBondContact O-OG 3.15Å; R387-S390 PolarHBondContact O-N 2.94Å; R387-S390 PolarHBondContact O-OG 2.98Å; S390-Y392 PolarHBondContact O-N 2.96Å; S390-I393 WeakPolarHBondContact O-CB 3.34Å; S390-I393 PolarHBondContact O-N 2.77Å; S390-D394 PolarHBondContact O-N 2.88Å
391L94.5Very high94.4Very high90 Ų90108 Ų10847%0.47150%0.499SS..Hα-helixtrans-59.8-45.2173.7-71.5170000112.3R387 L388 D394 Q395R387-L391 HydrophobicContact CG-CD1 4.26Å; R387-L391 WeakPolarHBondContact O-CB 3.41Å; R387-L391 VanDerWaalsContact O-CG 3.25Å; R387-L391 WeakPolarHBondContact O-CG 3.15Å; R387-L391 PolarHBondContact O-N 2.72Å; L388-L391 PolarHBondContact O-N 3.08Å; L391-D394 PolarHBondContact O-N 3.34Å; L391-Q395 WeakPolarHBondContact O-CG 3.42Å; L391-Q395 PolarHBondContact O-N 2.68Å
392Y96.6Very high94.8Very high149 Ų149105.1 Ų105.158%0.58449%0.486SS*.Hα-helixtrans-63.9-39.6174.5-84.3-59.1000112.9L388 Q389 S390 D394 Q395 F396L388-Y392 HydrophobicContact CD1-CD2 4.02Å; L388-Y392 HydrophobicContact CD1-CE2 3.59Å; L388-Y392 HydrophobicContact CD2-CE2 4.33Å; L388-Y392 HydrophobicContact CG-CD2 3.97Å; L388-Y392 HydrophobicContact CG-CE2 3.77Å; L388-Y392 VanDerWaalsContact O-CD2 3.28Å; L388-Y392 WeakPolarHBondContact O-CD2 3.47Å; L388-Y392 PolarHBondContact O-N 3.48Å; Q389-Y392 PolarHBondContact O-N 3.12Å; S390-Y392 PolarHBondContact O-N 2.96Å; Y392-D394 VanDerWaalsContact C-N 3.3Å; Y392-D394 PolarHBondContact O-N 2.91Å; Y392-Q395 PolarHBondContact O-N 3.24Å; Y392-F396 WeakPolarHBondContact O-CB 3.45Å; Y392-F396 PolarHBondContact O-N 2.98Å
393I95.9Very high95Very high77 Ų77102.9 Ų102.940%0.39549%0.486SS..Hα-helixtrans-60.6-41.1174.6-75.8167.5000110.6Q389 S390 F396 K397Q389-I393 HydrophobicContact CG-CD1 4.01Å; Q389-I393 WeakPolarHBondContact O-CB 3.34Å; Q389-I393 VanDerWaalsContact O-CG1 3.27Å; Q389-I393 WeakPolarHBondContact O-CG1 3.42Å; Q389-I393 PolarHBondContact O-N 3.44Å; S390-I393 WeakPolarHBondContact O-CB 3.34Å; S390-I393 PolarHBondContact O-N 2.77Å; I393-F396 PolarHBondContact O-N 3.16Å; I393-K397 HydrophobicContact CG2-CD 4.43Å; I393-K397 VanDerWaalsContact CG2-CE 3.49Å; I393-K397 WeakPolarHBondContact O-CG 3.45Å; I393-K397 PolarHBondContact O-N 2.96Å
394D96.7Very high95.2Very high81 Ų81102.3 Ų102.343%0.43348%0.481SS..Hα-helixtrans-76.5-34.9-179.1-74.8-8.1000113.1S390 L391 Y392 F396 K397 R398S390-D394 PolarHBondContact O-N 2.88Å; L391-D394 PolarHBondContact O-N 3.34Å; Y392-D394 VanDerWaalsContact C-N 3.3Å; Y392-D394 PolarHBondContact O-N 2.91Å; D394-F396 VanDerWaalsContact C-N 3.31Å; D394-F396 PolarHBondContact O-N 3.36Å; D394-K397 PolarHBondContact O-N 3.33Å; D394-K397 VanDerWaalsContact OD1-CD 3.29Å; D394-K397 WeakPolarHBondContact OD1-CD 3.46Å; D394-K397 WeakPolarHBondContact OD1-CE 3.36Å; D394-K397 IonicContact OD1-NZ 2.73Å; D394-K397 PolarHBondContact OD1-NZ 3.15Å; D394-R398 WeakPolarHBondContact O-CB 3.43Å; D394-R398 PolarHBondContact O-N 2.94Å
395Q96.5Very high95.5Very high115 Ų115100.2 Ų100.254%0.53747%0.473SS..Hα-helixtrans-57.7-44.3165.6-72.4-173.333.600111.2L391 Y392 R398 L399L391-Q395 WeakPolarHBondContact O-CG 3.42Å; L391-Q395 PolarHBondContact O-N 2.68Å; Y392-Q395 PolarHBondContact O-N 3.24Å; Q395-R398 PolarHBondContact O-N 3.39Å; Q395-L399 WeakPolarHBondContact O-CG 3.48Å; Q395-L399 PolarHBondContact O-N 3.41Å
396F94.8Very high95.5Very high134 Ų134101.8 Ų101.859%0.58848%0.476SS*.Hα-helixtrans-65.1-41.8176.9-174.3-98.8000112.3Y392 I393 D394 R398 L399 Q400Y392-F396 WeakPolarHBondContact O-CB 3.45Å; Y392-F396 PolarHBondContact O-N 2.98Å; I393-F396 PolarHBondContact O-N 3.16Å; D394-F396 VanDerWaalsContact C-N 3.31Å; D394-F396 PolarHBondContact O-N 3.36Å; F396-R398 PolarHBondContact O-N 3.1Å; F396-L399 PolarHBondContact O-N 3.26Å; F396-Q400 WeakPolarHBondContact O-CB 3.16Å; F396-Q400 PolarHBondContact O-N 3.08Å
397K96.3Very high95.5Very high121 Ų121103.3 Ų103.353%0.52648%0.479SS..Hα-helixtrans-58.2-45.4171.7-71.1172.4-164.2156.90111.4I393 D394 Q400 H401I393-K397 HydrophobicContact CG2-CD 4.43Å; I393-K397 VanDerWaalsContact CG2-CE 3.49Å; I393-K397 WeakPolarHBondContact O-CG 3.45Å; I393-K397 PolarHBondContact O-N 2.96Å; D394-K397 PolarHBondContact O-N 3.33Å; D394-K397 VanDerWaalsContact OD1-CD 3.29Å; D394-K397 WeakPolarHBondContact OD1-CD 3.46Å; D394-K397 WeakPolarHBondContact OD1-CE 3.36Å; D394-K397 IonicContact OD1-NZ 2.73Å; D394-K397 PolarHBondContact OD1-NZ 3.15Å; K397-Q400 PolarHBondContact O-N 3.13Å; K397-H401 PolarHBondContact O-N 3.45Å
398R96.6Very high95.7Very high176 Ų176106.3 Ų106.366%0.66449%0.49SS*.Hα-helixtrans-60.4-48.3177.3-178.2179.1-179.6-111.46111.5D394 Q395 F396 Q400 H401 L402D394-R398 WeakPolarHBondContact O-CB 3.43Å; D394-R398 PolarHBondContact O-N 2.94Å; Q395-R398 PolarHBondContact O-N 3.39Å; F396-R398 PolarHBondContact O-N 3.1Å; R398-Q400 VanDerWaalsContact C-N 3.34Å; R398-Q400 PolarHBondContact O-N 3.34Å; R398-H401 PolarHBondContact O-N 2.96Å; R398-L402 HydrophobicContact CG-CD1 4.17Å; R398-L402 WeakPolarHBondContact O-CG 3.45Å; R398-L402 PolarHBondContact O-N 3.45Å
399L96.8Very high95.7Very high97 Ų97108 Ų10851%0.50849%0.491SS..Hα-helixtrans-60.9-42.2175.6-71.2170.5000111.7Q395 F396 H401 L402 L403Q395-L399 WeakPolarHBondContact O-CG 3.48Å; Q395-L399 PolarHBondContact O-N 3.41Å; F396-L399 PolarHBondContact O-N 3.26Å; L399-H401 PolarHBondContact O-N 3.44Å; L399-L402 PolarHBondContact O-N 3.12Å; L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.7Å
400Q94.6Very high95.6Very high87 Ų87108.7 Ų108.741%0.40749%0.489SS..Hα-helixtrans-64.9-37.8176.5-159.5-161.574.600112.2F396 K397 R398 K404F396-Q400 WeakPolarHBondContact O-CB 3.16Å; F396-Q400 PolarHBondContact O-N 3.08Å; K397-Q400 PolarHBondContact O-N 3.13Å; R398-Q400 VanDerWaalsContact C-N 3.34Å; R398-Q400 PolarHBondContact O-N 3.34Å; Q400-K404 WeakPolarHBondContact O-CB 3.47Å; Q400-K404 WeakPolarHBondContact O-CD 3.34Å; Q400-K404 VanDerWaalsContact O-CG 3.28Å; Q400-K404 WeakPolarHBondContact O-CG 3.35Å; Q400-K404 PolarHBondContact O-N 3.38Å
401H95Very high95.5Very high91 Ų91109.7 Ų109.742%0.42149%0.49SS..Hα-helixtrans-62.9-50.6171.8-178.9-95.9000111.2K397 R398 L399 L403 K404 E405 R408K397-H401 PolarHBondContact O-N 3.45Å; R398-H401 PolarHBondContact O-N 2.96Å; L399-H401 PolarHBondContact O-N 3.44Å; H401-L403 VanDerWaalsContact C-N 3.27Å; H401-L403 PolarHBondContact O-N 3.06Å; H401-K404 CarbonylContact O-C 3.57Å; H401-K404 WeakPolarHBondContact O-CB 3.42Å; H401-K404 PolarHBondContact O-N 3.49Å; H401-K404 VanDerWaalsContact O-N 3.07Å; H401-E405 IonicContact CE1-OE2 2.81Å; H401-E405 PolarHBondContact CE1-OE2 2.95Å; H401-E405 IonicContact ND1-OE2 2.84Å; H401-E405 PolarHBondContact ND1-OE2 2.87Å; H401-E405 VanDerWaalsContact O-CB 3.31Å; H401-E405 WeakPolarHBondContact O-CB 3.3Å; H401-E405 PolarHBondContact O-N 2.74Å; H401-R408 PolarHBondContact NE2-NH2 3.14Å
402L97.3Very high95.4Very high56 Ų56111.1 Ų111.129%0.29349%0.493SS..Hα-helixtrans-58.9-36.6179.2-71169.9000112.3R398 L399 K406R398-L402 HydrophobicContact CG-CD1 4.17Å; R398-L402 WeakPolarHBondContact O-CG 3.45Å; R398-L402 PolarHBondContact O-N 3.45Å; L399-L402 PolarHBondContact O-N 3.12Å; L402-K406 VanDerWaalsContact O-CB 3.29Å; L402-K406 WeakPolarHBondContact O-CB 3.49Å; L402-K406 VanDerWaalsContact O-CG 3.31Å; L402-K406 WeakPolarHBondContact O-CG 3.42Å; L402-K406 PolarHBondContact O-N 2.89Å
403L95.9Very high95Very high119 Ų119108.2 Ų108.262%0.62349%0.488SS*.Hα-helixtrans-67.5-45.3172.8-73171000112.3L399 H401 E405 K407L399-L403 WeakPolarHBondContact O-CG 3.39Å; L399-L403 PolarHBondContact O-N 2.7Å; H401-L403 VanDerWaalsContact C-N 3.27Å; H401-L403 PolarHBondContact O-N 3.06Å; L403-E405 VanDerWaalsContact C-N 3.29Å; L403-E405 PolarHBondContact O-N 3.21Å; L403-K407 VanDerWaalsContact O-CB 3.3Å; L403-K407 WeakPolarHBondContact O-CB 3.35Å; L403-K407 PolarHBondContact O-N 3.07Å
404K96.4Very high94.5Very high116 Ų116110.7 Ų110.750%0.50449%0.492SS..Hα-helixtrans-60-39.4173.9-74.2164.6172.1172.70111.5Q400 H401 R408Q400-K404 WeakPolarHBondContact O-CB 3.47Å; Q400-K404 WeakPolarHBondContact O-CD 3.34Å; Q400-K404 VanDerWaalsContact O-CG 3.28Å; Q400-K404 WeakPolarHBondContact O-CG 3.35Å; Q400-K404 PolarHBondContact O-N 3.38Å; H401-K404 CarbonylContact O-C 3.57Å; H401-K404 WeakPolarHBondContact O-CB 3.42Å; H401-K404 PolarHBondContact O-N 3.49Å; H401-K404 VanDerWaalsContact O-N 3.07Å; K404-R408 WeakPolarHBondContact O-CG 3.41Å; K404-R408 PolarHBondContact O-N 3.21Å
405E96.2Very high94Very high47 Ų47112.5 Ų112.522%0.2250%0.496CS..Hα-helixtrans-74.1-44.9-179.5-162.6-166.3145.100112.6H401 L403 K407 R408 R409H401-E405 IonicContact CE1-OE2 2.81Å; H401-E405 PolarHBondContact CE1-OE2 2.95Å; H401-E405 IonicContact ND1-OE2 2.84Å; H401-E405 PolarHBondContact ND1-OE2 2.87Å; H401-E405 VanDerWaalsContact O-CB 3.31Å; H401-E405 WeakPolarHBondContact O-CB 3.3Å; H401-E405 PolarHBondContact O-N 2.74Å; L403-E405 VanDerWaalsContact C-N 3.29Å; L403-E405 PolarHBondContact O-N 3.21Å; E405-K407 VanDerWaalsContact C-N 3.28Å; E405-K407 PolarHBondContact O-N 3.02Å; E405-R408 WeakPolarHBondContact O-CB 3.29Å; E405-R408 PolarHBondContact O-N 3.18Å; E405-R408 VanDerWaalsContact O-N 3.15Å; E405-R409 PolarHBondContact O-N 3.21Å; E405-R409 IonicContact OE1-CZ 3.5Å; E405-R409 IonicContact OE1-NH1 2.66Å; E405-R409 PolarHBondContact OE1-NH1 2.85Å; E405-R409 IonicContact OE1-NH2 3.25Å; E405-R409 PolarHBondContact OE1-NH2 2.96Å; E405-R409 IonicContact OE2-NH2 3.69Å
406K95.1Very high93.4Very high138 Ų138110.3 Ų110.360%0.649%0.491SS*.Hα-helixtrans-60.1-37.8170.5-75.1-179.9177.9-176.90111.2L402 Y410L402-K406 VanDerWaalsContact O-CB 3.29Å; L402-K406 WeakPolarHBondContact O-CB 3.49Å; L402-K406 VanDerWaalsContact O-CG 3.31Å; L402-K406 WeakPolarHBondContact O-CG 3.42Å; L402-K406 PolarHBondContact O-N 2.89Å; K406-Y410 WeakPolarHBondContact O-CB 3.49Å; K406-Y410 PolarHBondContact O-N 2.82Å
407K94.4Very high92.7Very high124 Ų124108.9 Ų108.954%0.53949%0.486SS..Hα-helixtrans-64-43171.7-176.1179.4178.9-179.50112.5L403 E405 L411L403-K407 VanDerWaalsContact O-CB 3.3Å; L403-K407 WeakPolarHBondContact O-CB 3.35Å; L403-K407 PolarHBondContact O-N 3.07Å; E405-K407 VanDerWaalsContact C-N 3.28Å; E405-K407 PolarHBondContact O-N 3.02Å; K407-L411 HydrophobicContact CG-CD1 4.19Å; K407-L411 WeakPolarHBondContact O-CG 3.46Å; K407-L411 PolarHBondContact O-N 3.24Å
408R95.9Very high91.6Very high151 Ų151110 Ų11057%0.5749%0.493SS*.Hα-helixtrans-60-51.3174.1-77.9-173.7-70.2171.5-0.8111.3H401 K404 E405 Y410 L411 H412H401-R408 PolarHBondContact NE2-NH2 3.14Å; K404-R408 WeakPolarHBondContact O-CG 3.41Å; K404-R408 PolarHBondContact O-N 3.21Å; E405-R408 WeakPolarHBondContact O-CB 3.29Å; E405-R408 PolarHBondContact O-N 3.18Å; E405-R408 VanDerWaalsContact O-N 3.15Å; R408-Y410 PolarHBondContact O-N 3.42Å; R408-L411 PolarHBondContact O-N 3.12Å; R408-H412 WeakPolarHBondContact O-CB 3.35Å; R408-H412 PolarHBondContact O-N 3.14Å
409R95.3Very high90.8Very high120 Ų120106.7 Ų106.745%0.45349%0.485SS..Hα-helixtrans-56.8-49.4175.5-81.5-169.8-79.5-102-8.8112E405 L411 H412 N413E405-R409 PolarHBondContact O-N 3.21Å; E405-R409 IonicContact OE1-CZ 3.5Å; E405-R409 IonicContact OE1-NH1 2.66Å; E405-R409 PolarHBondContact OE1-NH1 2.85Å; E405-R409 IonicContact OE1-NH2 3.25Å; E405-R409 PolarHBondContact OE1-NH2 2.96Å; E405-R409 IonicContact OE2-NH2 3.69Å; R409-L411 PolarHBondContact O-N 3.07Å; R409-H412 PolarHBondContact O-N 3.39Å; R409-N413 WeakPolarHBondContact O-CB 3.45Å; R409-N413 PolarHBondContact O-N 3.35Å; R409-N413 PolarHBondContact O-OD1 3.21Å; R409-N413 VanDerWaalsContact O-OD1 3.07Å
410Y92.4Very high89.7Confident138 Ų138105.1 Ų105.154%0.54149%0.486SS..Hα-helixtrans-58.1-44.5178.1173.5-102000112.8K406 R408 R414K406-Y410 WeakPolarHBondContact O-CB 3.49Å; K406-Y410 PolarHBondContact O-N 2.82Å; R408-Y410 PolarHBondContact O-N 3.42Å; Y410-R414 WeakPolarHBondContact O-CB 3.48Å; Y410-R414 PolarHBondContact O-N 3.43Å
411L92.4Very high88.2Confident77 Ų77106.2 Ų106.240%0.40349%0.494SS..Hα-helixtrans-68.9-33.5178.3-70.4173.7000112.8K407 R408 R409 K415K407-L411 HydrophobicContact CG-CD1 4.19Å; K407-L411 WeakPolarHBondContact O-CG 3.46Å; K407-L411 PolarHBondContact O-N 3.24Å; R408-L411 PolarHBondContact O-N 3.12Å; R409-L411 PolarHBondContact O-N 3.07Å; L411-K415 WeakPolarHBondContact O-CB 3.44Å; L411-K415 PolarHBondContact O-N 3.29Å; L411-K415 VanDerWaalsContact O-N 3.08Å
412H92.3Very high86.3Confident119 Ų119102.8 Ų102.855%0.55148%0.483SS*.Hα-helixtrans-68.4-52.2173.3-179.371.9000111.4R408 R409 R414 K415 V416R408-H412 WeakPolarHBondContact O-CB 3.35Å; R408-H412 PolarHBondContact O-N 3.14Å; R409-H412 PolarHBondContact O-N 3.39Å; H412-R414 VanDerWaalsContact C-N 3.33Å; H412-R414 PolarHBondContact O-N 2.91Å; H412-K415 CarbonylContact O-C 3.59Å; H412-K415 WeakPolarHBondContact O-CA 3.49Å; H412-K415 VanDerWaalsContact O-CB 3.31Å; H412-K415 WeakPolarHBondContact O-CB 3.3Å; H412-K415 PolarHBondContact O-N 3.21Å; H412-V416 WeakPolarHBondContact O-CG2 3.47Å; H412-V416 PolarHBondContact O-N 3.47Å
413N88.1Confident84Confident89 Ų89103.7 Ų103.748%0.47649%0.494SS..Hα-helixtrans-57.7-45.1177.2-69.629.1000111.2R409 K415 V416 E417R409-N413 WeakPolarHBondContact O-CB 3.45Å; R409-N413 PolarHBondContact O-N 3.35Å; R409-N413 PolarHBondContact O-OD1 3.21Å; R409-N413 VanDerWaalsContact O-OD1 3.07Å; N413-K415 PolarHBondContact O-N 2.81Å; N413-V416 PolarHBondContact O-N 3.47Å; N413-V416 VanDerWaalsContact O-N 3.15Å; N413-E417 WeakPolarHBondContact O-CB 3.48Å; N413-E417 WeakPolarHBondContact O-CG 3.45Å; N413-E417 PolarHBondContact O-N 3.44Å
414R85.6Confident81.9Confident128 Ų128100 Ų10048%0.48348%0.479SS..Hα-helixtrans-64.4-26.4175.5-162.6-165.872.7177.62.9113Y410 H412 H418Y410-R414 WeakPolarHBondContact O-CB 3.48Å; Y410-R414 PolarHBondContact O-N 3.43Å; H412-R414 VanDerWaalsContact C-N 3.33Å; H412-R414 PolarHBondContact O-N 2.91Å; R414-H418 WeakPolarHBondContact O-CB 3.43Å; R414-H418 PolarHBondContact O-N 3.29Å
415K86.9Confident79.7Confident119 Ų119100.8 Ų100.852%0.51749%0.487SS..Hα-helixtrans-72.5-48.5171.2-175.7-170.8163.4-168.50110.1L411 H412 N413 E417 H418 E419L411-K415 WeakPolarHBondContact O-CB 3.44Å; L411-K415 PolarHBondContact O-N 3.29Å; L411-K415 VanDerWaalsContact O-N 3.08Å; H412-K415 CarbonylContact O-C 3.59Å; H412-K415 WeakPolarHBondContact O-CA 3.49Å; H412-K415 VanDerWaalsContact O-CB 3.31Å; H412-K415 WeakPolarHBondContact O-CB 3.3Å; H412-K415 PolarHBondContact O-N 3.21Å; N413-K415 PolarHBondContact O-N 2.81Å; K415-E417 PolarHBondContact O-N 3.01Å; K415-H418 CarbonylContact O-C 3.52Å; K415-H418 WeakPolarHBondContact O-CA 3.38Å; K415-H418 WeakPolarHBondContact O-CB 3.24Å; K415-H418 PolarHBondContact O-N 3.01Å; K415-E419 WeakPolarHBondContact CE-OE1 3.48Å; K415-E419 WeakPolarHBondContact CE-OE2 3.47Å; K415-E419 IonicContact NZ-OE1 3.74Å; K415-E419 PolarHBondContact NZ-OE1 2.89Å; K415-E419 IonicContact NZ-OE2 2.74Å; K415-E419 PolarHBondContact O-N 2.91Å
416V83.9Confident77.3Confident70 Ų70105.9 Ų105.942%0.42452%0.515SS..Hα-helixtrans-60.8-43.6177.3174.80000111.4H412 N413 H418 E419 A420H412-V416 WeakPolarHBondContact O-CG2 3.47Å; H412-V416 PolarHBondContact O-N 3.47Å; N413-V416 PolarHBondContact O-N 3.47Å; N413-V416 VanDerWaalsContact O-N 3.15Å; V416-H418 VanDerWaalsContact C-N 3.3Å; V416-H418 PolarHBondContact O-N 3.25Å; V416-E419 PolarHBondContact O-N 3.37Å; V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 2.83Å
417E78.6Confident75.1Confident104 Ų104103.6 Ų103.649%0.48651%0.513SS..Hα-helixtrans-55.5-43.5169.9-75.8169.2-16200111.6N413 K415 L421N413-E417 WeakPolarHBondContact O-CB 3.48Å; N413-E417 WeakPolarHBondContact O-CG 3.45Å; N413-E417 PolarHBondContact O-N 3.44Å; K415-E417 PolarHBondContact O-N 3.01Å; E417-L421 WeakPolarHBondContact O-CA 3.5Å; E417-L421 WeakPolarHBondContact O-CB 3.23Å; E417-L421 VanDerWaalsContact O-CG 3.31Å; E417-L421 WeakPolarHBondContact O-CG 3.45Å; E417-L421 PolarHBondContact O-N 2.98Å
418H74.6Confident73.3Confident143 Ų14399.6 Ų99.666%0.66251%0.507SS*.Hα-helixtrans-72.3-30.1178.9-170.4-64.9000112.6R414 K415 V416 G422R414-H418 WeakPolarHBondContact O-CB 3.43Å; R414-H418 PolarHBondContact O-N 3.29Å; K415-H418 CarbonylContact O-C 3.52Å; K415-H418 WeakPolarHBondContact O-CA 3.38Å; K415-H418 WeakPolarHBondContact O-CB 3.24Å; K415-H418 PolarHBondContact O-N 3.01Å; V416-H418 VanDerWaalsContact C-N 3.3Å; V416-H418 PolarHBondContact O-N 3.25Å; H418-G422 WeakPolarHBondContact O-CA 3.48Å; H418-G422 PolarHBondContact O-N 3.24Å
419E78.4Confident71.1Confident108 Ų10897 Ų9751%0.50551%0.51SS..Hα-helixtrans-76.2-45.4176.4-73.2171.3148.800110.6K415 V416 S423K415-E419 WeakPolarHBondContact CE-OE1 3.48Å; K415-E419 WeakPolarHBondContact CE-OE2 3.47Å; K415-E419 IonicContact NZ-OE1 3.74Å; K415-E419 PolarHBondContact NZ-OE1 2.89Å; K415-E419 IonicContact NZ-OE2 2.74Å; K415-E419 PolarHBondContact O-N 2.91Å; V416-E419 PolarHBondContact O-N 3.37Å; E419-S423 PolarHBondContact O-N 3.32Å
420A74.8Confident69.2Low63 Ų6399.6 Ų99.652%0.52153%0.527SS..Hα-helixtrans-68.2-53.7176.100000112.9V416 S424V416-A420 WeakPolarHBondContact O-CB 3.46Å; V416-A420 PolarHBondContact O-N 2.83Å; A420-S424 PolarHBondContact O-N 3.07Å
421L62.9Low67.5Low110 Ų11096 Ų9658%0.57653%0.532SS*.Hα-helixtrans-82.3-20.6-176.9-53.9173.6000112.9E417 S424 L425E417-L421 WeakPolarHBondContact O-CA 3.5Å; E417-L421 WeakPolarHBondContact O-CB 3.23Å; E417-L421 VanDerWaalsContact O-CG 3.31Å; E417-L421 WeakPolarHBondContact O-CG 3.45Å; E417-L421 PolarHBondContact O-N 2.98Å; L421-S424 CarbonylContact O-C 3.6Å; L421-S424 WeakPolarHBondContact O-CB 3.45Å; L421-S424 PolarHBondContact O-N 3.31Å; L421-L425 PolarHBondContact O-N 3.2Å
422G54.5Low65.9Low19 Ų1994.2 Ų94.220%0.19652%0.522CS..Hα-helixtrans-70.1-35.9171.300000112H418 S424 L425 L426H418-G422 WeakPolarHBondContact O-CA 3.48Å; H418-G422 PolarHBondContact O-N 3.24Å; G422-S424 VanDerWaalsContact C-N 3.29Å; G422-S424 PolarHBondContact O-N 3.4Å; G422-L425 PolarHBondContact O-N 2.87Å; G422-L425 VanDerWaalsContact O-N 3.07Å; G422-L426 PolarHBondContact O-N 2.83Å
423S49.1Very low64.9Low75 Ų7594.2 Ų94.252%0.52453%0.526SS..Hα-helixtrans-60.6-40.4168.4-162.40000111.3E419 L425 L426 T427E419-S423 PolarHBondContact O-N 3.32Å; S423-L425 PolarHBondContact O-N 3.43Å; S423-L425 VanDerWaalsContact O-N 3.12Å; S423-L426 PolarHBondContact O-N 3.38Å; S423-T427 PolarHBondContact O-N 3.49Å; S423-T427 VanDerWaalsContact O-N 3.14Å
424S51.8Low64.2Low43 Ų4393.6 Ų93.630%0.30153%0.533SS..THydrogen-bonded Turntrans-66.9-6.2173.2-169.80000115.1A420 L421 G422A420-S424 PolarHBondContact O-N 3.07Å; L421-S424 CarbonylContact O-C 3.6Å; L421-S424 WeakPolarHBondContact O-CB 3.45Å; L421-S424 PolarHBondContact O-N 3.31Å; G422-S424 VanDerWaalsContact C-N 3.29Å; G422-S424 PolarHBondContact O-N 3.4Å
425L51.1Low63.8Low131 Ų13193.7 Ų93.769%0.68654%0.537SS*.THydrogen-bonded Turntrans-99.7-9.2168.8-70.8173.6000113.6L421 G422 S423L421-L425 PolarHBondContact O-N 3.2Å; G422-L425 PolarHBondContact O-N 2.87Å; G422-L425 VanDerWaalsContact O-N 3.07Å; S423-L425 PolarHBondContact O-N 3.43Å; S423-L425 VanDerWaalsContact O-N 3.12Å
426L44.8Very low63.1Low155 Ų15592.4 Ų92.481%0.81253%0.533SS*.THydrogen-bonded Turntrans-90.7-32.6169.9-78.5160.7000111.4G422 S423 G428G422-L426 PolarHBondContact O-N 2.83Å; S423-L426 PolarHBondContact O-N 3.38Å; L426-G428 PolarHBondContact O-N 2.84Å
427T50.4Low62.5Low90 Ų9094 Ų9455%0.55253%0.531SS*.SBendtrans-65.2122.3159.6-48.70000108.8S423S423-T427 PolarHBondContact O-N 3.49Å; S423-T427 VanDerWaalsContact O-N 3.14Å
428G54.7Low62.4Low39 Ų3992.9 Ų92.940%0.40253%0.526SS..  trans-60.7163.5-18000000113.2L426 E430 G431L426-G428 PolarHBondContact O-N 2.84Å; G428-E430 PolarHBondContact O-N 2.95Å; G428-G431 PolarHBondContact O-N 3.31Å
429P51.8Low62.2Low97 Ų9790 Ų9063%0.6352%0.515SS*.G310 helixtrans-60.8-13.4-175.826.5-36000114.3G431 L432 R437P429-G431 VanDerWaalsContact C-N 3.33Å; P429-G431 PolarHBondContact O-N 2.92Å; P429-L432 PolarHBondContact O-N 3.48Å; P429-R437 VanDerWaalsContact O-CZ 3.26Å; P429-R437 PolarHBondContact O-NE 3.29Å; P429-R437 PolarHBondContact O-NH2 3.12Å
430E54.7Low62Low175 Ų17587.6 Ų87.682%0.81851%0.505SS*.G310 helixtrans-63.8-33.1-177.1-54.7-165.5150.800113G428 L432 R437G428-E430 PolarHBondContact O-N 2.95Å; E430-L432 PolarHBondContact O-N 3.03Å; E430-R437 PolarHBondContact O-NH2 2.98Å
431G55.7Low62Low62 Ų6290.5 Ų90.564%0.63951%0.506SS*.G310 helixtrans-79.3-9.4-178.800000116.5G428 P429G428-G431 PolarHBondContact O-N 3.31Å; P429-G431 VanDerWaalsContact C-N 3.33Å; P429-G431 PolarHBondContact O-N 2.92Å
432L60Low62.6Low39 Ų3990.5 Ų90.520%0.20450%0.499CS..SBendtrans-96.3138.4-174.3-63.6178000113.1P429 E430 E436 R437 L440P429-L432 PolarHBondContact O-N 3.48Å; E430-L432 PolarHBondContact O-N 3.03Å; L432-E436 WeakPolarHBondContact CA-OE2 3.33Å; L432-E436 HydrophobicContact CB-CB 4.39Å; L432-R437 HydrophobicContact CB-CG 3.95Å; L432-R437 PolarHBondContact O-NE 3.28Å; L432-R437 PolarHBondContact O-NH2 3.41Å; L432-L440 HydrophobicContact CD1-CD1 3.52Å
433L70.8Confident63.4Low119 Ų11993.4 Ų93.462%0.62351%0.509SS*.  trans-64.5156.6178.3-144.8105.9000111.5K435 E436 R437L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 HydrophobicContact CD2-CB 4.22Å; L433-K435 PolarHBondContact O-N 2.69Å; L433-E436 HydrophobicContact CB-CB 4.46Å; L433-E436 HydrophobicContact CB-CG 3.96Å; L433-E436 WeakPolarHBondContact CB-OE2 3.45Å; L433-E436 PolarHBondContact N-OE2 3.29Å; L433-E436 WeakPolarHBondContact O-CB 3.11Å; L433-E436 PolarHBondContact O-N 2.84Å; L433-R437 WeakPolarHBondContact O-CG 3.12Å; L433-R437 PolarHBondContact O-N 2.89Å
434A73.3Confident64.4Low76 Ų7695.1 Ų95.163%0.62851%0.507SS*.Hα-helixtrans-57.9-42.5-179.500000113.1E436 R437 E438A434-E436 VanDerWaalsContact C-N 3.32Å; A434-E436 PolarHBondContact O-N 3.37Å; A434-R437 PolarHBondContact O-N 3.1Å; A434-E438 PolarHBondContact O-N 2.93Å
435K76.3Confident65.3Low130 Ų13095.5 Ų95.557%0.56551%0.51SS*.Hα-helixtrans-58.9-40.6175.2-162.3172.2-177.8178.40111D335 L433 E438 N439D335-K435 IonicContact OD2-NZ 3.27Å; L433-K435 VanDerWaalsContact C-N 3.33Å; L433-K435 HydrophobicContact CD2-CB 4.22Å; L433-K435 PolarHBondContact O-N 2.69Å; K435-E438 PolarHBondContact O-N 3.47Å; K435-N439 WeakPolarHBondContact O-CB 3.44Å; K435-N439 VanDerWaalsContact O-CG 3.22Å; K435-N439 PolarHBondContact O-N 3.45Å; K435-N439 PolarHBondContact O-ND2 3.32Å
436E73.6Confident66.2Low92 Ų9293.7 Ų93.743%0.4350%0.5SS..Hα-helixtrans-72-43.8178.1-58.4178.7127.800112.8L432 L433 A434 E438 N439 L440L432-E436 WeakPolarHBondContact CA-OE2 3.33Å; L432-E436 HydrophobicContact CB-CB 4.39Å; L433-E436 HydrophobicContact CB-CB 4.46Å; L433-E436 HydrophobicContact CB-CG 3.96Å; L433-E436 WeakPolarHBondContact CB-OE2 3.45Å; L433-E436 PolarHBondContact N-OE2 3.29Å; L433-E436 WeakPolarHBondContact O-CB 3.11Å; L433-E436 PolarHBondContact O-N 2.84Å; A434-E436 VanDerWaalsContact C-N 3.32Å; A434-E436 PolarHBondContact O-N 3.37Å; E436-E438 PolarHBondContact O-N 3.26Å; E436-N439 PolarHBondContact O-N 3.48Å; E436-L440 WeakPolarHBondContact O-CB 3.48Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 3.05Å
437R70.8Confident67.1Low104 Ų10493.5 Ų93.539%0.39249%0.488SS..Hα-helixtrans-58.8-36.1174.4-69.9178.5-178.8149.89.7111.3P429 E430 L432 L433 A434 K441P429-R437 VanDerWaalsContact O-CZ 3.26Å; P429-R437 PolarHBondContact O-NE 3.29Å; P429-R437 PolarHBondContact O-NH2 3.12Å; E430-R437 PolarHBondContact O-NH2 2.98Å; L432-R437 HydrophobicContact CB-CG 3.95Å; L432-R437 PolarHBondContact O-NE 3.28Å; L432-R437 PolarHBondContact O-NH2 3.41Å; L433-R437 WeakPolarHBondContact O-CG 3.12Å; L433-R437 PolarHBondContact O-N 2.89Å; A434-R437 PolarHBondContact O-N 3.1Å; R437-K441 VanDerWaalsContact O-CG 3.3Å; R437-K441 WeakPolarHBondContact O-CG 3.31Å; R437-K441 PolarHBondContact O-N 3.13Å
438E76.6Confident67.7Low81 Ų8197.1 Ų97.138%0.37949%0.492SS..Hα-helixtrans-74.9-44.5174.3-152.8-164.9145.500112.5A434 K435 E436 L440 K441 R442A434-E438 PolarHBondContact O-N 2.93Å; K435-E438 PolarHBondContact O-N 3.47Å; E436-E438 PolarHBondContact O-N 3.26Å; E438-L440 VanDerWaalsContact C-N 3.28Å; E438-L440 PolarHBondContact O-N 3.33Å; E438-K441 CarbonylContact O-C 3.57Å; E438-K441 WeakPolarHBondContact O-CA 3.39Å; E438-K441 WeakPolarHBondContact O-CB 2.78Å; E438-K441 PolarHBondContact O-N 2.83Å; E438-R442 WeakPolarHBondContact O-CG 3.45Å; E438-R442 PolarHBondContact O-N 3.03Å; E438-R442 IonicContact OE1-CZ 3.76Å; E438-R442 IonicContact OE1-NE 2.73Å; E438-R442 PolarHBondContact OE1-NE 3.18Å; E438-R442 IonicContact OE1-NH2 3.72Å; E438-R442 PolarHBondContact OE1-NH2 3.21Å; E438-R442 IonicContact OE2-NH2 3.19Å
439N71.3Confident68Low82 Ų82101.5 Ų101.544%0.43950%0.498SS..Hα-helixtrans-58.6-38.6175.4-75.3-17.1000112.2K435 E436 K441 R442 L443K435-N439 WeakPolarHBondContact O-CB 3.44Å; K435-N439 VanDerWaalsContact O-CG 3.22Å; K435-N439 PolarHBondContact O-N 3.45Å; K435-N439 PolarHBondContact O-ND2 3.32Å; E436-N439 PolarHBondContact O-N 3.48Å; N439-K441 PolarHBondContact O-N 3.23Å; N439-R442 PolarHBondContact O-N 3.41Å; N439-L443 VanDerWaalsContact O-CB 3.23Å; N439-L443 WeakPolarHBondContact O-CB 3.4Å; N439-L443 PolarHBondContact O-N 3.4Å
440L73.8Confident68.5Low57 Ų57108.2 Ų108.230%0.29851%0.51SS..Hα-helixtrans-65.5-33.9171.7-77.6174.6000113.1L432 E436 E438 K444L432-L440 HydrophobicContact CD1-CD1 3.52Å; E436-L440 WeakPolarHBondContact O-CB 3.48Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 3.05Å; E438-L440 VanDerWaalsContact C-N 3.28Å; E438-L440 PolarHBondContact O-N 3.33Å; L440-K444 VanDerWaalsContact O-CB 3.3Å; L440-K444 WeakPolarHBondContact O-CB 3.39Å; L440-K444 WeakPolarHBondContact O-CD 3.37Å; L440-K444 WeakPolarHBondContact O-CG 3.37Å; L440-K444 PolarHBondContact O-N 3.19Å
441K73.2Confident69.3Low124 Ų124105.5 Ų105.554%0.53950%0.497SS..Hα-helixtrans-67.4-49.7172-71166.5-174.6177.40110.4R437 E438 N439 L443 K444 C445R437-K441 VanDerWaalsContact O-CG 3.3Å; R437-K441 WeakPolarHBondContact O-CG 3.31Å; R437-K441 PolarHBondContact O-N 3.13Å; E438-K441 CarbonylContact O-C 3.57Å; E438-K441 WeakPolarHBondContact O-CA 3.39Å; E438-K441 WeakPolarHBondContact O-CB 2.78Å; E438-K441 PolarHBondContact O-N 2.83Å; N439-K441 PolarHBondContact O-N 3.23Å; K441-L443 PolarHBondContact O-N 2.77Å; K441-K444 PolarHBondContact O-N 3.43Å; K441-K444 VanDerWaalsContact O-N 3.1Å; K441-C445 PolarHBondContact O-N 3.19Å; K441-C445 PolarHBondContact O-SG 3.03Å; K441-C445 VanDerWaalsContact O-SG 3.39Å
442R75.9Confident70.2Confident110 Ų110109.1 Ų109.142%0.41549%0.492SS..Hα-helixtrans-55.3-47.9175.7-65.6173.7-176.8-1681.6111L300 E438 N439 K444 C445 L446L300-R442 HydrophobicContact CD1-CG 4.44Å; E438-R442 WeakPolarHBondContact O-CG 3.45Å; E438-R442 PolarHBondContact O-N 3.03Å; E438-R442 IonicContact OE1-CZ 3.76Å; E438-R442 IonicContact OE1-NE 2.73Å; E438-R442 PolarHBondContact OE1-NE 3.18Å; E438-R442 IonicContact OE1-NH2 3.72Å; E438-R442 PolarHBondContact OE1-NH2 3.21Å; E438-R442 IonicContact OE2-NH2 3.19Å; N439-R442 PolarHBondContact O-N 3.41Å; R442-K444 PolarHBondContact O-N 3.16Å; R442-C445 WeakPolarHBondContact O-CB 3.2Å; R442-C445 PolarHBondContact O-N 3.15Å; R442-C445 VanDerWaalsContact O-N 3.15Å; R442-L446 WeakPolarHBondContact O-CG 3.31Å; R442-L446 PolarHBondContact O-N 2.84Å
443L71.8Confident71Confident80 Ų80112.8 Ų112.842%0.41950%0.504SS..Hα-helixtrans-66.8-29.8176.8-175.165000113.8N439 K441 R447N439-L443 VanDerWaalsContact O-CB 3.23Å; N439-L443 WeakPolarHBondContact O-CB 3.4Å; N439-L443 PolarHBondContact O-N 3.4Å; K441-L443 PolarHBondContact O-N 2.77Å; L443-R447 WeakPolarHBondContact O-CB 3.2Å; L443-R447 WeakPolarHBondContact O-CG 3.32Å; L443-R447 PolarHBondContact O-N 2.87Å; L443-R447 PolarHBondContact O-NE 3.21Å
444K70Confident71.6Confident111 Ų111109.7 Ų109.748%0.48350%0.501SS..Hα-helixtrans-71.4-35.9171-78.2168.5-178.3177.80111.4L440 K441 R442 R448L440-K444 VanDerWaalsContact O-CB 3.3Å; L440-K444 WeakPolarHBondContact O-CB 3.39Å; L440-K444 WeakPolarHBondContact O-CD 3.37Å; L440-K444 WeakPolarHBondContact O-CG 3.37Å; L440-K444 PolarHBondContact O-N 3.19Å; K441-K444 PolarHBondContact O-N 3.43Å; K441-K444 VanDerWaalsContact O-N 3.1Å; R442-K444 PolarHBondContact O-N 3.16Å; K444-R448 WeakPolarHBondContact O-CG 3.34Å
445C70.6Confident72.1Confident52 Ų52111.1 Ų111.135%0.35150%0.502SS..Hα-helixtrans-68.5-47.3172.3-64.40000112.2K441 R442 R447 R448 Y449K441-C445 PolarHBondContact O-N 3.19Å; K441-C445 PolarHBondContact O-SG 3.03Å; K441-C445 VanDerWaalsContact O-SG 3.39Å; R442-C445 WeakPolarHBondContact O-CB 3.2Å; R442-C445 PolarHBondContact O-N 3.15Å; R442-C445 VanDerWaalsContact O-N 3.15Å; C445-R447 VanDerWaalsContact C-N 3.31Å; C445-R447 PolarHBondContact O-N 2.89Å; C445-R448 WeakPolarHBondContact O-CA 3.41Å; C445-R448 WeakPolarHBondContact O-CB 3.3Å; C445-R448 PolarHBondContact O-N 3.4Å; C445-Y449 PolarHBondContact O-N 3.48Å; C445-Y449 VanDerWaalsContact O-N 3.13Å
446L69.5Low72.3Confident92 Ų92110.6 Ų110.648%0.48250%0.501SS..Hα-helixtrans-61.2-36.2179.9-70.8168.4000112.7L304 R442 R448 Y449L304-L446 HydrophobicContact CD1-CD2 4Å; R442-L446 WeakPolarHBondContact O-CG 3.31Å; R442-L446 PolarHBondContact O-N 2.84Å; L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.02Å; L446-Y449 PolarHBondContact O-N 2.95Å
447R65.5Low73Confident151 Ų151107.9 Ų107.957%0.5750%0.495SS*.Hα-helixtrans-64.4-26.5172.6-81.9-176.7-80.3-161.3-3.1113.7L443 C445L443-R447 WeakPolarHBondContact O-CB 3.2Å; L443-R447 WeakPolarHBondContact O-CG 3.32Å; L443-R447 PolarHBondContact O-N 2.87Å; L443-R447 PolarHBondContact O-NE 3.21Å; C445-R447 VanDerWaalsContact C-N 3.31Å; C445-R447 PolarHBondContact O-N 2.89Å
448R62.3Low73.8Confident167 Ų167108 Ų10863%0.6350%0.502SS*.Hα-helixtrans-80.1-31.7174.5-65176.7175.7-169.7-3112.4K444 C445 L446 R450 Q451 Y453K444-R448 WeakPolarHBondContact O-CG 3.34Å; C445-R448 WeakPolarHBondContact O-CA 3.41Å; C445-R448 WeakPolarHBondContact O-CB 3.3Å; C445-R448 PolarHBondContact O-N 3.4Å; L446-R448 VanDerWaalsContact C-N 3.25Å; L446-R448 PolarHBondContact O-N 3.02Å; R448-R450 VanDerWaalsContact C-N 3.3Å; R448-R450 PolarHBondContact O-N 3.18Å; R448-R450 VanDerWaalsContact O-N 3.16Å; R448-Q451 PolarHBondContact O-N 3.08Å; R448-Y453 HydrophobicContact CB-CE2 3.99Å; R448-Y453 HydrophobicContact CG-CE2 4.35Å; R448-Y453 WeakPolarHBondContact CG-OH 3.41Å
449Y61.4Low74.5Confident131 Ų131109 Ų10951%0.51451%0.509SS..Hα-helixtrans-56.7-34.3-172-179.1-129.2000115.2L301 C445 L446L301-Y449 HydrophobicContact CD2-CD2 3.35Å; L301-Y449 HydrophobicContact CD2-CE2 3.79Å; L301-Y449 HydrophobicContact CD2-CG 4.16Å; C445-Y449 PolarHBondContact O-N 3.48Å; C445-Y449 VanDerWaalsContact O-N 3.13Å; L446-Y449 PolarHBondContact O-N 2.95Å
450R62.1Low75.1Confident238 Ų238109.4 Ų109.490%0.89851%0.509SS*.THydrogen-bonded Turntrans-97.22.1177.4-71.1-174174.7179-0.4114.3R448R448-R450 VanDerWaalsContact C-N 3.3Å; R448-R450 PolarHBondContact O-N 3.18Å; R448-R450 VanDerWaalsContact O-N 3.16Å
451Q70.1Confident75.7Confident117 Ų117114.2 Ų114.255%0.54752%0.523SS..SBendtrans-103119.7-178.7-171.3168.522.500109.5R448 Y453R448-Q451 PolarHBondContact O-N 3.08Å; Q451-Y453 HydrophobicContact CB-CE1 4.45Å; Q451-Y453 HydrophobicContact CB-CE2 3.98Å; Q451-Y453 HydrophobicContact CG-CE1 3.89Å; Q451-Y453 HydrophobicContact CG-CE2 4.28Å; Q451-Y453 WeakPolarHBondContact O-CD2 3.5Å; Q451-Y453 WeakPolarHBondContact O-CE2 3.48Å; Q451-Y453 PolarHBondContact OE1-OH 3.37Å
452R74.6Confident76.6Confident138 Ų138112.7 Ų112.752%0.52152%0.518SS..  trans-68.8142.5172.5-61.9-176.5-171.9-160.9-0.7109.4E456 A457R452-E456 HydrophobicContact CB-CB 4.07Å; R452-E456 HydrophobicContact CG-CB 4.44Å; R452-A457 HydrophobicContact CB-CB 4.35Å; R452-A457 WeakPolarHBondContact O-CB 3.47Å
453Y77.6Confident77.2Confident116 Ų116111.1 Ų111.146%0.45552%0.517SS..  trans-127.8165.6178.5-64.9-71.5000111.1R448 Q451 V455 E456R448-Y453 HydrophobicContact CB-CE2 3.99Å; R448-Y453 HydrophobicContact CG-CE2 4.35Å; R448-Y453 WeakPolarHBondContact CG-OH 3.41Å; Q451-Y453 HydrophobicContact CB-CE1 4.45Å; Q451-Y453 HydrophobicContact CB-CE2 3.98Å; Q451-Y453 HydrophobicContact CG-CE1 3.89Å; Q451-Y453 HydrophobicContact CG-CE2 4.28Å; Q451-Y453 WeakPolarHBondContact O-CD2 3.5Å; Q451-Y453 WeakPolarHBondContact O-CE2 3.48Å; Q451-Y453 PolarHBondContact OE1-OH 3.37Å; Y453-V455 PolarHBondContact O-N 2.95Å; Y453-E456 PolarHBondContact O-N 3.31Å
454G84.1Confident77.9Confident55 Ų55112.6 Ų112.657%0.56752%0.52SS*.Hα-helixtrans55.1-135.4177.800000113.4E456 A457 L458G454-E456 VanDerWaalsContact C-N 3.32Å; G454-E456 PolarHBondContact O-N 2.91Å; G454-A457 WeakPolarHBondContact O-CB 3.49Å; G454-A457 PolarHBondContact O-N 3.28Å; G454-A457 VanDerWaalsContact O-N 3.14Å; G454-L458 PolarHBondContact O-N 2.77Å
455V83.3Confident78.7Confident106 Ų106110.4 Ų110.464%0.64251%0.512SS*.Hα-helixtrans-59.2-39-175.9-175.70000112.2Y453 A457 L458 L459Y453-V455 PolarHBondContact O-N 2.95Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.36Å; V455-L458 PolarHBondContact O-N 3.48Å; V455-L459 HydrophobicContact CG1-CD1 3.87Å; V455-L459 HydrophobicContact CG1-CG 4.15Å; V455-L459 WeakPolarHBondContact O-CG 3.47Å; V455-L459 PolarHBondContact O-N 3.36Å
456E80.2Confident79.4Confident119 Ų119116.2 Ų116.256%0.55653%0.526SS*.Hα-helixtrans-63.2-34.8178.3-64.3-169.1172.900113.2R452 Y453 G454 H460R452-E456 HydrophobicContact CB-CB 4.07Å; R452-E456 HydrophobicContact CG-CB 4.44Å; Y453-E456 PolarHBondContact O-N 3.31Å; G454-E456 VanDerWaalsContact C-N 3.32Å; G454-E456 PolarHBondContact O-N 2.91Å; E456-H460 WeakPolarHBondContact O-CB 3.28Å; E456-H460 PolarHBondContact O-N 2.95Å
457A87.4Confident80Confident35 Ų35118.6 Ų118.629%0.28953%0.529SS..Hα-helixtrans-67.9-41.1176.400000111.1R452 G454 V455 R461R452-A457 HydrophobicContact CB-CB 4.35Å; R452-A457 WeakPolarHBondContact O-CB 3.47Å; G454-A457 WeakPolarHBondContact O-CB 3.49Å; G454-A457 PolarHBondContact O-N 3.28Å; G454-A457 VanDerWaalsContact O-N 3.14Å; V455-A457 VanDerWaalsContact C-N 3.29Å; V455-A457 PolarHBondContact O-N 3.36Å; A457-R461 VanDerWaalsContact O-CB 3.28Å; A457-R461 WeakPolarHBondContact O-CB 3.44Å; A457-R461 PolarHBondContact O-N 3.15Å
458L88.7Confident80.3Confident106 Ų106115.4 Ų115.456%0.55552%0.521SS*.Hα-helixtrans-67-46.1177.2-62.8175.8000111.4G454 V455 R461 Q462G454-L458 PolarHBondContact O-N 2.77Å; V455-L458 PolarHBondContact O-N 3.48Å; L458-R461 WeakPolarHBondContact O-CB 3.36Å; L458-R461 PolarHBondContact O-N 3.45Å; L458-Q462 WeakPolarHBondContact O-CB 3.35Å; L458-Q462 WeakPolarHBondContact O-CG 3.37Å; L458-Q462 PolarHBondContact O-N 3.5Å
459L90.3Very high80.8Confident101 Ų101113.8 Ų113.853%0.52953%0.525SS..Hα-helixtrans-63.7-41.6176.3-69173.9000111.9V455 R461 Q462 L463V455-L459 HydrophobicContact CG1-CD1 3.87Å; V455-L459 HydrophobicContact CG1-CG 4.15Å; V455-L459 WeakPolarHBondContact O-CG 3.47Å; V455-L459 PolarHBondContact O-N 3.36Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.07Å; L459-Q462 PolarHBondContact O-N 2.88Å; L459-L463 VanDerWaalsContact O-CB 3.29Å; L459-L463 WeakPolarHBondContact O-CB 3.31Å; L459-L463 PolarHBondContact O-N 3.5Å
460H84.8Confident81.4Confident92 Ų92111.8 Ų111.843%0.42654%0.535SS..Hα-helixtrans-65.5-37175.2-176.3-100.4000112.2E456 K464E456-H460 WeakPolarHBondContact O-CB 3.28Å; E456-H460 PolarHBondContact O-N 2.95Å; H460-K464 WeakPolarHBondContact O-CB 3.48Å; H460-K464 PolarHBondContact O-N 3.02Å
461R87.4Confident81.9Confident157 Ų157106 Ų10659%0.59253%0.526SS*.Hα-helixtrans-63.7-51.4172.6177179.4170172.5-0.4111.3A457 L458 L459 L463 K464 E465A457-R461 VanDerWaalsContact O-CB 3.28Å; A457-R461 WeakPolarHBondContact O-CB 3.44Å; A457-R461 PolarHBondContact O-N 3.15Å; L458-R461 WeakPolarHBondContact O-CB 3.36Å; L458-R461 PolarHBondContact O-N 3.45Å; L459-R461 VanDerWaalsContact C-N 3.34Å; L459-R461 PolarHBondContact O-N 3.07Å; R461-L463 VanDerWaalsContact C-N 3.32Å; R461-L463 PolarHBondContact O-N 3.42Å; R461-K464 WeakPolarHBondContact O-CB 3.29Å; R461-K464 PolarHBondContact O-N 3.07Å; R461-K464 VanDerWaalsContact O-N 3.09Å; R461-E465 HydrophobicContact CG-CG 4.46Å; R461-E465 IonicContact CZ-OE1 2.69Å; R461-E465 VanDerWaalsContact CZ-OE1 3.25Å; R461-E465 IonicContact NE-OE1 2.67Å; R461-E465 PolarHBondContact NE-OE1 3.06Å; R461-E465 IonicContact NE-OE2 2.73Å; R461-E465 IonicContact NH2-OE1 2.68Å; R461-E465 PolarHBondContact NH2-OE1 2.82Å; R461-E465 WeakPolarHBondContact O-CG 3.47Å; R461-E465 PolarHBondContact O-N 3.41Å
462Q90.4Very high81.1Confident92 Ų92104.8 Ų104.843%0.4352%0.523SS..Hα-helixtrans-60-40.4178-73.2177.30.500112.1L458 L459 K464 E465 R466L458-Q462 WeakPolarHBondContact O-CB 3.35Å; L458-Q462 WeakPolarHBondContact O-CG 3.37Å; L458-Q462 PolarHBondContact O-N 3.5Å; L459-Q462 PolarHBondContact O-N 2.88Å; Q462-K464 VanDerWaalsContact C-N 3.34Å; Q462-K464 PolarHBondContact O-N 2.93Å; Q462-E465 PolarHBondContact O-N 2.88Å; Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 3.42Å
463L88.8Confident80.1Confident77 Ų77100.8 Ų100.840%0.40353%0.526SS..Hα-helixtrans-62.3-41174.5179.462.8000111.6L459 R461 R467L459-L463 VanDerWaalsContact O-CB 3.29Å; L459-L463 WeakPolarHBondContact O-CB 3.31Å; L459-L463 PolarHBondContact O-N 3.5Å; R461-L463 VanDerWaalsContact C-N 3.32Å; R461-L463 PolarHBondContact O-N 3.42Å; L463-R467 WeakPolarHBondContact O-CB 3.31Å; L463-R467 WeakPolarHBondContact O-CG 3.27Å; L463-R467 PolarHBondContact O-N 2.79Å
464K87.3Confident78.8Confident112 Ų11298.3 Ų98.349%0.48753%0.529SS..Hα-helixtrans-66-42.7174.4-171.2-177.6177.1-173.40111.6H460 R461 Q462 R467 M468H460-K464 WeakPolarHBondContact O-CB 3.48Å; H460-K464 PolarHBondContact O-N 3.02Å; R461-K464 WeakPolarHBondContact O-CB 3.29Å; R461-K464 PolarHBondContact O-N 3.07Å; R461-K464 VanDerWaalsContact O-N 3.09Å; Q462-K464 VanDerWaalsContact C-N 3.34Å; Q462-K464 PolarHBondContact O-N 2.93Å; K464-R467 PolarHBondContact O-N 2.98Å; K464-M468 HydrophobicContact CG-CE 4.33Å; K464-M468 HydrophobicContact CG-SD 4.3Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.39Å
465E86.4Confident77.4Confident64 Ų6499 Ų9930%0.29953%0.529SS..Hα-helixtrans-62.1-45.7177-73.2166.1161.400111.3R461 Q462 R467 M468 L469R461-E465 HydrophobicContact CG-CG 4.46Å; R461-E465 IonicContact CZ-OE1 2.69Å; R461-E465 VanDerWaalsContact CZ-OE1 3.25Å; R461-E465 IonicContact NE-OE1 2.67Å; R461-E465 PolarHBondContact NE-OE1 3.06Å; R461-E465 IonicContact NE-OE2 2.73Å; R461-E465 IonicContact NH2-OE1 2.68Å; R461-E465 PolarHBondContact NH2-OE1 2.82Å; R461-E465 WeakPolarHBondContact O-CG 3.47Å; R461-E465 PolarHBondContact O-N 3.41Å; Q462-E465 PolarHBondContact O-N 2.88Å; E465-R467 PolarHBondContact O-N 2.83Å; E465-M468 HydrophobicContact CG-CE 4.06Å; E465-M468 PolarHBondContact O-N 2.92Å; E465-L469 WeakPolarHBondContact O-CB 3.32Å; E465-L469 VanDerWaalsContact O-CG 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.29Å; E465-L469 PolarHBondContact O-N 3.39Å
466R85.6Confident76Confident174 Ų174101.3 Ų101.366%0.65753%0.533SS*.Hα-helixtrans-58.9-42.4171.5-69.6-175.7-158.8-178.27.3112.7Q462 L469 A470Q462-R466 WeakPolarHBondContact O-CG 3.46Å; Q462-R466 PolarHBondContact O-N 3.42Å; R466-L469 PolarHBondContact O-N 2.99Å; R466-A470 WeakPolarHBondContact O-CB 3.45Å; R466-A470 PolarHBondContact O-N 3.12Å
467R81.9Confident74.8Confident142 Ų142102 Ų10254%0.53654%0.536SS..Hα-helixtrans-64.9-40.4177.9-76.6177179.2-171.6-0.7112.2L463 K464 E465 A470 T471L463-R467 WeakPolarHBondContact O-CB 3.31Å; L463-R467 WeakPolarHBondContact O-CG 3.27Å; L463-R467 PolarHBondContact O-N 2.79Å; K464-R467 PolarHBondContact O-N 2.98Å; E465-R467 PolarHBondContact O-N 2.83Å; R467-A470 PolarHBondContact O-N 3.24Å; R467-T471 WeakPolarHBondContact O-CB 3.37Å; R467-T471 PolarHBondContact O-N 3.28Å; R467-T471 VanDerWaalsContact O-N 3.08Å; R467-T471 PolarHBondContact O-OG1 2.93Å
468M71.4Confident73Confident84 Ų84103 Ų10341%0.41454%0.544SS..Hα-helixtrans-64.7-47175.1-66.7180-50.900110.6K464 E465 A470 T471 D472K464-M468 HydrophobicContact CG-CE 4.33Å; K464-M468 HydrophobicContact CG-SD 4.3Å; K464-M468 WeakPolarHBondContact O-CG 3.35Å; K464-M468 PolarHBondContact O-N 3.39Å; E465-M468 HydrophobicContact CG-CE 4.06Å; E465-M468 PolarHBondContact O-N 2.92Å; M468-A470 PolarHBondContact O-N 2.87Å; M468-A470 VanDerWaalsContact O-N 3.15Å; M468-T471 PolarHBondContact O-N 3.48Å; M468-D472 PolarHBondContact O-N 3.32Å
469L73.9Confident71.4Confident134 Ų134102.5 Ų102.570%0.70254%0.539SS*.Hα-helixtrans-60.6-23175.8-70.2168.7000114.6E465 R466E465-L469 WeakPolarHBondContact O-CB 3.32Å; E465-L469 VanDerWaalsContact O-CG 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.29Å; E465-L469 PolarHBondContact O-N 3.39Å; R466-L469 PolarHBondContact O-N 2.99Å
470A74Confident69.7Low88 Ų88102.2 Ų102.273%0.72754%0.541SS*.Hα-helixtrans-94.4-10.1174.900000113.9R466 R467 M468R466-A470 WeakPolarHBondContact O-CB 3.45Å; R466-A470 PolarHBondContact O-N 3.12Å; R467-A470 PolarHBondContact O-N 3.24Å; M468-A470 PolarHBondContact O-N 2.87Å; M468-A470 VanDerWaalsContact O-N 3.15Å
471T71.2Confident68.2Low116 Ų116102.5 Ų102.571%0.71255%0.55SS*.Hα-helixtrans-104.9-37.2-179.6-49.80000111.6R467 M468R467-T471 WeakPolarHBondContact O-CB 3.37Å; R467-T471 PolarHBondContact O-N 3.28Å; R467-T471 VanDerWaalsContact O-N 3.08Å; R467-T471 PolarHBondContact O-OG1 2.93Å; M468-T471 PolarHBondContact O-N 3.48Å
472D54.9Low66.6Low92 Ų92102.2 Ų102.249%0.49255%0.549SS..SBendtrans-82.9119.7173.2-72.8-49.8000110.1M468 A474M468-D472 PolarHBondContact O-N 3.32Å; D472-A474 PolarHBondContact O-N 2.92Å
473G52.6Low64.9Low55 Ų55100 Ų10057%0.56754%0.543SS*.  trans-69.467.8172.900000112.5A475 Q476G473-A475 PolarHBondContact O-N 3.05Å; G473-Q476 PolarHBondContact O-N 3.29Å
474A50.9Low63.6Low64 Ų64100.2 Ų100.253%0.52955%0.551SS.*Hα-helixtrans-57.4-21.6-163.500000115.5D472 Q476D472-A474 PolarHBondContact O-N 2.92Å; A474-Q476 VanDerWaalsContact C-N 3.32Å; A474-Q476 PolarHBondContact O-N 3.28Å
475A53.5Low63Low68 Ų68100 Ų10056%0.56255%0.552SS**Hα-helixtrans-58.2-41.1171.400000112.6G473 A478 H479G473-A475 PolarHBondContact O-N 3.05Å; A475-A478 PolarHBondContact O-N 2.75Å; A475-H479 PolarHBondContact O-CD2 3.33Å; A475-H479 PolarHBondContact O-NE2 2.96Å
476Q55.3Low63.1Low156 Ų156104.5 Ų104.573%0.72957%0.566SS**Hα-helixtrans-72.1-36.2-170.5-64.7-176.8-9.700113G473 A474 A478 H479G473-Q476 PolarHBondContact O-N 3.29Å; A474-Q476 VanDerWaalsContact C-N 3.32Å; A474-Q476 PolarHBondContact O-N 3.28Å; Q476-A478 PolarHBondContact O-N 2.66Å; Q476-H479 PolarHBondContact O-N 2.89Å
477Q53.5Low63.2Low133 Ų13396.2 Ų96.262%0.62154%0.535SS*.Hα-helixtrans-73.4-25.5-179.5-66-172.411.500113.3H479 T480 T481Q477-H479 VanDerWaalsContact C-N 3.26Å; Q477-H479 PolarHBondContact O-N 3.32Å; Q477-T480 WeakPolarHBondContact O-CG2 3.42Å; Q477-T481 PolarHBondContact O-OG1 3.46Å; Q477-T481 VanDerWaalsContact O-OG1 3.04Å
478A51Low63.4Low56 Ų5692.7 Ų92.746%0.46353%0.526SS..Hα-helixtrans-69.7-2117500000113.4A475 Q476 T481A475-A478 PolarHBondContact O-N 2.75Å; Q476-A478 PolarHBondContact O-N 2.66Å; A478-T481 PolarHBondContact O-OG1 2.88Å
479H54.6Low64.1Low96 Ų9688.8 Ų88.844%0.44451%0.508SS..Hα-helixtrans-91.8-37.5-176.3-62-37.4000113.2A475 Q476 Q477 R482 M503A475-H479 PolarHBondContact O-CD2 3.33Å; A475-H479 PolarHBondContact O-NE2 2.96Å; Q476-H479 PolarHBondContact O-N 2.89Å; Q477-H479 VanDerWaalsContact C-N 3.26Å; Q477-H479 PolarHBondContact O-N 3.32Å; H479-R482 PolarHBondContact O-N 3.46Å; H479-M503 HydrophobicContact CB-CE 3.71Å; H479-M503 WeakPolarHBondContact ND1-CE 3.29Å
480T53.7Low64.7Low94 Ų9488.4 Ų88.458%0.57750%0.501SS*.Hα-helixtrans-67.7-32.7176.3-177.20000113.3Q477 R482 S483Q477-T480 WeakPolarHBondContact O-CG2 3.42Å; T480-R482 PolarHBondContact O-N 3.39Å; T480-S483 PolarHBondContact O-OG 3.48Å
481T53.5Low65.1Low98 Ų9887.3 Ų87.360%0.60148%0.484SS*.THydrogen-bonded Turntrans-73.7-10.8179.546.50000114.2Q477 A478 S484Q477-T481 PolarHBondContact O-OG1 3.46Å; Q477-T481 VanDerWaalsContact O-OG1 3.04Å; A478-T481 PolarHBondContact O-OG1 2.88Å; T481-S484 PolarHBondContact O-OG 3.28Å
482R54.6Low65.5Low152 Ų15288.9 Ų88.957%0.57449%0.489SS*.THydrogen-bonded Turntrans-105.3-26.2-177.2-134.9-176.2-161.8-177.510.1114.5H479 T480 S484 Q485H479-R482 PolarHBondContact O-N 3.46Å; T480-R482 PolarHBondContact O-N 3.39Å; R482-S484 PolarHBondContact O-N 2.91Å; R482-Q485 PolarHBondContact O-N 2.87Å
483S55.3Low66.6Low44 Ų4492.1 Ų92.131%0.30851%0.506SS..THydrogen-bonded Turntrans-69.4-9.8176.554.20000113.7T480 Q485 Q499T480-S483 PolarHBondContact O-OG 3.48Å; S483-Q485 VanDerWaalsContact C-N 3.32Å; S483-Q485 PolarHBondContact O-N 2.86Å; S483-Q499 PolarHBondContact O-NE2 2.9Å
484S59.8Low68.2Low82 Ų8294.3 Ų94.357%0.57351%0.508SS*.THydrogen-bonded Turntrans-79.7-2.3177.660.70000114.8T481 R482 Q499T481-S484 PolarHBondContact O-OG 3.28Å; R482-S484 PolarHBondContact O-N 2.91Å; S484-Q499 PolarHBondContact O-NE2 3.49Å
485Q76.3Confident69.9Low108 Ų10896.7 Ų96.751%0.50550%0.503SS..SBendtrans-84.1144.4-179.3-58.4-164.4-15.500113.2R482 S483 Q499 S500R482-Q485 PolarHBondContact O-N 2.87Å; S483-Q485 VanDerWaalsContact C-N 3.32Å; S483-Q485 PolarHBondContact O-N 2.86Å; Q485-Q499 PolarHBondContact O-NE2 3.04Å; Q485-S500 WeakPolarHBondContact O-CB 3.47Å; Q485-S500 PolarHBondContact O-N 3.06Å; Q485-S500 PolarHBondContact O-OG 3.43Å
486R87Confident71.5Confident158 Ų15894 Ų9460%0.59648%0.481SS*.BIsolated β-bridgetrans-72.9150.3168.5-62.3-177.7-171165.21.7110.1R495R486-R495 PolarHBondContact O-NH2 3.45Å
487C88.9Confident73Confident0 Ų090.8 Ų90.80%048%0.475CS..PPolyproline II helixtrans-47.1146.2174.9-179.80000113.1A489 R495 C496 N498 R505 C507C487-A489 WeakPolarHBondContact SG-CB 3.28Å; C487-A489 PolarHBondContact SG-N 3.34Å; C487-R495 PolarHBondContact O-NE 3.26Å; C487-R495 PolarHBondContact O-NH2 2.92Å; C487-C496 HydrophobicContact CB-CB 4Å; C487-N498 VanDerWaalsContact CB-O 3.32Å; C487-N498 WeakPolarHBondContact CB-O 3.33Å; C487-N498 PolarHBondContact N-O 3.16Å; C487-R505 WeakPolarHBondContact CA-O 3.27Å; C487-C507 HydrophobicContact CB-CB 4.02Å; C487-C507 PolarHBondContact SG-N 3.25Å; C487-C507 VanDerWaalsContact SG-N 3.4Å
488L86.4Confident74.6Confident68 Ų6888.1 Ų88.136%0.35647%0.465SS..  trans-89-5.3175.8-66.3-169.8000115F490 R505L488-F490 VanDerWaalsContact O-CD2 3.25Å; L488-F490 WeakPolarHBondContact O-CD2 3.44Å; L488-F490 WeakPolarHBondContact O-CE2 3.32Å; L488-R505 HydrophobicContact CD1-CB 3.84Å; L488-R505 HydrophobicContact CD1-CG 4.31Å; L488-R505 HydrophobicContact CG-CB 4.06Å; L488-R505 PolarHBondContact N-O 3.2Å
489A85.5Confident76.4Confident3 Ų390.2 Ų90.23%0.02547%0.465CS..  trans-62.9146.4176.600000112.3C487 R495 C496 H510C487-A489 WeakPolarHBondContact SG-CB 3.28Å; C487-A489 PolarHBondContact SG-N 3.34Å; A489-R495 WeakPolarHBondContact O-CA 3.28Å; A489-C496 HydrophobicContact CB-CB 4.15Å; A489-C496 PolarHBondContact O-N 2.63Å; A489-H510 HydrophobicContact CB-CB 3.54Å; A489-H510 VanDerWaalsContact CB-CG 3.46Å; A489-H510 VanDerWaalsContact CB-ND1 3.32Å; A489-H510 WeakPolarHBondContact CB-ND1 3.41Å
490F85.9Confident78Confident126 Ų12686 Ų8655%0.55345%0.447SS*.EExtended strand (participates in β ladder)trans-116.5139.2168.5-68.5-102.8000108.6L488 V494 R495L488-F490 VanDerWaalsContact O-CD2 3.25Å; L488-F490 WeakPolarHBondContact O-CD2 3.44Å; L488-F490 WeakPolarHBondContact O-CE2 3.32Å; F490-V494 WeakPolarHBondContact CA-O 3.25Å; F490-R495 HydrophobicContact CD1-CB 4.04Å; F490-R495 HydrophobicContact CE1-CB 3.77Å; F490-R495 HydrophobicContact CZ-CB 4.13Å; F490-R495 HydrophobicContact CZ-CG 4.42Å
491V82.4Confident79.5Confident64 Ų6483.8 Ų83.839%0.38843%0.431SS..EExtended strand (participates in β ladder)trans-133.5124.5173.6-177.80000105.5D493 V494V491-D493 VanDerWaalsContact C-N 3.29Å; V491-D493 PolarHBondContact O-N 2.9Å; V491-V494 PolarHBondContact N-O 3.22Å; V491-V494 WeakPolarHBondContact O-CA 3.49Å; V491-V494 PolarHBondContact O-N 2.9Å; V491-V494 VanDerWaalsContact O-O 3.12Å
492D79Confident80.8Confident150 Ų15083.5 Ų83.580%0.80243%0.431SS*.THydrogen-bonded Turntrans49.748.2-177-48.5-36.9000112.8V494D492-V494 PolarHBondContact O-N 3.49Å
493D79.9Confident81.8Confident159 Ų15982.1 Ų82.185%0.8543%0.433SS*.THydrogen-bonded Turntrans57.50.8-172.1-68.4-39.3000116.7V491V491-D493 VanDerWaalsContact C-N 3.29Å; V491-D493 PolarHBondContact O-N 2.9Å
494V85.6Confident83.1Confident102 Ų10281.7 Ų81.762%0.61843%0.428SS*.EExtended strand (participates in β ladder)trans-92.6125.6175-177.90000110.6F490 V491 D492 C496F490-V494 WeakPolarHBondContact CA-O 3.25Å; V491-V494 PolarHBondContact N-O 3.22Å; V491-V494 WeakPolarHBondContact O-CA 3.49Å; V491-V494 PolarHBondContact O-N 2.9Å; V491-V494 VanDerWaalsContact O-O 3.12Å; D492-V494 PolarHBondContact O-N 3.49Å; V494-C496 PolarHBondContact O-N 3.48Å
495R86.1Confident84.3Confident113 Ų11384.8 Ų84.843%0.42643%0.427SS..EExtended strand (participates in β ladder)trans-66.2130.8173.5-178.3-178.8169-171.41.5110.9R486 C487 A489 F490 S497R486-R495 PolarHBondContact O-NH2 3.45Å; C487-R495 PolarHBondContact O-NE 3.26Å; C487-R495 PolarHBondContact O-NH2 2.92Å; A489-R495 WeakPolarHBondContact O-CA 3.28Å; F490-R495 HydrophobicContact CD1-CB 4.04Å; F490-R495 HydrophobicContact CE1-CB 3.77Å; F490-R495 HydrophobicContact CZ-CB 4.13Å; F490-R495 HydrophobicContact CZ-CG 4.42Å; R495-S497 PolarHBondContact O-N 3.47Å
496C87.5Confident84.9Confident13 Ų1380.7 Ų80.79%0.08841%0.408CS..PPolyproline II helixtrans-55.6128.5177.5-175.90000112.5C487 A489 V494 C507 H510C487-C496 HydrophobicContact CB-CB 4Å; A489-C496 HydrophobicContact CB-CB 4.15Å; A489-C496 PolarHBondContact O-N 2.63Å; V494-C496 PolarHBondContact O-N 3.48Å; C496-C507 VanDerWaalsContact SG-SG 3.7Å; C496-H510 PolarHBondContact SG-CE1 2.87Å; C496-H510 PolarHBondContact SG-ND1 3.32Å; C496-H510 VanDerWaalsContact SG-ND1 3.41Å
497S86.8Confident85.1Confident88 Ų8873.3 Ų73.362%0.61538%0.381SS*.  trans-74.8-22.5178.750.80000113.9R495R495-S497 PolarHBondContact O-N 3.47Å
498N87.1Confident85Confident76 Ų7677.8 Ų77.841%0.40640%0.404SS..SBendtrans-63.6151.6-174.2-64.7-21.3000112.8C487 C507C487-N498 VanDerWaalsContact CB-O 3.32Å; C487-N498 WeakPolarHBondContact CB-O 3.33Å; C487-N498 PolarHBondContact N-O 3.16Å; N498-C507 HydrophobicContact CB-CB 3.53Å
499Q88.5Confident85Confident100 Ų10078.4 Ų78.447%0.46741%0.411SS..BIsolated β-bridgetrans-67.7139.4178.7-15661.821.900112.2S483 S484 Q485 C507S483-Q499 PolarHBondContact O-NE2 2.9Å; S484-Q499 PolarHBondContact O-NE2 3.49Å; Q485-Q499 PolarHBondContact O-NE2 3.04Å; Q499-C507 WeakPolarHBondContact O-CA 3.36Å; Q499-C507 WeakPolarHBondContact O-CB 3.35Å
500S88.9Confident85.2Confident8 Ų879.6 Ų79.66%0.05642%0.416CS..PPolyproline II helixtrans-71.9138.9170.563.80000111.2Q485 H506Q485-S500 WeakPolarHBondContact O-CB 3.47Å; Q485-S500 PolarHBondContact O-N 3.06Å; Q485-S500 PolarHBondContact O-OG 3.43Å; S500-H506 WeakPolarHBondContact CA-O 3.37Å
501L84.2Confident85.3Confident48 Ų4873.7 Ų73.725%0.25139%0.39SS..PPolyproline II helixtrans-66.3150.1174.8-71.7157.5000111.3M503 T504 H506 L508 I511L501-M503 PolarHBondContact O-N 3.42Å; L501-T504 HydrophobicContact CB-CG2 4.12Å; L501-T504 WeakPolarHBondContact CB-OG1 3.3Å; L501-T504 PolarHBondContact N-OG1 2.98Å; L501-T504 PolarHBondContact O-N 3.49Å; L501-T504 PolarHBondContact O-OG1 3.1Å; L501-H506 PolarHBondContact N-O 3.45Å; L501-L508 HydrophobicContact CD1-CB 4.47Å; L501-L508 HydrophobicContact CD1-CD2 3.71Å; L501-L508 HydrophobicContact CD1-CG 3.85Å; L501-L508 HydrophobicContact CD2-CD2 4.24Å; L501-L508 HydrophobicContact CD2-CG 4.08Å; L501-L508 HydrophobicContact CG-CG 4.34Å; L501-I511 HydrophobicContact CD1-CD1 3.72Å
502P81.6Confident85.4Confident92 Ų9272.8 Ų72.860%0.59739%0.386SS*.THydrogen-bonded Turntrans-47.4135.7175.2-28.335.5000112.7T504P502-T504 PolarHBondContact O-N 3.04Å
503M75.8Confident85.7Confident123 Ų12370.3 Ų70.361%0.60637%0.37SS*.THydrogen-bonded Turntrans63.1-8.2-176-57.8-57.798.200117.2H479 L501H479-M503 HydrophobicContact CB-CE 3.71Å; H479-M503 WeakPolarHBondContact ND1-CE 3.29Å; L501-M503 PolarHBondContact O-N 3.42Å
504T81.5Confident85.9Confident34 Ų3464 Ų6421%0.20934%0.336CS..SBendtrans-97.4-179.217479.40000112L501 P502 H506 I511L501-T504 HydrophobicContact CB-CG2 4.12Å; L501-T504 WeakPolarHBondContact CB-OG1 3.3Å; L501-T504 PolarHBondContact N-OG1 2.98Å; L501-T504 PolarHBondContact O-N 3.49Å; L501-T504 PolarHBondContact O-OG1 3.1Å; P502-T504 PolarHBondContact O-N 3.04Å; T504-H506 PolarHBondContact OG1-N 3.04Å; T504-H506 PolarHBondContact OG1-O 3.15Å; T504-I511 HydrophobicContact CG2-CD1 4.06Å
505R86.1Confident85.6Confident148 Ų14865.7 Ų65.756%0.55835%0.347SS*.SBendtrans-112.58.5166.6-54.6-171.4-173.1-171.53.9113.3C487 L488C487-R505 WeakPolarHBondContact CA-O 3.27Å; L488-R505 HydrophobicContact CD1-CB 3.84Å; L488-R505 HydrophobicContact CD1-CG 4.31Å; L488-R505 HydrophobicContact CG-CB 4.06Å; L488-R505 PolarHBondContact N-O 3.2Å
506H88.9Confident85.4Confident21 Ų2166.2 Ų66.210%0.09736%0.358CS..SBendtrans-130.6149.2-167.1-64.397.2000111.6S500 L501 T504 D514S500-H506 WeakPolarHBondContact CA-O 3.37Å; L501-H506 PolarHBondContact N-O 3.45Å; T504-H506 PolarHBondContact OG1-N 3.04Å; T504-H506 PolarHBondContact OG1-O 3.15Å; H506-D514 IonicContact CE1-OD2 3.33Å; H506-D514 PolarHBondContact CE1-OD2 2.96Å; H506-D514 VanDerWaalsContact CE1-OD2 3.27Å; H506-D514 WeakPolarHBondContact ND1-CB 3.36Å; H506-D514 IonicContact ND1-OD2 3.21Å; H506-D514 PolarHBondContact ND1-OD2 3.42Å
507C90.1Very high85.2Confident4 Ų467.7 Ų67.73%0.02736%0.363CS..  trans-80.3168.9171.560.70000110.1C487 C496 N498 Q499 T509 H510 I511C487-C507 HydrophobicContact CB-CB 4.02Å; C487-C507 PolarHBondContact SG-N 3.25Å; C487-C507 VanDerWaalsContact SG-N 3.4Å; C496-C507 VanDerWaalsContact SG-SG 3.7Å; N498-C507 HydrophobicContact CB-CB 3.53Å; Q499-C507 WeakPolarHBondContact O-CA 3.36Å; Q499-C507 WeakPolarHBondContact O-CB 3.35Å; C507-T509 VanDerWaalsContact C-N 3.32Å; C507-T509 PolarHBondContact O-N 2.71Å; C507-T509 PolarHBondContact SG-OG1 3.07Å; C507-H510 CarbonylContact O-C 3.58Å; C507-H510 PolarHBondContact O-N 2.98Å; C507-H510 PolarHBondContact SG-ND1 3.39Å; C507-I511 PolarHBondContact O-N 3.4Å
508L87.1Confident85Confident93 Ų9368.9 Ų68.949%0.48737%0.367SS..G310 helixtrans-48.7-50.9178.5-76.4165.8000112.4L501 H510 I511 F520 P534L501-L508 HydrophobicContact CD1-CB 4.47Å; L501-L508 HydrophobicContact CD1-CD2 3.71Å; L501-L508 HydrophobicContact CD1-CG 3.85Å; L501-L508 HydrophobicContact CD2-CD2 4.24Å; L501-L508 HydrophobicContact CD2-CG 4.08Å; L501-L508 HydrophobicContact CG-CG 4.34Å; L508-H510 PolarHBondContact O-N 2.97Å; L508-I511 WeakPolarHBondContact O-CG2 3.29Å; L508-I511 PolarHBondContact O-N 2.97Å; L508-F520 HydrophobicContact CD2-CZ 4.49Å; L508-P534 WeakPolarHBondContact O-CG 3.13Å
509T87.1Confident84.8Confident81 Ų8171 Ų7150%0.49738%0.377SS..G310 helixtrans-62.8-18.5-176.359.70000114.3C507C507-T509 VanDerWaalsContact C-N 3.32Å; C507-T509 PolarHBondContact O-N 2.71Å; C507-T509 PolarHBondContact SG-OG1 3.07Å
510H88.5Confident84.7Confident28 Ų2868.7 Ų68.713%0.1337%0.366CS..G310 helixtrans-124.912.2-176.9-54.4136.6000113.2A489 C496 C507 L508 C512 Q513A489-H510 HydrophobicContact CB-CB 3.54Å; A489-H510 VanDerWaalsContact CB-CG 3.46Å; A489-H510 VanDerWaalsContact CB-ND1 3.32Å; A489-H510 WeakPolarHBondContact CB-ND1 3.41Å; C496-H510 PolarHBondContact SG-CE1 2.87Å; C496-H510 PolarHBondContact SG-ND1 3.32Å; C496-H510 VanDerWaalsContact SG-ND1 3.41Å; C507-H510 CarbonylContact O-C 3.58Å; C507-H510 PolarHBondContact O-N 2.98Å; C507-H510 PolarHBondContact SG-ND1 3.39Å; L508-H510 PolarHBondContact O-N 2.97Å; H510-C512 PolarHBondContact O-N 3.39Å; H510-Q513 HydrophobicContact CB-CG 4.29Å; H510-Q513 WeakPolarHBondContact O-CB 3.49Å; H510-Q513 PolarHBondContact O-N 3.1Å
511I88.1Confident84.4Confident3 Ų372.9 Ų72.92%0.01538%0.383CS..G310 helixtrans-63-31.3-178-166.3164.8000112.1L501 T504 C507 L508 Q513 D514 Q517 F520 P534L501-I511 HydrophobicContact CD1-CD1 3.72Å; T504-I511 HydrophobicContact CG2-CD1 4.06Å; C507-I511 PolarHBondContact O-N 3.4Å; L508-I511 WeakPolarHBondContact O-CG2 3.29Å; L508-I511 PolarHBondContact O-N 2.97Å; I511-Q513 PolarHBondContact O-N 3.36Å; I511-D514 WeakPolarHBondContact O-CB 3.31Å; I511-D514 PolarHBondContact O-N 2.96Å; I511-Q517 HydrophobicContact CG1-CG 4Å; I511-F520 HydrophobicContact CD1-CD2 3.6Å; I511-F520 HydrophobicContact CD1-CE2 4.07Å; I511-F520 HydrophobicContact CD1-CG 4.3Å; I511-F520 HydrophobicContact CG2-CB 3.76Å; I511-F520 HydrophobicContact CG2-CD2 4.41Å; I511-F520 HydrophobicContact CG2-CG 4.03Å; I511-P534 HydrophobicContact CG2-CB 3.96Å
512C85.8Confident84.4Confident44 Ų4473.3 Ų73.330%0.29739%0.389SS..G310 helixtrans-76.91.7175.5-56.90000114H510 F520H510-C512 PolarHBondContact O-N 3.39Å; C512-F520 PolarHBondContact SG-O 2.84Å
513Q83.9Confident84.6Confident99 Ų9969.1 Ų69.146%0.46336%0.362SS..G310 helixtrans-88.2-11.8166.4-58.9-178.9-6.900112.4H510 I511 T515H510-Q513 HydrophobicContact CB-CG 4.29Å; H510-Q513 WeakPolarHBondContact O-CB 3.49Å; H510-Q513 PolarHBondContact O-N 3.1Å; I511-Q513 PolarHBondContact O-N 3.36Å; Q513-T515 PolarHBondContact O-N 2.95Å
514D84.7Confident84.6Confident27 Ų2768.8 Ų68.814%0.14436%0.359CS..SBendtrans-77.5119.7175.9-156.2-49.3000110.1H506 I511 N516 Q517H506-D514 IonicContact CE1-OD2 3.33Å; H506-D514 PolarHBondContact CE1-OD2 2.96Å; H506-D514 VanDerWaalsContact CE1-OD2 3.27Å; H506-D514 WeakPolarHBondContact ND1-CB 3.36Å; H506-D514 IonicContact ND1-OD2 3.21Å; H506-D514 PolarHBondContact ND1-OD2 3.42Å; I511-D514 WeakPolarHBondContact O-CB 3.31Å; I511-D514 PolarHBondContact O-N 2.96Å; D514-N516 PolarHBondContact O-N 2.89Å; D514-N516 PolarHBondContact OD1-N 3.23Å; D514-N516 PolarHBondContact OD1-ND2 2.97Å; D514-Q517 HydrophobicContact CB-CB 4.21Å; D514-Q517 VanDerWaalsContact O-CB 3.29Å; D514-Q517 WeakPolarHBondContact O-CB 3.48Å; D514-Q517 PolarHBondContact O-N 3.12Å
515T80Confident84.3Confident137 Ų13768 Ų6884%0.8436%0.358SS*.THydrogen-bonded Turntrans-64.4-9.5-177.956.10000114.2Q513Q513-T515 PolarHBondContact O-N 2.95Å
516N80.6Confident83.5Confident123 Ų12364 Ų6466%0.65835%0.352SS*.THydrogen-bonded Turntrans-106.17.2179.6-46.6-89.3000112.1D514 V518D514-N516 PolarHBondContact O-N 2.89Å; D514-N516 PolarHBondContact OD1-N 3.23Å; D514-N516 PolarHBondContact OD1-ND2 2.97Å; N516-V518 PolarHBondContact O-N 3.19Å
517Q85Confident82.3Confident45 Ų4573 Ų7321%0.2139%0.394CS..  trans-76115.5-172-173.95623.600112.6I511 D514 F520I511-Q517 HydrophobicContact CG1-CG 4Å; D514-Q517 HydrophobicContact CB-CB 4.21Å; D514-Q517 VanDerWaalsContact O-CB 3.29Å; D514-Q517 WeakPolarHBondContact O-CB 3.48Å; D514-Q517 PolarHBondContact O-N 3.12Å; Q517-F520 HydrophobicContact CG-CB 4.21Å; Q517-F520 WeakPolarHBondContact CG-O 3.42Å; Q517-F520 VanDerWaalsContact NE2-N 3.13Å
518V82.6Confident81Confident113 Ų11381 Ų8169%0.68543%0.431SS*.  trans-111.1-17.7178.3-63.10000114.2N516N516-V518 PolarHBondContact O-N 3.19Å
519L82.6Confident80.2Confident120 Ų12080.8 Ų80.863%0.62843%0.434SS*.SBendtrans-92.6-15.1-174.4-53176.7000114P536 V537L519-P536 WeakPolarHBondContact O-CA 3.26Å; L519-V537 PolarHBondContact O-N 3.25Å
520F84.7Confident79.5Confident52 Ų5281.8 Ų81.823%0.22844%0.442CS..EExtended strand (participates in β ladder)trans-139.8127-175.1-76.2-89.3000110.6L508 I511 C512 Q517 P534 V535 P536L508-F520 HydrophobicContact CD2-CZ 4.49Å; I511-F520 HydrophobicContact CD1-CD2 3.6Å; I511-F520 HydrophobicContact CD1-CE2 4.07Å; I511-F520 HydrophobicContact CD1-CG 4.3Å; I511-F520 HydrophobicContact CG2-CB 3.76Å; I511-F520 HydrophobicContact CG2-CD2 4.41Å; I511-F520 HydrophobicContact CG2-CG 4.03Å; C512-F520 PolarHBondContact SG-O 2.84Å; Q517-F520 HydrophobicContact CG-CB 4.21Å; Q517-F520 WeakPolarHBondContact CG-O 3.42Å; Q517-F520 VanDerWaalsContact NE2-N 3.13Å; F520-P534 HydrophobicContact CD1-CB 4.25Å; F520-V535 VanDerWaalsContact CA-O 3.32Å; F520-V535 WeakPolarHBondContact CA-O 3.18Å; F520-P536 HydrophobicContact CD1-CG 4.34Å; F520-P536 HydrophobicContact CE1-CG 3.8Å; F520-P536 HydrophobicContact CZ-CG 4.38Å
521K83.6Confident79.1Confident95 Ų9581.4 Ų81.441%0.41344%0.442SS..EExtended strand (participates in β ladder)trans-110.2161.2169.3-75.9172.7-176.6-177.80109.2P534 V535 V537 E541 P543K521-P534 CarbonylContact O-C 3.6Å; K521-P534 WeakPolarHBondContact O-CA 3.3Å; K521-V535 PolarHBondContact N-O 3.4Å; K521-V535 PolarHBondContact O-N 3.33Å; K521-V537 HydrophobicContact CB-CG2 4.13Å; K521-V537 HydrophobicContact CD-CG2 4Å; K521-V537 HydrophobicContact CG-CG2 3.65Å; K521-E541 PolarHBondContact NZ-O 3.44Å; K521-P543 HydrophobicContact CB-CG 3.98Å; K521-P543 HydrophobicContact CD-CG 3.9Å; K521-P543 HydrophobicContact CG-CG 4.49Å
522C85.1Confident78.5Confident57 Ų5787.8 Ų87.839%0.38548%0.476SS..EExtended strand (participates in β ladder)trans-70145.4161.9-66.60000109.8
523C84.6Confident78.3Confident5 Ų590.8 Ų90.83%0.03448%0.484CS..  trans-61.3137.5168.4173.80000110G525 C531 K533 V535 C545 H548C523-G525 VanDerWaalsContact C-N 3.28Å; C523-G525 PolarHBondContact O-N 2.69Å; C523-C531 HydrophobicContact CB-CB 3.8Å; C523-C531 PolarHBondContact N-O 2.9Å; C523-K533 PolarHBondContact N-O 3.21Å; C523-V535 HydrophobicContact CB-CG2 3.81Å; C523-C545 HydrophobicContact CB-CB 4.16Å; C523-C545 PolarHBondContact SG-N 3.41Å; C523-H548 PolarHBondContact SG-ND1 3.38Å; C523-H548 VanDerWaalsContact SG-ND1 3.39Å
524Q75.7Confident78.3Confident116 Ų11687.8 Ų87.854%0.54247%0.473SS..  trans-66.8-31.3-179.2-70.8170-5.700112.5D542Q524-D542 PolarHBondContact NE2-OD1 2.73Å
525G75.4Confident78.2Confident17 Ų1787 Ų8718%0.17547%0.469CS..  trans93.4-159.2179.200000112.5C523C523-G525 VanDerWaalsContact C-N 3.28Å; C523-G525 PolarHBondContact O-N 2.69Å
526S68.8Low78.3Confident63 Ų6382.7 Ų82.744%0.44144%0.444SS..BIsolated β-bridgetrans-107163158.657.50000108.6E528 V529S526-E528 PolarHBondContact O-N 2.67Å; S526-V529 PolarHBondContact O-N 3.32Å
527E64Low78.2Confident210 Ų21078.8 Ų78.898%0.98143%0.425SS*.THydrogen-bonded Turntrans-55.6-27.3-176-63-173.3118.600113.6
528E62.4Low77.3Confident172 Ų17281.8 Ų81.880%0.80445%0.45SS*.THydrogen-bonded Turntrans-86.3-21-178.9-59.7-66.5166.800114.4S526S526-E528 PolarHBondContact O-N 2.67Å
529V71.8Confident76.2Confident89 Ų8983 Ų8354%0.53945%0.452SS..BIsolated β-bridgetrans-145.8116.1-174.2-173.20000113.1S526S526-V529 PolarHBondContact O-N 3.32Å
530P70.9Confident75.2Confident103 Ų10379.8 Ų79.867%0.66944%0.44SS*.  trans-73.1129.8-179.929.1-34.7000112.7
531C80.8Confident74.2Confident20 Ų2085.4 Ų85.414%0.13547%0.467CS..  trans-102.290.7-173.4-166.60000113.8C523 K533 H548C523-C531 HydrophobicContact CB-CB 3.8Å; C523-C531 PolarHBondContact N-O 2.9Å; C531-K533 PolarHBondContact O-N 3.49Å; C531-H548 PolarHBondContact SG-CE1 2.92Å; C531-H548 PolarHBondContact SG-ND1 2.81Å
532N74.9Confident73.5Confident137 Ų13785.4 Ų85.473%0.73347%0.471SS*.  trans-6822.9177.5-64.1-55.6000115.5
533K81.6Confident72.9Confident107 Ų10782.8 Ų82.847%0.46545%0.454SS..  trans-89.9125.5-179.2-161.1168.3-174.3175.10109.9C523 C531 C545C523-K533 PolarHBondContact N-O 3.21Å; C531-K533 PolarHBondContact O-N 3.49Å; K533-C545 HydrophobicContact CD-CB 4.09Å
534P84.6Confident72.6Confident35 Ų3584 Ų8423%0.22746%0.462CS..EExtended strand (participates in β ladder)trans-72.9134.7179.331.3-37.2000111L508 I511 F520 K521L508-P534 WeakPolarHBondContact O-CG 3.13Å; I511-P534 HydrophobicContact CG2-CB 3.96Å; F520-P534 HydrophobicContact CD1-CB 4.25Å; K521-P534 CarbonylContact O-C 3.6Å; K521-P534 WeakPolarHBondContact O-CA 3.3Å
535V83.5Confident72.8Confident10 Ų1078.6 Ų78.66%0.06144%0.437CS..EExtended strand (participates in β ladder)trans-129.6137.5-178.9-168.30000109.6F520 K521 C523 P543 C545F520-V535 VanDerWaalsContact CA-O 3.32Å; F520-V535 WeakPolarHBondContact CA-O 3.18Å; K521-V535 PolarHBondContact N-O 3.4Å; K521-V535 PolarHBondContact O-N 3.33Å; C523-V535 HydrophobicContact CB-CG2 3.81Å; V535-P543 HydrophobicContact CB-CB 4.09Å; V535-P543 WeakPolarHBondContact CB-O 3.35Å; V535-P543 HydrophobicContact CG1-CB 3.81Å; V535-C545 HydrophobicContact CG2-CB 3.82Å
536P81.5Confident72.8Confident48 Ų4883.5 Ų83.531%0.31247%0.465SS..EExtended strand (participates in β ladder)trans-58.9136.7173.3-23.433.9000112.1L519 F520 S538 P543L519-P536 WeakPolarHBondContact O-CA 3.26Å; F520-P536 HydrophobicContact CD1-CG 4.34Å; F520-P536 HydrophobicContact CE1-CG 3.8Å; F520-P536 HydrophobicContact CZ-CG 4.38Å; P536-S538 VanDerWaalsContact C-N 3.26Å; P536-S538 PolarHBondContact O-N 3Å; P536-P543 WeakPolarHBondContact O-CB 3.42Å
537V78.3Confident73.2Confident41 Ų4187 Ų8725%0.24848%0.479CS..SBendtrans-77.7-12-179.1-177.30000112.5L519 K521 L539L519-V537 PolarHBondContact O-N 3.25Å; K521-V537 HydrophobicContact CB-CG2 4.13Å; K521-V537 HydrophobicContact CD-CG2 4Å; K521-V537 HydrophobicContact CG-CG2 3.65Å; V537-L539 PolarHBondContact O-N 3.21Å
538S65.9Low73.8Confident107 Ų10779.8 Ų79.875%0.74845%0.445SS*.THydrogen-bonded Turntrans-77.122.8-174.662.90000115.5P536P536-S538 VanDerWaalsContact C-N 3.26Å; P536-S538 PolarHBondContact O-N 3Å
539L59.8Low74.4Confident139 Ų13977.6 Ų77.673%0.72843%0.433SS*.THydrogen-bonded Turntrans-130-30.9-172.5-63.4174.9000113.6V537V537-L539 PolarHBondContact O-N 3.21Å
540S62.2Low74.3Confident53 Ų5382 Ų8237%0.37145%0.448SS..  trans-166.6162.4176.550.50000109.8D542 P543S540-D542 PolarHBondContact O-N 3.39Å; S540-D542 PolarHBondContact OG-O 3.29Å; S540-P543 VanDerWaalsContact OG-CA 3.32Å; S540-P543 WeakPolarHBondContact OG-CA 3.48Å
541E62.6Low73.8Confident169 Ų16983.7 Ų83.779%0.7945%0.45SS*.SBendtrans-63.6-35.1172.4-59-151.7125.700111.3K521 P543K521-E541 PolarHBondContact NZ-O 3.44Å; E541-P543 VanDerWaalsContact C-CD 3.5Å; E541-P543 WeakPolarHBondContact O-CD 3.47Å
542D69.3Low73Confident95 Ų9587.8 Ų87.851%0.50848%0.476SS..SBendtrans-107.684.4173.4-60.4-46000111Q524 S540 C544Q524-D542 PolarHBondContact NE2-OD1 2.73Å; S540-D542 PolarHBondContact O-N 3.39Å; S540-D542 PolarHBondContact OG-O 3.29Å; D542-C544 PolarHBondContact O-N 3.01Å; D542-C544 VanDerWaalsContact O-N 3.15Å
543P72.2Confident72.4Confident3 Ų386.9 Ų86.92%0.01948%0.478CS..  trans-81.296.3-174.932.1-36.9000112K521 V535 P536 S540 E541K521-P543 HydrophobicContact CB-CG 3.98Å; K521-P543 HydrophobicContact CD-CG 3.9Å; K521-P543 HydrophobicContact CG-CG 4.49Å; V535-P543 HydrophobicContact CB-CB 4.09Å; V535-P543 WeakPolarHBondContact CB-O 3.35Å; V535-P543 HydrophobicContact CG1-CB 3.81Å; P536-P543 WeakPolarHBondContact O-CB 3.42Å; S540-P543 VanDerWaalsContact OG-CA 3.32Å; S540-P543 WeakPolarHBondContact OG-CA 3.48Å; E541-P543 VanDerWaalsContact C-CD 3.5Å; E541-P543 WeakPolarHBondContact O-CD 3.47Å
544C78.4Confident71Confident30 Ų3090.4 Ų90.420%0.20350%0.496CS..  trans-82.1148.1171.2-830000113.1D542 H548D542-C544 PolarHBondContact O-N 3.01Å; D542-C544 VanDerWaalsContact O-N 3.15Å; C544-H548 HydrophobicContact CB-CB 4.17Å; C544-H548 VanDerWaalsContact CB-O 3.24Å; C544-H548 WeakPolarHBondContact CB-O 3.37Å
545C79.9Confident69.4Low3 Ų397.6 Ų97.62%0.0253%0.529CS..  trans-75.1163.5173.582.70000110.6C523 K533 V535 L547 H548 F549C523-C545 HydrophobicContact CB-CB 4.16Å; C523-C545 PolarHBondContact SG-N 3.41Å; K533-C545 HydrophobicContact CD-CB 4.09Å; V535-C545 HydrophobicContact CG2-CB 3.82Å; C545-L547 PolarHBondContact O-N 2.66Å; C545-H548 CarbonylContact O-C 3.47Å; C545-H548 PolarHBondContact O-N 3.41Å; C545-F549 PolarHBondContact O-N 2.68Å; C545-F549 VanDerWaalsContact O-N 3.07Å
546P76.3Confident68.3Low119 Ų119105.6 Ų105.677%0.77356%0.56SS**THydrogen-bonded Turntrans-58.7-12.8-174.8-28.136.4000116.9
547L76.3Confident66.9Low138 Ų138112.3 Ų112.372%0.72358%0.584SS**THydrogen-bonded Turntrans-88.3-17.2174.7-58.2177.6000113.3C545C545-L547 PolarHBondContact O-N 2.66Å
548H76.8Confident65.5Low58 Ų58115 Ų11527%0.26960%0.602SS.*SBendtrans-122.416179.7-52.9137.9000111.4C523 C531 C544 C545 Q550C523-H548 PolarHBondContact SG-ND1 3.38Å; C523-H548 VanDerWaalsContact SG-ND1 3.39Å; C531-H548 PolarHBondContact SG-CE1 2.92Å; C531-H548 PolarHBondContact SG-ND1 2.81Å; C544-H548 HydrophobicContact CB-CB 4.17Å; C544-H548 VanDerWaalsContact CB-O 3.24Å; C544-H548 WeakPolarHBondContact CB-O 3.37Å; C545-H548 CarbonylContact O-C 3.47Å; C545-H548 PolarHBondContact O-N 3.41Å; H548-Q550 PolarHBondContact O-N 3.01Å
549F75.7Confident64.6Low126 Ų126118.1 Ų118.155%0.55361%0.605SS**  trans-82.3108.7174.4-175.5-89.3000108.7C545 L551C545-F549 PolarHBondContact O-N 2.68Å; C545-F549 VanDerWaalsContact O-N 3.07Å; F549-L551 HydrophobicContact CD1-CD2 4.24Å; F549-L551 HydrophobicContact CE1-CD2 4.22Å; F549-L551 PolarHBondContact O-N 3.47Å
550Q69.3Low64Low181 Ų181120.2 Ų120.285%0.84661%0.611SS**  trans-78107.6-178.1-168.7160.1-0.700110.1H548H548-Q550 PolarHBondContact O-N 3.01Å
551L60.2Low62.8Low138 Ų138124.1 Ų124.172%0.72363%0.632SS**PPolyproline II helixtrans-60.6138.4173.5-67.3170.8000110F549F549-L551 HydrophobicContact CD1-CD2 4.24Å; F549-L551 HydrophobicContact CE1-CD2 4.22Å; F549-L551 PolarHBondContact O-N 3.47Å
552P63.7Low61.6Low106 Ų106123.6 Ų123.669%0.68863%0.634SS**PPolyproline II helixtrans-55142.6171.5-25.634.8000111.4Q554P552-Q554 PolarHBondContact O-N 2.81Å
553P62.1Low60.2Low118 Ų118124.1 Ų124.177%0.76665%0.645SS**PPolyproline II helixtrans-60.9135.9177.525.6-33.6000110.5M555P553-M555 PolarHBondContact O-N 2.63Å; P553-M555 VanDerWaalsContact O-N 3.14Å
554Q52.1Low58.5Low181 Ų181130.3 Ų130.385%0.84668%0.683SS**PPolyproline II helixtrans-51.3117.7-179.3-67.2-74.9-2.500110.6P552 Y556P552-Q554 PolarHBondContact O-N 2.81Å; Q554-Y556 PolarHBondContact O-N 2.85Å
555M50.8Low56.9Low187 Ų187133.9 Ų133.992%0.92171%0.706SS**  trans-73.6-3.8-176-74.1-177.562.800114.2P553 K557P553-M555 PolarHBondContact O-N 2.63Å; P553-M555 VanDerWaalsContact O-N 3.14Å; M555-K557 PolarHBondContact O-N 2.9Å
556Y61.5Low54.8Low178 Ų178140.7 Ų140.770%0.69874%0.742SS**  trans-8099.7176.5-168.6-100.3000111.4Q554 P558Q554-Y556 PolarHBondContact O-N 2.85Å; Y556-P558 HydrophobicContact CD1-CG 4.25Å; Y556-P558 HydrophobicContact CE1-CB 4.16Å; Y556-P558 HydrophobicContact CE1-CG 4.01Å
557K52.1Low52.8Low189 Ų189141.9 Ų141.982%0.82274%0.742SS**PPolyproline II helixtrans-81.3122.7156.3-68.8-176.4178.7178.40107.9M555 E559M555-K557 PolarHBondContact O-N 2.9Å; K557-E559 PolarHBondContact O-N 3.4Å
558P47.5Very low51.2Low98 Ų98142.3 Ų142.364%0.63674%0.744SS**PPolyproline II helixtrans-56.6134.4168.9-23.334.1000110.3Y556Y556-P558 HydrophobicContact CD1-CG 4.25Å; Y556-P558 HydrophobicContact CE1-CB 4.16Å; Y556-P558 HydrophobicContact CE1-CG 4.01Å
559E46.9Very low49Very low172 Ų172147.8 Ų147.880%0.80477%0.769SS**PPolyproline II helixtrans-69.8130.6-177.8-168.4166.3-178.100110.4K557 V561K557-E559 PolarHBondContact O-N 3.4Å; E559-V561 PolarHBondContact O-N 2.87Å
560Q48Very low47.1Very low182 Ų182146.1 Ų146.185%0.8578%0.779SS**  trans-77.888178.6-71.9-175-7.200109.6L562Q560-L562 PolarHBondContact O-N 2.71Å; Q560-L562 VanDerWaalsContact O-N 3.12Å
561V37.4Very low45.5Very low136 Ų136141 Ų14182%0.82478%0.775SS**  trans-60.7113.8171.2-178.70000108.8E559E559-V561 PolarHBondContact O-N 2.87Å
562L37.2Very low45Very low157 Ų157140.2 Ų140.282%0.82278%0.778SS**  trans-73.4153.4173-73.3168.8000110.8Q560Q560-L562 PolarHBondContact O-N 2.71Å; Q560-L562 VanDerWaalsContact O-N 3.12Å
563S38.9Very low43.8Very low107 Ų107144 Ų14475%0.74879%0.789SS**  trans-54162.9174.8-46.60000112.2
564V37.2Very low42.5Very low133 Ų133145 Ų14581%0.80679%0.788SS**  cis-154.3-17345.1-142.80000110.8
565P45.4Very low42.1Very low105 Ų105143.3 Ų143.368%0.68278%0.784SS**  -113.2-179.2-101.942.6-27.8000116.8
566D35.8Very low41.5Very low146 Ų146144 Ų14478%0.78178%0.778SS**  trans1.3131.9154.1-52-57.4000120.7
567D35Very low40.3Very low143 Ų143143 Ų14377%0.76578%0.784SS**  -166.7138.4100.7-112.7-24.4000112.5
568L40.8Very low39.9Very low148 Ų148138.3 Ų138.378%0.77577%0.774SS**  trans45.1139.7150.3-54.7174.6000120.4
569E31.7Very low39.5Very low172 Ų172138.2 Ų138.280%0.80478%0.782SS**  cis-147.1178.626.9-114.1-63.7170.600110.7
570A35.8Very low38.9Very low92 Ų92135.1 Ų135.176%0.7679%0.786SS**  trans-106149.3-174.700000115.5
571G34.4Very low38.7Very low74 Ų74135.3 Ų135.376%0.76379%0.787SS**  trans-178117.4172.200000114.1
572P51.5Low38.4Very low121 Ų121136.8 Ų136.879%0.78679%0.789SS**  trans-109.3138.1-178.337-29.4000114
573M36.8Very low38.2Very low186 Ų186137.7 Ų137.792%0.91679%0.789SS**  trans160.8154.8155.1-93.2158.1179.500108.7
574D35.6Very low38.3Very low138 Ų138137.6 Ų137.674%0.73879%0.786SS**  cis-174.3-164.4-23.8-158.9-21.5000105.7
575L43.2Very low38Very low145 Ų145138 Ų13876%0.75979%0.789SS**  trans63.575156-66169000117L577L575-L577 PolarHBondContact O-N 2.94Å
576Y39.5Very low37.4Very low202 Ų202141.3 Ų141.379%0.79280%0.795SS**  -23.4122.3123.9179.5-85.5000113.7
577L36.4Very low37.2Very low157 Ų157139.6 Ų139.682%0.82280%0.795SS**  trans-159.9136146.2-111176.3000110.8L575L575-L577 PolarHBondContact O-N 2.94Å
578S43.8Very low37.1Very low90 Ų90140.1 Ų140.163%0.62980%0.797SS**  trans-105.3167.8-176.9-62.20000112.3
579A39Very low36.8Very low97 Ų97139 Ų13980%0.80280%0.799SS**  trans75.3108.9162.300000118.2
580A33Very low36.9Very low106 Ų106138.9 Ų138.988%0.87680%0.802SS**  trans-125.1139.2134.400000107.2
581E44.2Very low37Very low187 Ų187142.4 Ų142.487%0.87480%0.803SS**  trans-91.3133.1-168.3-57.6164.1125.600111.6
582L31.6Very low36.6Very low166 Ų166148.6 Ų148.687%0.86981%0.809SS**  trans-144.1130.2161.7-75.6-178.6000112.1
583Q32.5Very low35.5Very low177 Ų177148 Ų14883%0.82781%0.808SS**  trans-154.2156.6170-72.6-68.7-56.700106.8
584P40.9Very low35.4Very low104 Ų104146.7 Ų146.768%0.67581%0.805SS**  cis-129.4149.5-49.735.4-21.4000111.3
585T31.7Very low35.3Very low142 Ų142146.5 Ų146.587%0.87180%0.804SS**  trans-129.2102-179.724.60000113.7
586E32.9Very low34.8Very low174 Ų174146 Ų14681%0.81380%0.801SS**  trans31.3137137.9-55.7-176174.800122.5
587S31.8Very low34.6Very low110 Ų110143.5 Ų143.577%0.76980%0.802SS**  trans76.4139151.887.80000117.2
588L32.5Very low34.4Very low155 Ų155143 Ų14381%0.81280%0.804SS**  cis-142.6163-8.7-67.7176.6000109.6
589P34Very low33.9Very low125 Ų125145.3 Ų145.381%0.81281%0.814SS**  -121.4122.2129.81.619.3000109.9
590L33Very low33.5Very low168 Ų168144.1 Ų144.188%0.8881%0.812SS**  69108.480.5-152.195.1000112.7
591E37.8Very low33.3Very low167 Ų167147.2 Ų147.278%0.7881%0.814SS**  trans-82.7161.7-178.1-57177.3124.100112.6
592F27.7Very low32.6Very low204 Ų204141 Ų14190%0.89580%0.8SS**  170.7123.5120.4-89.6-59.2000111.4
593S27.9Very low32.6Very low108 Ų108140.8 Ų140.876%0.75580%0.797SS**  trans-162.9116.8163.858.60000110.4
594D34.7Very low32.5Very low159 Ų159140.3 Ų140.385%0.8579%0.794SS**  trans169.9141.5166.5-92.6-9.7000105.9
595D33Very low31.9Very low134 Ų134141.5 Ų141.572%0.71780%0.804SS**  cis-163.8-179.2-3.1-162.82.6000110.2
596L32.5Very low32.1Very low134 Ų134140.1 Ų140.170%0.70280%0.797SS**  trans85112.6160.6-51-172.8000122.9
597D35.4Very low32.1Very low150 Ų150137.9 Ų137.980%0.80280%0.797SS**  26.4129.1123.5-65-29.2000122.8
598V33Very low32.1Very low146 Ų146138 Ų13889%0.88580%0.798SS**  trans-136.7131.4149.2175.30000110.8
599V32.2Very low32.4Very low138 Ų138136.8 Ų136.884%0.83680%0.8SS**  trans-91.9140.7172.9173.80000110.5
600G30.4Very low32.3Very low73 Ų73137.9 Ų137.975%0.75380%0.798SS**  trans-135.3140.9174.500000112
601D30Very low32.3Very low171 Ų171137.4 Ų137.491%0.91480%0.795SS**  trans-95.7160.9-158.4-135.8-29000116.1
602G28.4Very low31.8Very low57 Ų57139.1 Ų139.159%0.58880%0.801SS**  trans-5.3142.9175.100000123.7
603M31.8Very low31.8Very low161 Ų161136.6 Ų136.679%0.79380%0.797SS**  -17112493.4-93.6-58.6-171.300115.3
604Q31.2Very low32Very low167 Ų167137.2 Ų137.278%0.7880%0.798SS**  trans42.7120.7144.8-64.6178.133.200122.7
605C27.9Very low31.8Very low129 Ų129134.7 Ų134.787%0.87279%0.793SS**  trans-142.5162.1146.1-99.70000110.3
606P35Very low31.6Very low113 Ų113136.1 Ų136.173%0.73480%0.8SS**PPolyproline II helixtrans-83.3161.2-153.831.5-37.2000116.3
607P33.7Very low31.4Very low126 Ų126136.6 Ų136.682%0.81881%0.808SS**PPolyproline II helixtrans-80.4143.2-174.832.3-36.3000114.4
608S32.2Very low31.1Very low112 Ų112137.6 Ų137.678%0.78381%0.813SS**PPolyproline II helixtrans-86133.5165-660000110.9
609P38.9Very low30.9Very low130 Ų130139.8 Ų139.884%0.84481%0.813SS**PPolyproline II helixtrans-75.1160-179.430.7-35.1000113.3
610L31.8Very low30.8Very low148 Ų148139.9 Ų139.978%0.77581%0.809SS**PPolyproline II helixtrans-90163.4-167.6-69.4169.6000115.1
611L31.9Very low30.6Very low158 Ų158145.9 Ų145.983%0.82782%0.817SS**  trans-5.1138.3147.5-55.8169.4000117.6
612F28.3Very low30.6Very low203 Ų203145 Ų14589%0.8981%0.811SS**  trans-133.2122.3156.8-92.6-89000110.6
613D28.1Very low30.8Very low152 Ų152147.7 Ų147.781%0.81382%0.816SS**  trans-80.9133.8167.3-86.2-56.3000110.6S615D613-S615 PolarHBondContact O-N 3.01Å
614P32.2Very low30.8Very low120 Ų120148.1 Ų148.178%0.77981%0.814SS**  trans-84.599.6176.432.5-32.7000111.1
615S30.5Very low30.6Very low106 Ų106147.2 Ų147.274%0.74181%0.809SS**  trans-152.1133.2167.9-80.40000111.8D613D613-S615 PolarHBondContact O-N 3.01Å
616L28.9Very low30.8Very low165 Ų165147.3 Ų147.386%0.86480%0.8SS**  trans61.796.1174.5-52.4176.5000116.6
617T27.5Very low30.4Very low144 Ų144146.7 Ų146.788%0.88381%0.805SS**  178.5123.7116.424.90000110
618L30.1Very low30.2Very low171 Ų171149.1 Ų149.190%0.89581%0.805SS**  trans-169.287.3159.3-114.5172.7000109.4
619E27.7Very low29.9Very low191 Ų191151.7 Ų151.789%0.89381%0.81SS**  trans-122.2139.5147.3-75.6-165.4143.800107.5
620D31.1Very low29.7Very low140 Ų140150.5 Ų150.575%0.74980%0.802SS**  trans-2.9139.1173.6-57.7-16.5000120.7
621H26.2Very low29.7Very low199 Ų199150.1 Ų150.192%0.92181%0.806SS**  -148.6137.7103.4-104.3-72.2000112.9
622L28.7Very low29.5Very low152 Ų152149.6 Ų149.680%0.79680%0.804SS**  trans-93.5157.5-177.1-172.778.6000111
623V33Very low29.6Very low114 Ų114148.1 Ų148.169%0.69180%0.803SS**  164.3106.9126.6156.70000113.5
624K32.7Very low29.6Very low170 Ų170148.4 Ų148.474%0.73980%0.804SS**  trans50.3-177.2145.8-48.3176.4179.4-178.90119.9
625E26.6Very low29.4Very low148 Ų148145.7 Ų145.769%0.69280%0.798SS**  cis-138.3160.60.7-78-167.7162.800108.8
626I32.5Very low29.4Very low131 Ų131148.7 Ų148.767%0.67280%0.8SS**  cis-163.3150-14.8-104.4164.9000108.1
627A26.4Very low29.3Very low101 Ų101147.3 Ų147.384%0.83579%0.791SS**  trans-163.7139.6154.400000110.5
628E29.7Very low29.3Very low176 Ų176148 Ų14882%0.82278%0.784SS**  trans-128.5152.4-173-56.9-174.513100111.8
629D24.9Very low29.1Very low166 Ų166148.4 Ų148.489%0.88878%0.784SS**  trans-171.6152.7132.2-105.9-25.8000111.9
630P35.9Very low29.2Very low105 Ų105144.4 Ų144.468%0.68278%0.783SS**  trans-112.7165.3-169.141.1-33.8000115.6
631V31.5Very low28.9Very low140 Ų140140.7 Ų140.785%0.84878%0.778SS**  trans-140.9119.3160.61800000110.5
632D27.7Very low29.1Very low148 Ų148139.8 Ų139.879%0.79178%0.78SS**  trans-80145170.4-74.5-64.7000112.6
633I29.4Very low28.9Very low171 Ų171135.4 Ų135.488%0.87777%0.772SS**  trans-139.3128.8141.3-62.6-172.5000108.8
634L29.3Very low28.7Very low158 Ų158136.2 Ų136.283%0.82778%0.781SS**  trans-119.3135.7177.1-170.786.8000111
635G27.2Very low28.5Very low63 Ų63138.8 Ų138.865%0.64979%0.786SS**  trans-173.6124.3165.100000108
636Q30.9Very low28.6Very low170 Ų170135.8 Ų135.879%0.79478%0.781SS**  56.5128.957.5-56.5-165.37.300111.6
637M25.6Very low28.5Very low135 Ų135139 Ų13967%0.66579%0.794SS**  cis-158.7154.220.3-163.8156.161.400113.5
638Q27.3Very low28.4Very low159 Ų159137.6 Ų137.674%0.74379%0.789SS**  trans50.2136.3158.5-72.6153.4-1.600119.9
639M27.2Very low28.4Very low180 Ų180134.3 Ų134.389%0.88779%0.786SS**  cis80.180.538.7-64.6-64.9-65.600116
640A29.3Very low28.6Very low106 Ų106136.7 Ų136.788%0.87678%0.782SS**  trans-147.5152.814500000107.2
641G25.6Very low28.1Very low63 Ų63138.4 Ų138.465%0.64979%0.786SS**  cis138120.9400000108.5
642D29.1Very low28Very low179 Ų179136.3 Ų136.396%0.95778%0.778SS**  trans61.3158.4-178.7-57.8-37.5000116.8
643G26.2Very low28Very low61 Ų61136.4 Ų136.463%0.62977%0.773SS**  cis159.9130.5-12.400000112.9
644C27.9Very low28Very low130 Ų130136.8 Ų136.888%0.87877%0.769SS**  trans62.2171.6171.6-69.90000117.6
645R27.7Very low27.9Very low224 Ų224133.6 Ų133.685%0.84577%0.765SS**  -167.6154-55.5-143.8-178.6-172.5-1434.5108.5
646S30.1Very low27.9Very low85 Ų85136.1 Ų136.159%0.59477%0.772SS**  trans75.5129.2156.5-50.50000120.1
647Q29Very low27.7Very low198 Ų198132.6 Ų132.693%0.92577%0.772SS**  trans45140.5132.3-55.5172.90.100120.5
648G24.4Very low28.5Very low72 Ų72132.1 Ų132.174%0.74278%0.779SS**  cis138.1160.1-0.200000113
649S29.4Very low28.6Very low108 Ų108132.2 Ų132.276%0.75578%0.784SS**  trans88.5112.5163.3-168.20000121.8
650R29.4Very low28.7Very low215 Ų215128.4 Ų128.481%0.81178%0.775SS**  trans71.6114.5133.5-73.2179.2167.3-176-4.7124.8
651N26.6Very low28.9Very low141 Ų141132 Ų13275%0.75477%0.774SS**  61.5152110.5-60.319.4000124.6
652S28.5Very low29.1Very low97 Ų97134.4 Ų134.468%0.67878%0.781SS**  trans74.7146156.3-71.20000117.5
653E28.6Very low29.1Very low150 Ų150129 Ų12970%0.70177%0.767SS**  cis-169.7176.3-18.2-128.3168.394.300111.8
654K28.9Very low29.5Very low179 Ų179134.8 Ų134.878%0.77878%0.782SS**  trans62.3103.4155.3-73.8177.2179.6176.10122.4
655A26.2Very low29.6Very low90 Ų90133 Ų13374%0.74478%0.777SS**  61.8138.3102.100000124.7
656S28.3Very low29.8Very low116 Ų116128.8 Ų128.881%0.81178%0.777SS**  trans87.9105.7145.1-59.40000122.7
657A27.2Very low29.9Very low96 Ų96129.5 Ų129.579%0.79379%0.788SS**  33.6149.7118.900000121.6
658P41.8Very low30.1Very low125 Ų125128.2 Ų128.281%0.81279%0.787SS**  cis-148-162.84143.1-20.9000118.7
659L29.4Very low30.4Very low162 Ų162128.2 Ų128.285%0.84879%0.787SS**  trans-68.1168.3-169.7-67.7115.4000116.8
660S30Very low30.8Very low99 Ų99131.3 Ų131.369%0.69279%0.787SS**  172.5175.772.752.70000116.4
661Q32.2Very low31.8Very low182 Ų182126.5 Ų126.585%0.8578%0.784SS**  trans77.6147.3169.9-54.6-170.924.300117.1
662S30.4Very low32.3Very low114 Ų114126.6 Ų126.680%0.79778%0.779SS**  cis-165.2168.3-14.249.40000108.5
663G29.3Very low33.6Very low64 Ų64127 Ų12766%0.6678%0.779SS**  cis165.3169-8.100000112.1
664L34.8Very low33.9Very low183 Ų183125.5 Ų125.596%0.95878%0.781SS**  trans65.9154.4163.7-67.8159.6000118.2
665A30Very low34.4Very low93 Ų93121.3 Ų121.377%0.76977%0.774SS**  cis-142.6-178.45.600000113
666T31.8Very low35.2Very low136 Ų136124.4 Ų124.483%0.83478%0.776SS**  trans-118.2146.8-167.452.70000115.4
667A32.7Very low35.8Very low100 Ų100128 Ų12883%0.82680%0.801SS**  trans175.6161.7143.500000111.6
668N32.3Very low36.3Very low170 Ų170129.6 Ų129.691%0.90980%0.802SS**  cis-167150.8-43.7-156.6-5.2000107.8
669G30.4Very low36Very low72 Ų72129.8 Ų129.874%0.74280%0.801SS**  trans126.3121166.600000118.9
670K37.5Very low36.3Very low174 Ų174128 Ų12876%0.75780%0.799SS**  trans-127.8174.7161-118.7-157.7172-160.10106.3E672K670-E672 IonicContact NZ-OE1 2.68Å; K670-E672 PolarHBondContact NZ-OE1 3.36Å
671P51.9Low36.7Very low114 Ų114129.7 Ų129.774%0.7481%0.805SS**  cis-136.1179.410.740.2-20.2000117.4
672E36.6Very low37Very low143 Ų143126.4 Ų126.467%0.66880%0.802SS**  trans-21.7173.3148.3-73.2171.8-135.100119.8K670K670-E672 IonicContact NZ-OE1 2.68Å; K670-E672 PolarHBondContact NZ-OE1 3.36Å
673P56.5Low37.4Very low104 Ų104127.3 Ų127.368%0.67580%0.802SS**  cis-145.8-170.72537.7-13.6000119.4
674T34.8Very low38Very low119 Ų119131.8 Ų131.873%0.7381%0.813SS**  trans75.796.1148.535.60000122.5
675S38.5Very low38.2Very low91 Ų91127.8 Ų127.864%0.63680%0.801SS**  65.1134.6108.572.60000123.8
676I42.1Very low38.9Very low155 Ų155130.8 Ų130.880%0.79580%0.804SS**  trans72.2102.1151.7-56.7152000117.2
677S42.1Very low39.6Very low191 Ų191130.3 Ų130.3100%1.33680%0.801SS**  -157.30103.3-70.30000110.1

Retrieved 677 of 677 residues in 671.3 ms (Link to these results)