X5DNE0_HUMAN Loading...

Benzodiazapine receptor peripheral-associated protein 1 isoform I

AlphaFold DB , UniProt , Accession X5DNE0, Species HUMAN (Homo sapiens, Human), Gene BZRAP1, Length 959 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
1M32.8Very low36.5Very low217 Ų217146.9 Ų146.9100%1.06980%0.802SS**  064.70-56.7168.8-173.100108.3
2E35Very low35.9Very low156 Ų156148.3 Ų148.373%0.72981%0.808SS**  78.214455.4-67161.3101.500112.6
3Q37.9Very low36.5Very low147 Ų147146.3 Ų146.369%0.68781%0.807SS**  cis-166.9158.1-3-115.3-177.782.900106.4
4L38Very low36Very low132 Ų132141.4 Ų141.469%0.69181%0.807SS**  cis-140.7157.73.8-87.3167.7000107.3
5T37.9Very low35.8Very low112 Ų112138.9 Ų138.969%0.68781%0.81SS**  59.5124.979.7-31.50000113.5
6T33.3Very low35.4Very low135 Ų135141.1 Ų141.183%0.82881%0.813SS**  -153.7168.350.4-42.50000114.5
7L34.1Very low35.6Very low159 Ų159140.4 Ų140.483%0.83280%0.801SS**  trans-97.8-178.5-174.9-77164000113.4
8P47.3Very low36.3Very low125 Ų125139 Ų13981%0.81280%0.798SS**  cis-135.6-179.37.127.8-2000118.9
9R34.3Very low36Very low231 Ų231143.6 Ų143.687%0.87280%0.801SS**  trans-70.3-177172-93.7179.5168.9-178.5-4.3115.4
10P43.1Very low35.6Very low122 Ų122140.6 Ų140.679%0.79280%0.796SS**  cis-138.4177.5-32.738-20.7000114.7
11G27.7Very low35.4Very low80 Ų80141.8 Ų141.883%0.82580%0.799SS**  trans169.1131.6159.700000117.6
12D28.8Very low36.3Very low163 Ų163136.1 Ų136.187%0.87278%0.778SS**  trans-97.7171.2163.7-92.5-50.5000110
13P43.6Very low36Very low123 Ų123134.1 Ų134.180%0.79978%0.777SS**  cis-130.6-174.6-31.638.3-22.4000111.7
14G30.6Very low35.4Very low78 Ų78137.9 Ų137.980%0.80479%0.785SS**  trans-168.6142.1167.200000113.9
15A32.1Very low35Very low103 Ų103138.8 Ų138.885%0.85179%0.786SS**  cis-150.9154.6-5.700000111.8
16M29.3Very low34.5Very low174 Ų174138.1 Ų138.186%0.85779%0.785SS**  trans-118.4160.6168-78.5178.159.100110.1
17E39.8Very low34.1Very low129 Ų129143.8 Ų143.860%0.60379%0.792SS**  trans13.8141.6140.2-70.5-73.3132.300118.7W19E17-W19 PolarHBondContact OE2-NE1 3.42Å
18P47.6Very low34.1Very low116 Ų116142.1 Ų142.175%0.75379%0.788SS**  -156.1-164.868.743.2-21.7000118.1
19W31.4Very low33.9Very low226 Ų226142.4 Ų142.486%0.85679%0.79SS**  trans-86.2161.8-162.6-54.3-71.4000119.4E17E17-W19 PolarHBondContact OE2-NE1 3.42Å
20A28.1Very low33.6Very low84 Ų84134.9 Ų134.969%0.69478%0.784SS**  trans91.4116.513500000123.7
21L31.1Very low33Very low165 Ų165141.2 Ų141.286%0.86479%0.793SS**  trans66.3162.3133.6-64.8176.1000120.4
22P51Low32.9Very low98 Ų98141 Ų14164%0.63679%0.791SS**  cis-139.3-167.1-30.337.6-17.6000115.1
23T28.1Very low32.8Very low114 Ų114137.2 Ų137.270%0.69979%0.789SS**  trans78.6122.9149.946.30000124.8
24W26.6Very low32.3Very low226 Ų226140.1 Ų140.186%0.85679%0.793SS**  trans88.1113.3131.9-74.834.1000124
25H29.2Very low33.6Very low152 Ų152141.1 Ų141.170%0.70479%0.785SS**  trans50.8111.5130.3-66.1-69.4000125
26S26.9Very low33.4Very low98 Ų98141.7 Ų141.769%0.68578%0.783SS**  90.4142.9113.676.20000124.5
27W25.1Very low33.5Very low253 Ų253139.1 Ų139.196%0.95878%0.782SS**  trans92.8147147.3-83.524.3000122.9
28T34.9Very low33Very low124 Ų124137.9 Ų137.976%0.76179%0.793SS**  trans-101.1169.5-178.154.20000112.1
29P42.4Very low32.1Very low131 Ų131136.9 Ų136.985%0.85180%0.795SS**  -147.5154.2112.135-17.8000115.6
30G28.1Very low32.9Very low73 Ų73131.8 Ų131.875%0.75379%0.791SS**  trans-99.8-148.1-172.800000118.2
31R29.8Very low33.2Very low256 Ų256133 Ų13397%0.96680%0.795SS**  trans75.5134-174.2-166.5-169.6-63.8-100.53.6113.8
32G26.7Very low33.2Very low76 Ų76132.6 Ų132.678%0.78479%0.792SS**  cis161.6152.3-7.100000111.3
33G26.6Very low32.2Very low82 Ų82131.7 Ų131.785%0.84579%0.793SS**  trans-179.1144.6178.200000115
34E33.7Very low32.1Very low185 Ų185133.4 Ų133.486%0.86480%0.797SS**  trans-152.3-177.2-176.3-113.1-144.8136.800107.9
35P57.5Low32.4Very low99 Ų99128.4 Ų128.464%0.64379%0.792SS**  cis-132.3-179.3-7.438.5-21.9000114.3
36S27.2Very low33.8Very low115 Ų115126.2 Ų126.280%0.80479%0.791SS**  176.8110.2128.6-80.60000116.5
37S31.8Very low34.9Very low119 Ų119127 Ų12783%0.83279%0.794SS**  trans19.2119.4140.31740000122.4
38A28.5Very low35Very low103 Ų103119.2 Ų119.285%0.85178%0.784SS**  -176.1152.5113.800000113.5
39A28.4Very low34.6Very low95 Ų95117.3 Ų117.379%0.78578%0.78SS**  trans-143.7165.317200000110.1
40P50.2Low33.8Very low120 Ų120119 Ų11978%0.77978%0.781SS**  -130.4158.3827.417.2000113.7
41S34.1Very low33.8Very low110 Ų110123.7 Ų123.777%0.76978%0.783SS**  72136.366.1-1430000113.3
42I29.6Very low33.5Very low156 Ų156118.8 Ų118.880%0.878%0.776SS**  cis-140.6157.835.4-70.6169.1000113.5
43A30.4Very low33.3Very low79 Ų79121.9 Ų121.965%0.65377%0.77SS**  trans-23.3173.4166.200000121.5
44D26.9Very low33.1Very low149 Ų149125.4 Ų125.480%0.79776%0.764SS**  cis-151.6-172.919-141.8-37000115.2
45T31.5Very low32.7Very low121 Ų121124.5 Ų124.574%0.74277%0.765SS**  trans-134.6-167.7-141.6-4.50000115.6
46P59.2Low31Very low106 Ų106130.7 Ų130.769%0.68878%0.775SS**  trans-116.6-175.4-150.544.2-26.5000115.1
47P49.9Very low30.8Very low115 Ų115129 Ų12975%0.74776%0.763SS**  -138.4172.3104.244.2-33.6000112
48A27.4Very low30.3Very low90 Ų90131.4 Ų131.474%0.74476%0.761SS**  cis72.8154.525.200000115.2
49A27.9Very low29.9Very low83 Ų83134.9 Ų134.969%0.68676%0.76SS**  cis-169.8169.6-30.400000110.4
50L25.6Very low29.6Very low166 Ų166134.6 Ų134.687%0.86975%0.752SS**  trans71.1170.6154.4-73.5165.3000120.6
51Q26.1Very low28.3Very low172 Ų172134.6 Ų134.680%0.80476%0.755SS**  trans82.4136.6174.5-54-167.216.600116.4
52L24.8Very low27.9Very low153 Ų153138.7 Ų138.780%0.80176%0.759SS**  cis-147.6172.9-6.5-120.8170.9000112.6
53Q21.8Very low28.6Very low142 Ų142136.3 Ų136.366%0.66475%0.753SS**  trans-102.2162.7-166.7151.2-175.5-11.400111.8
54E23.5Very low28.3Very low155 Ų155142.5 Ų142.572%0.72477%0.766SS**  trans69150.3169.9-80.8155.3-152.500116.5
55L24.9Very low28.3Very low167 Ų167138.9 Ų138.987%0.87476%0.764SS**  cis-130.6-175.530.6-81.8167.2000115.3
56R21Very low28Very low228 Ų228141.1 Ų141.186%0.8677%0.771SS**  trans-118.4176.5-175.4-164.7-158.2-86.8-136.9-4.3111.2
57S22.9Very low26.5Very low79 Ų79139.2 Ų139.255%0.55277%0.771SS**  trans95.4113.3158.6-65.70000114.5
58E21.7Very low25.3Very low170 Ų170139.4 Ų139.479%0.79478%0.775SS**  83.2148.289.2-72160.9123.800111
59E21.2Very low25.4Very low177 Ų177141 Ų14183%0.82778%0.781SS**  cis-148.4-164.519.1-148.1-150.78200113.3
60S21.4Very low25.4Very low89 Ų89147.5 Ų147.562%0.62279%0.787SS**  trans-54.7153-177.8-173.20000117.1
61S23.1Very low26.4Very low119 Ų119145.3 Ų145.383%0.83278%0.783SS**  165.9174.6110.657.20000116.1
62K25.7Very low26.6Very low196 Ų196143.4 Ų143.485%0.85278%0.783SS**  trans-142.9171.7-178.9-131170.8-176.9171.70105.5
63P43.8Very low26.7Very low106 Ų106139.9 Ų139.969%0.68878%0.784SS**  cis-148.7-16210.742.7-20000116.7
64K25.1Very low27Very low209 Ų209136.3 Ų136.391%0.90979%0.785SS**  trans77.8129.3145.3-91.3-171.8170.4-171.40123.4
65G25.4Very low27.3Very low73 Ų73135.7 Ų135.775%0.75379%0.792SS**  trans90.7157.5137.700000118.8
66D25.8Very low27.8Very low169 Ų169135.2 Ų135.290%0.90479%0.79SS**  cis-165153.2-24.5-145.6-25.9000112.1
67G27Very low29.2Very low66 Ų66129.7 Ų129.768%0.6878%0.784SS**  trans61.8178.6167.100000119.9
68S26.3Very low29.4Very low119 Ų119135.2 Ų135.283%0.83280%0.801SS**  cis-175.1142.7-31.4-177.10000111
69S27.8Very low29.7Very low124 Ų124130.1 Ų130.187%0.86779%0.794SS**  trans169.3155.9136.547.10000114.3
70R29.7Very low30Very low219 Ų219126.4 Ų126.483%0.82679%0.794SS**  trans-163.3146-179.1-171.5-174.4-173.9-166.65.4110.2
71P45.8Very low30.2Very low119 Ų119131.5 Ų131.577%0.77381%0.808SS**  trans-126.8156.8134517.1000111
72V31Very low30.3Very low133 Ų133130.4 Ų130.481%0.80681%0.805SS**  cis110.4126.812.81710000113.3
73G25.7Very low30.3Very low79 Ų79127.3 Ų127.381%0.81481%0.807SS**  trans122.6134.4177.900000112.9
74G28.5Very low29.5Very low67 Ų67129.6 Ų129.669%0.69181%0.813SS**  cis165.5146-10.200000113.8
75T29.4Very low30.2Very low141 Ų141126 Ų12687%0.86581%0.811SS**  trans58.1115160.855.80000121.8
76D35.9Very low30.4Very low157 Ų157127.3 Ų127.384%0.8481%0.808SS**  trans-83.4162.3138.9-60.4-69.7000110.3
77P49.4Very low30.4Very low112 Ų112128.2 Ų128.273%0.72781%0.812SS**  -128.9150.6115.23.319.4000112.6
78E28.8Very low30.4Very low196 Ų196128 Ų12892%0.91681%0.81SS**  67.213169.4-161.1176-145.700113.6
79G26.9Very low30.5Very low63 Ų63132 Ų13265%0.64982%0.816SS**  cis-175.5-154.83.100000112.6
80A27Very low30.7Very low99 Ų99135.3 Ų135.382%0.81882%0.817SS**  trans67.9119-178.100000116.4
81E26.5Very low30.5Very low196 Ų196129.5 Ų129.592%0.91682%0.816SS**  85.7114.655.5-77.1-143.2133.100115.6
82A24.7Very low29.8Very low95 Ų95129.9 Ų129.979%0.78582%0.822SS**  170.8132.7116.900000114.7
83C25Very low29.6Very low131 Ų131128.2 Ų128.289%0.88582%0.816SS**  trans37133.1148.5-62.40000124.4
84L28.7Very low29.7Very low155 Ų155130 Ų13081%0.81282%0.816SS**  trans-73.1167.6152.9-60.1167.8000111
85P39.1Very low29.8Very low133 Ų133130.3 Ų130.386%0.86482%0.819SS**  -142.1173.295.938.6-25.2000115.1
86S29.2Very low30Very low101 Ų101129.8 Ų129.871%0.70682%0.818SS**  trans-111.1134.1-169.3-48.60000114
87L26.9Very low29.5Very low187 Ų187126.7 Ų126.798%0.97982%0.815SS**  trans-173.9150.4153-126.966.8000108
88G26.1Very low28.5Very low62 Ų62127.8 Ų127.864%0.63982%0.823SS**  cis170.7166.9-9.400000112.1
89Q29.3Very low28.6Very low204 Ų204127.2 Ų127.295%0.95382%0.821SS**  trans71.6160.7167.6-59.2-174.1-1.600119.6
90Q30.5Very low28.7Very low192 Ų192135.5 Ų135.590%0.89783%0.832SS**  trans-102.8152.5-178.1-60.2165.5-26.400110.1
91A25.9Very low29.4Very low98 Ų98135.8 Ų135.881%0.8183%0.826SS**  trans-146141.9159.900000110.6
92S31.6Very low29.9Very low127 Ų127135 Ų13589%0.88882%0.822SS**  trans-118.6119177.1-61.20000110.1
93S26.5Very low30.5Very low98 Ų98136.7 Ų136.769%0.68582%0.818SS**  trans-162.8111.8176.3420000108.1
94S28.3Very low31.4Very low116 Ų116139 Ų13981%0.81182%0.816SS**  56.6100.789.372.20000112.9
95G29.5Very low32.1Very low73 Ų73140 Ų14075%0.75382%0.817SS**PPolyproline II helixtrans-84.8162.4175.700000113.2
96P33.9Very low32.4Very low130 Ų130138.8 Ų138.884%0.84481%0.806SS**PPolyproline II helixtrans-88151.4170.835.3-32.7000111.8
97A26.6Very low33Very low93 Ų93138.4 Ų138.477%0.76979%0.793SS**PPolyproline II helixtrans-86.2136.7169.400000111
98C27.1Very low33.8Very low135 Ų135132.6 Ų132.691%0.91277%0.772SS**PPolyproline II helixtrans-76.7124.2168.1-69.50000110.3
99Q30.5Very low34.7Very low183 Ų183137.5 Ų137.586%0.85578%0.776SS**PPolyproline II helixtrans-80.3156174.7-64.2172.5-8.200110.9
100R30.6Very low35.6Very low237 Ų237133 Ų13389%0.89476%0.758SS**  trans-106.9126165.6-70.8-170.8-157.8142.94.7109.7
101P41.5Very low36.2Very low105 Ų105131.6 Ų131.668%0.68275%0.749SS**  -80.7168.112141.9-34.1000108.1
102E36.8Very low37.2Very low180 Ų180130.6 Ų130.684%0.84174%0.741SS**  cis-141.3132.617.7-63157.6-170.400108.5
103D37.9Very low37.8Very low131 Ų131133 Ų13370%0.70174%0.735SS**SBendtrans-156-16.3170.5-103.9-52.1000112.6
104E42.6Very low38.7Very low179 Ų179135.4 Ų135.484%0.83674%0.74SS**Hα-helixtrans-83.8-29.9-169.3-63.7-167.2128.600116V106E104-V106 VanDerWaalsContact C-N 3.25Å; E104-V106 PolarHBondContact O-N 3.41Å
105E43.8Very low39.6Very low177 Ų177136.6 Ų136.683%0.82774%0.737SS**Hα-helixtrans-67.9-22.3-175.6-69-164.4124.100113.7
106V45.2Very low40Very low107 Ų107141.4 Ų141.465%0.64874%0.742SS**Hα-helixtrans-81.2-38.5-175.2-172.50000112.6E104 A108E104-V106 VanDerWaalsContact C-N 3.25Å; E104-V106 PolarHBondContact O-N 3.41Å; V106-A108 VanDerWaalsContact C-N 3.34Å
107E41.6Very low40.3Very low93 Ų93140.3 Ų140.344%0.43574%0.738SS.*Hα-helixtrans-69.4-32.1175-92.5-80.3146.600111.8F109 L110 K111 R134E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 3.46Å; E107-L110 PolarHBondContact O-N 3.44Å; E107-K111 PolarHBondContact O-N 3.32Å; E107-R134 IonicContact OE1-CZ 3.86Å; E107-R134 IonicContact OE1-NH2 2.68Å; E107-R134 PolarHBondContact OE1-NH2 3.11Å; E107-R134 IonicContact OE2-NH2 3.63Å
108A44.8Very low40.8Very low64 Ų64146.2 Ų146.253%0.52975%0.746SS.*Hα-helixtrans-60.1-42.5176.400000112.2V106 L110 K111V106-A108 VanDerWaalsContact C-N 3.34Å; A108-L110 PolarHBondContact O-N 3.43Å; A108-K111 PolarHBondContact O-N 3.38Å
109F43.3Very low41.5Very low165 Ų165143 Ų14372%0.72474%0.736SS**Hα-helixtrans-69-33.1-176-156.5-96.2000113.3E107E107-F109 VanDerWaalsContact C-N 3.34Å; E107-F109 PolarHBondContact O-N 3.46Å
110L48.9Very low42.4Very low111 Ų111142.3 Ų142.358%0.58174%0.738SS**Hα-helixtrans-74.1-34177.2-68174000112.4E107 A108 A112E107-L110 PolarHBondContact O-N 3.44Å; A108-L110 PolarHBondContact O-N 3.43Å; L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.25Å
111K44.4Very low43.4Very low161 Ų161142.1 Ų142.170%0.774%0.737SS**Hα-helixtrans-66.5-30.8-179.7-126.3165.9-174164.30113.4E107 A108 K113E107-K111 PolarHBondContact O-N 3.32Å; A108-K111 PolarHBondContact O-N 3.38Å; K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.48Å
112A44.9Very low44.1Very low78 Ų78142.3 Ų142.365%0.64574%0.739SS**THydrogen-bonded Turntrans-73.5-18.8-176.900000114.5L110L110-A112 VanDerWaalsContact C-N 3.32Å; L110-A112 PolarHBondContact O-N 3.25Å
113K44.9Very low45.3Very low177 Ų177138.2 Ų138.277%0.7772%0.723SS**THydrogen-bonded Turntrans-102.43.9-167.7-147.6174.1-177.9178.70115.6K111K111-K113 VanDerWaalsContact C-N 3.34Å; K111-K113 PolarHBondContact O-N 3.48Å
114L46Very low47Very low149 Ų149137.3 Ų137.378%0.7872%0.717SS**SBendtrans-94.93.6178.2-77.7167.8000114.5M116L114-M116 PolarHBondContact O-N 3.04Å
115N46.7Very low48.4Very low141 Ų141135.8 Ų135.875%0.75471%0.71SS**  trans-96.945.6179.5-76.7-4.6000113.5
116M37.8Very low49.9Very low173 Ų173132.7 Ų132.785%0.85270%0.699SS**  trans-132.4118166.5-81.3-75.299.700109.8L114L114-M116 PolarHBondContact O-N 3.04Å
117S40.9Very low51.6Low108 Ų108132.8 Ų132.876%0.75570%0.695SS**  trans-83.1134.2-170.853.10000113.3
118F37Very low53.5Low217 Ų217135.6 Ų135.695%0.95270%0.702SS**  trans-168.3133.8137.8-119.1-77.3000111.7
119G40.5Very low55.3Low68 Ų68134.9 Ų134.970%0.70170%0.696SS**  trans89.885.7160.700000117.5R121G119-R121 PolarHBondContact O-N 2.68Å
120D49.8Very low57.3Low168 Ų168131.4 Ų131.490%0.89869%0.685SS**  trans-70.695.3174.2-68.7-73.8000114.1
121R51.3Low59.2Low232 Ų232128 Ų12888%0.87568%0.675SS**  trans-140.9113.2136.9-78.3-163.5177.6-158.2-2.4109.1G119 N123G119-R121 PolarHBondContact O-N 2.68Å; R121-N123 PolarHBondContact O-N 2.73Å
122P56.6Low61.3Low110 Ų110123.7 Ų123.771%0.71466%0.658SS**  trans-66.9111.9176.127.4-32.7000108.7L124P122-L124 PolarHBondContact O-N 3.05Å
123N61.6Low63.4Low93 Ų93124.9 Ų124.950%0.49765%0.653SS.*  trans-72.484.9174-168.5-12.2000108.6R121 E125 L126 L127R121-N123 PolarHBondContact O-N 2.73Å; N123-E125 PolarHBondContact O-N 3Å; N123-L126 HydrophobicContact CB-CB 3.92Å; N123-L126 WeakPolarHBondContact O-CA 3.28Å; N123-L126 WeakPolarHBondContact O-CB 3.36Å; N123-L126 PolarHBondContact O-N 3.24Å; N123-L126 PolarHBondContact OD1-N 2.92Å; N123-L127 PolarHBondContact O-N 3.01Å
124L73.8Confident65.7Low113 Ų113123.6 Ų123.659%0.59264%0.643SS**Hα-helixtrans-61-30.3-171.5-174.764.5000112.1P122 R128P122-L124 PolarHBondContact O-N 3.05Å; L124-R128 VanDerWaalsContact O-CB 3.3Å; L124-R128 WeakPolarHBondContact O-CB 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å
125E72.2Confident67.8Low146 Ų146122.7 Ų122.768%0.68264%0.635SS**Hα-helixtrans-68.8-42.2173.7-64.1175.9175.700111.2N123 R128 A129N123-E125 PolarHBondContact O-N 3Å; E125-R128 PolarHBondContact O-N 2.7Å; E125-A129 VanDerWaalsContact O-CB 3.32Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.15Å
126L75.7Confident69.9Low112 Ų112122.5 Ų122.559%0.58662%0.624SS**Hα-helixtrans-63.6-42.5174.3-165.975.8000111.5N123 A129 L130N123-L126 HydrophobicContact CB-CB 3.92Å; N123-L126 WeakPolarHBondContact O-CA 3.28Å; N123-L126 WeakPolarHBondContact O-CB 3.36Å; N123-L126 PolarHBondContact O-N 3.24Å; N123-L126 PolarHBondContact OD1-N 2.92Å; L126-A129 PolarHBondContact O-N 2.95Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 PolarHBondContact O-N 3.26Å
127L80.1Confident72.2Confident109 Ų109117.1 Ų117.157%0.57160%0.602SS**Hα-helixtrans-64.8-39.5175.5-70.8173.4000112.1N123 L130 G131N123-L127 PolarHBondContact O-N 3.01Å; L127-L130 PolarHBondContact O-N 2.99Å; L127-G131 PolarHBondContact O-N 2.76Å
128R81.7Confident74.5Confident152 Ų152114.6 Ų114.657%0.57459%0.588SS**Hα-helixtrans-63.4-48.3173.9-170.4-174.2-56.7175.64.8111.1L124 E125 L130 G131 E132L124-R128 VanDerWaalsContact O-CB 3.3Å; L124-R128 WeakPolarHBondContact O-CB 3.35Å; L124-R128 PolarHBondContact O-N 3.42Å; E125-R128 PolarHBondContact O-N 2.7Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.87Å; R128-G131 CarbonylContact O-C 3.59Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 2.87Å; R128-G131 VanDerWaalsContact O-N 3.09Å; R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 3.36Å
129A83.4Confident77.1Confident50 Ų50108 Ų10841%0.41356%0.562SS.*Hα-helixtrans-61.3-36.4176.900000112.5E125 L126 L133E125-A129 VanDerWaalsContact O-CB 3.32Å; E125-A129 WeakPolarHBondContact O-CB 3.3Å; E125-A129 PolarHBondContact O-N 3.15Å; L126-A129 PolarHBondContact O-N 2.95Å; A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 3.17Å
130L86.3Confident79.2Confident92 Ų92109.1 Ų109.148%0.48255%0.551SS.*Hα-helixtrans-69-36.3174.1-130.9167.3000111.9L126 L127 R128 R134L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 PolarHBondContact O-N 3.26Å; L127-L130 PolarHBondContact O-N 2.99Å; R128-L130 VanDerWaalsContact C-N 3.3Å; R128-L130 PolarHBondContact O-N 2.87Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.27Å
131G87.3Confident81.1Confident38 Ų38108.1 Ų108.139%0.39254%0.539SS..Hα-helixtrans-64-51.6171.100000112.4L127 R128 L133 R134 Q135L127-G131 PolarHBondContact O-N 2.76Å; R128-G131 CarbonylContact O-C 3.59Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 2.87Å; R128-G131 VanDerWaalsContact O-N 3.09Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.05Å; G131-R134 PolarHBondContact O-N 3.42Å; G131-Q135 WeakPolarHBondContact O-CB 3.31Å; G131-Q135 PolarHBondContact O-N 3.06Å
132E89.2Confident82.9Confident72 Ų72103.5 Ų103.534%0.33653%0.527SS..Hα-helixtrans-59.1-41.4175.1-71.9178.3-143.200112.2R128 Q135 R136R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 3.36Å; E132-Q135 PolarHBondContact O-N 3.05Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; E132-R136 IonicContact OE2-CZ 2.73Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 3.13Å; E132-R136 PolarHBondContact OE2-NH1 2.63Å; E132-R136 IonicContact OE2-NH2 3.93Å; E132-R136 PolarHBondContact OE2-NH2 2.83Å
133L89.7Confident84.1Confident102 Ų102102.7 Ų102.753%0.53451%0.514SS..Hα-helixtrans-66.6-43.1177.3-176.861.1000111.2A129 G131 Q135 R136 C137A129-L133 WeakPolarHBondContact O-CB 3.44Å; A129-L133 PolarHBondContact O-N 3.17Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.05Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.17Å; L133-R136 PolarHBondContact O-N 3.42Å; L133-C137 VanDerWaalsContact O-CB 3.32Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.21Å
134R91.6Very high84.9Confident151 Ų151101.7 Ų101.757%0.5751%0.509SS*.Hα-helixtrans-59.9-39.9171.9-92.5-180155.5170.7-8.1111.8E107 L130 G131 C137 A138E107-R134 IonicContact OE1-CZ 3.86Å; E107-R134 IonicContact OE1-NH2 2.68Å; E107-R134 PolarHBondContact OE1-NH2 3.11Å; E107-R134 IonicContact OE2-NH2 3.63Å; L130-R134 WeakPolarHBondContact O-CB 3.32Å; L130-R134 PolarHBondContact O-N 3.27Å; G131-R134 PolarHBondContact O-N 3.42Å; R134-C137 PolarHBondContact O-N 3.48Å; R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 3.48Å
135Q91.5Very high85.3Confident129 Ų129101.1 Ų101.160%0.60350%0.503SS*.Hα-helixtrans-67.7-45.9176.7-171.6173.9-0.900112.1G131 E132 L133 C137 A138 I139G131-Q135 WeakPolarHBondContact O-CB 3.31Å; G131-Q135 PolarHBondContact O-N 3.06Å; E132-Q135 PolarHBondContact O-N 3.05Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 3.17Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 3.08Å; Q135-A138 WeakPolarHBondContact O-CB 3.35Å; Q135-A138 PolarHBondContact O-N 3.36Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; Q135-I139 HydrophobicContact CG-CD1 4.13Å; Q135-I139 WeakPolarHBondContact O-CG1 3.19Å; Q135-I139 PolarHBondContact O-N 3.5Å
136R89.4Confident85.3Confident138 Ų13899.5 Ų99.552%0.52150%0.497SS..Hα-helixtrans-59.7-41.8173.1-72173.1-174.6120.313111.3E132 L133 I139 L140E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.48Å; E132-R136 PolarHBondContact O-N 3.04Å; E132-R136 IonicContact OE2-CZ 2.73Å; E132-R136 VanDerWaalsContact OE2-CZ 3.24Å; E132-R136 IonicContact OE2-NH1 3.13Å; E132-R136 PolarHBondContact OE2-NH1 2.63Å; E132-R136 IonicContact OE2-NH2 3.93Å; E132-R136 PolarHBondContact OE2-NH2 2.83Å; L133-R136 PolarHBondContact O-N 3.42Å; R136-I139 PolarHBondContact O-N 2.9Å; R136-L140 VanDerWaalsContact O-CB 3.3Å; R136-L140 WeakPolarHBondContact O-CB 3.34Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 2.75Å
137C86.1Confident85Confident59 Ų5999.1 Ų99.140%0.39950%0.495SS..Hα-helixtrans-67.8-31.7174.7-71.50000113.4L133 R134 Q135 K141L133-C137 VanDerWaalsContact O-CB 3.32Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.21Å; R134-C137 PolarHBondContact O-N 3.48Å; Q135-C137 VanDerWaalsContact C-N 3.33Å; Q135-C137 PolarHBondContact O-N 3.08Å; C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 VanDerWaalsContact O-CG 3.31Å; C137-K141 WeakPolarHBondContact O-CG 3.38Å; C137-K141 PolarHBondContact O-N 2.83Å
138A90.9Very high84.4Confident56 Ų56103 Ų10346%0.46350%0.502SS..Hα-helixtrans-68.2-48.6173.100000111.1R134 Q135 K141 E142R134-A138 WeakPolarHBondContact O-CB 3.45Å; R134-A138 PolarHBondContact O-N 3.48Å; Q135-A138 WeakPolarHBondContact O-CB 3.35Å; Q135-A138 PolarHBondContact O-N 3.36Å; Q135-A138 VanDerWaalsContact O-N 3.15Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 2.91Å; A138-E142 PolarHBondContact O-N 2.81Å
139I90Very high83.7Confident77 Ų77101.7 Ų101.740%0.39550%0.5SS..Hα-helixtrans-57.2-52.2174.8-66.5163.9000110.1Q135 R136 K141 E142 E143Q135-I139 HydrophobicContact CG-CD1 4.13Å; Q135-I139 WeakPolarHBondContact O-CG1 3.19Å; Q135-I139 PolarHBondContact O-N 3.5Å; R136-I139 PolarHBondContact O-N 2.9Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.45Å; I139-E142 CarbonylContact O-C 3.58Å; I139-E142 PolarHBondContact O-N 2.94Å; I139-E143 HydrophobicContact CG2-CG 4.18Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.31Å; I139-E143 WeakPolarHBondContact O-CB 3.43Å; I139-E143 WeakPolarHBondContact O-CG 3.36Å; I139-E143 PolarHBondContact O-N 3.46Å
140L85.9Confident82.6Confident92 Ų92103 Ų10348%0.48251%0.507SS..Hα-helixtrans-61.3-32.2178-74.9165.4000113.3R136 N144R136-L140 VanDerWaalsContact O-CB 3.3Å; R136-L140 WeakPolarHBondContact O-CB 3.34Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 VanDerWaalsContact O-CG 3.27Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 2.75Å; L140-N144 VanDerWaalsContact O-CB 3.24Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 3.3Å; L140-N144 PolarHBondContact O-ND2 3.14Å
141K88.9Confident81.2Confident148 Ų148101.2 Ų101.264%0.64350%0.502SS*.Hα-helixtrans-68.2-40.9172.2-86.1-174.4175.4-165.70111.4C137 A138 I139 Q145C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 VanDerWaalsContact O-CG 3.31Å; C137-K141 WeakPolarHBondContact O-CG 3.38Å; C137-K141 PolarHBondContact O-N 2.83Å; A138-K141 WeakPolarHBondContact O-CB 3.34Å; A138-K141 PolarHBondContact O-N 2.91Å; I139-K141 VanDerWaalsContact C-N 3.29Å; I139-K141 PolarHBondContact O-N 3.45Å; K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 PolarHBondContact O-N 3.47Å
142E88.1Confident79.6Confident134 Ų134106.8 Ų106.863%0.62652%0.515SS*.Hα-helixtrans-71.6-43.7179.5-168.4154.6-124.300111.6A138 I139 Q145 M146A138-E142 PolarHBondContact O-N 2.81Å; I139-E142 CarbonylContact O-C 3.58Å; I139-E142 PolarHBondContact O-N 2.94Å; E142-Q145 CarbonylContact O-C 3.53Å; E142-Q145 WeakPolarHBondContact O-CA 3.27Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.36Å; E142-M146 WeakPolarHBondContact O-CG 3.45Å; E142-M146 PolarHBondContact O-N 2.87Å
143E83.5Confident78.1Confident94 Ų94106.5 Ų106.544%0.43952%0.52SS..Hα-helixtrans-58-46.3169-71.7174.1164.600111.6I139 Q145 M146 L147I139-E143 HydrophobicContact CG2-CG 4.18Å; I139-E143 WeakPolarHBondContact CG2-OE1 3.31Å; I139-E143 WeakPolarHBondContact O-CB 3.43Å; I139-E143 WeakPolarHBondContact O-CG 3.36Å; I139-E143 PolarHBondContact O-N 3.46Å; E143-Q145 VanDerWaalsContact C-N 3.25Å; E143-Q145 PolarHBondContact O-N 2.96Å; E143-M146 CarbonylContact O-C 3.58Å; E143-M146 PolarHBondContact O-N 3.25Å; E143-M146 VanDerWaalsContact O-N 3.14Å; E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 VanDerWaalsContact O-CG 3.29Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 2.83Å
144N78.7Confident76.5Confident71 Ų71107.3 Ų107.338%0.3852%0.521SS..Hα-helixtrans-62.4-33.1173.5-92.1-96.4000112.3L140 R148L140-N144 VanDerWaalsContact O-CB 3.24Å; L140-N144 WeakPolarHBondContact O-CB 3.24Å; L140-N144 PolarHBondContact O-N 3.3Å; L140-N144 PolarHBondContact O-ND2 3.14Å; N144-R148 WeakPolarHBondContact O-CB 3.5Å; N144-R148 WeakPolarHBondContact O-CD 3.32Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.36Å
145Q82.1Confident75.2Confident102 Ų102103.3 Ų103.348%0.47751%0.513SS..Hα-helixtrans-70.9-36.5174.5-157.3-163.9109.600111.6K141 E142 E143 R148 K149K141-Q145 WeakPolarHBondContact O-CB 3.46Å; K141-Q145 PolarHBondContact O-N 3.47Å; E142-Q145 CarbonylContact O-C 3.53Å; E142-Q145 WeakPolarHBondContact O-CA 3.27Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.36Å; E143-Q145 VanDerWaalsContact C-N 3.25Å; E143-Q145 PolarHBondContact O-N 2.96Å; Q145-R148 PolarHBondContact O-N 2.95Å; Q145-K149 VanDerWaalsContact O-CG 3.3Å; Q145-K149 WeakPolarHBondContact O-CG 3.49Å; Q145-K149 PolarHBondContact O-N 2.85Å; Q145-K149 VanDerWaalsContact OE1-CE 3.24Å
146M71.6Confident74.2Confident111 Ų111102.3 Ų102.355%0.54751%0.509SS..Hα-helixtrans-69.5-44.3174.1-70.5-64.3-77.200111.5E142 E143 R148 K149 S150E142-M146 WeakPolarHBondContact O-CG 3.45Å; E142-M146 PolarHBondContact O-N 2.87Å; E143-M146 CarbonylContact O-C 3.58Å; E143-M146 PolarHBondContact O-N 3.25Å; E143-M146 VanDerWaalsContact O-N 3.14Å; M146-R148 VanDerWaalsContact C-N 3.27Å; M146-R148 PolarHBondContact O-N 3.45Å; M146-K149 CarbonylContact O-C 3.54Å; M146-K149 WeakPolarHBondContact O-CA 3.48Å; M146-K149 WeakPolarHBondContact O-CB 3.27Å; M146-K149 PolarHBondContact O-N 3.39Å; M146-K149 HydrophobicContact SD-CD 4.14Å; M146-S150 PolarHBondContact O-N 3.22Å; M146-S150 PolarHBondContact O-OG 3.41Å
147L68.4Low73.4Confident104 Ų104101.1 Ų101.155%0.54551%0.509SS..Hα-helixtrans-60.5-34173-71.1169.2000112.2E143 K149 S150 S151E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 VanDerWaalsContact O-CG 3.29Å; E143-L147 WeakPolarHBondContact O-CG 3.46Å; E143-L147 PolarHBondContact O-N 2.83Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.1Å; L147-S150 WeakPolarHBondContact CA-OG 3.39Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.3Å; L147-S151 PolarHBondContact O-N 2.87Å; L147-S151 PolarHBondContact O-OG 3.42Å
148R68.1Low73Confident192 Ų192102.8 Ų102.873%0.72551%0.509SS*.Hα-helixtrans-75.9-8.9171.9-73.3169.7-175.9167.92.3114.5N144 Q145 M146N144-R148 WeakPolarHBondContact O-CB 3.5Å; N144-R148 WeakPolarHBondContact O-CD 3.32Å; N144-R148 WeakPolarHBondContact O-CG 3.45Å; N144-R148 PolarHBondContact O-N 3.36Å; Q145-R148 PolarHBondContact O-N 2.95Å; M146-R148 VanDerWaalsContact C-N 3.27Å; M146-R148 PolarHBondContact O-N 3.45Å
149K67.4Low72.6Confident123 Ų123103.4 Ų103.454%0.53551%0.507SS..Hα-helixtrans-99.5-32.3170.6-66.5163.6-170.3167.40112.1Q145 M146 L147Q145-K149 VanDerWaalsContact O-CG 3.3Å; Q145-K149 WeakPolarHBondContact O-CG 3.49Å; Q145-K149 PolarHBondContact O-N 2.85Å; Q145-K149 VanDerWaalsContact OE1-CE 3.24Å; M146-K149 CarbonylContact O-C 3.54Å; M146-K149 WeakPolarHBondContact O-CA 3.48Å; M146-K149 WeakPolarHBondContact O-CB 3.27Å; M146-K149 PolarHBondContact O-N 3.39Å; M146-K149 HydrophobicContact SD-CD 4.14Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.1Å
150S59.7Low72.2Confident79 Ų79105.5 Ų105.555%0.55251%0.51SS*.Hα-helixtrans-90.7-24.5-179.3640000113.7M146 L147 P153M146-S150 PolarHBondContact O-N 3.22Å; M146-S150 PolarHBondContact O-OG 3.41Å; L147-S150 WeakPolarHBondContact CA-OG 3.39Å; S150-P153 WeakPolarHBondContact O-CD 3.3Å; S150-P153 WeakPolarHBondContact O-CG 3.48Å
151S57.6Low72.1Confident54 Ų54108.2 Ų108.238%0.37851%0.514SS..SBendtrans-80.5144.5160.666.80000110.6L147 P153L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.3Å; L147-S151 PolarHBondContact O-N 2.87Å; L147-S151 PolarHBondContact O-OG 3.42Å; S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.48Å
152F53.4Low72.1Confident154 Ų154106.1 Ų106.168%0.67551%0.509SS*.SBendtrans71.81.5-176.6-59.6-88.5000121.4E154 T155 E156F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.32Å; F152-T155 HydrophobicContact CD1-CG2 3.92Å; F152-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F152-T155 HydrophobicContact CE1-CG2 4.48Å; F152-T155 PolarHBondContact O-N 2.92Å; F152-T155 VanDerWaalsContact O-N 3.14Å; F152-T155 PolarHBondContact O-OG1 3.27Å; F152-E156 PolarHBondContact O-N 3.45Å
153P57.4Low72.2Confident66 Ų66107 Ų10743%0.42951%0.511SS..Hα-helixtrans-62.1-38.717227.8-33.8000110.9S150 S151 T155 E156 E157S150-P153 WeakPolarHBondContact O-CD 3.3Å; S150-P153 WeakPolarHBondContact O-CG 3.48Å; S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.48Å; P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 3.37Å; P153-E156 PolarHBondContact O-N 3.5Å; P153-E157 WeakPolarHBondContact O-CB 3.19Å; P153-E157 PolarHBondContact O-N 2.87Å
154E56.1Low72.5Confident120 Ų120108.8 Ų108.856%0.56151%0.514SS*.Hα-helixtrans-50.6-46.2172.8-81.8-145.511400112.9F152 K158F152-E154 VanDerWaalsContact C-N 3.27Å; F152-E154 PolarHBondContact O-N 3.32Å; E154-K158 HydrophobicContact CB-CD 4.39Å; E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 VanDerWaalsContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CD 3.38Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 VanDerWaalsContact OE1-CE 3.31Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 3.09Å; E154-K158 IonicContact OE2-NZ 2.76Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å
155T63.7Low73.2Confident67 Ų67110.4 Ų110.441%0.41152%0.517SS..Hα-helixtrans-71.4-39.2-174.3560000111.6F152 P153 K158 V159F152-T155 HydrophobicContact CD1-CG2 3.92Å; F152-T155 WeakPolarHBondContact CD1-OG1 3.44Å; F152-T155 HydrophobicContact CE1-CG2 4.48Å; F152-T155 PolarHBondContact O-N 2.92Å; F152-T155 VanDerWaalsContact O-N 3.14Å; F152-T155 PolarHBondContact O-OG1 3.27Å; P153-T155 VanDerWaalsContact C-N 3.3Å; P153-T155 PolarHBondContact O-N 3.37Å; T155-K158 PolarHBondContact O-N 2.82Å; T155-V159 WeakPolarHBondContact O-CG2 3.44Å; T155-V159 PolarHBondContact O-N 3.43Å
156E70.6Confident73.5Confident107 Ų107110.5 Ų110.550%0.552%0.521SS..Hα-helixtrans-70-38.9177.3-152.4-162.5-176.700110.8F152 P153 V159 R160F152-E156 PolarHBondContact O-N 3.45Å; P153-E156 PolarHBondContact O-N 3.5Å; E156-V159 PolarHBondContact O-N 3.48Å; E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.89Å; E156-R160 IonicContact OE1-CZ 2.67Å; E156-R160 IonicContact OE1-NH1 3.33Å; E156-R160 IonicContact OE1-NH2 3.66Å; E156-R160 PolarHBondContact OE1-NH2 2.83Å; E156-R160 IonicContact OE2-CZ 2.74Å; E156-R160 IonicContact OE2-NH1 3.61Å; E156-R160 PolarHBondContact OE2-NH1 3.47Å; E156-R160 IonicContact OE2-NH2 3.4Å; E156-R160 PolarHBondContact OE2-NH2 2.91Å
157E74.3Confident74.5Confident114 Ų114108 Ų10853%0.53352%0.518SS..Hα-helixtrans-67.5-40.9172.3179.9154.8-144.700112.8P153 V159 R160 R161P153-E157 WeakPolarHBondContact O-CB 3.19Å; P153-E157 PolarHBondContact O-N 2.87Å; E157-V159 VanDerWaalsContact C-N 3.25Å; E157-V159 PolarHBondContact O-N 2.82Å; E157-R160 CarbonylContact O-C 3.49Å; E157-R160 PolarHBondContact O-N 3.26Å; E157-R160 VanDerWaalsContact O-N 3.1Å; E157-R161 VanDerWaalsContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.42Å
158K77.1Confident75.6Confident93 Ų93108.1 Ų108.140%0.40452%0.516SS..Hα-helixtrans-58.7-39.2172.4-74.1161.5-168-1800110.2E154 T155 R161 L162E154-K158 HydrophobicContact CB-CD 4.39Å; E154-K158 WeakPolarHBondContact O-CB 3.3Å; E154-K158 VanDerWaalsContact O-CD 3.26Å; E154-K158 WeakPolarHBondContact O-CD 3.38Å; E154-K158 WeakPolarHBondContact O-CG 3.35Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 VanDerWaalsContact OE1-CE 3.31Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 2.7Å; E154-K158 PolarHBondContact OE1-NZ 3.09Å; E154-K158 IonicContact OE2-NZ 2.76Å; E154-K158 PolarHBondContact OE2-NZ 3.31Å; T155-K158 PolarHBondContact O-N 2.82Å; K158-R161 PolarHBondContact O-N 3.3Å; K158-L162 WeakPolarHBondContact O-CB 3.44Å; K158-L162 VanDerWaalsContact O-CG 3.26Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 2.8Å
159V82.5Confident76.6Confident69 Ų69104 Ų10442%0.41851%0.508SS..Hα-helixtrans-66.5-43.5171168.70000112.5T155 E156 E157 R161 L162 K163T155-V159 WeakPolarHBondContact O-CG2 3.44Å; T155-V159 PolarHBondContact O-N 3.43Å; E156-V159 PolarHBondContact O-N 3.48Å; E157-V159 VanDerWaalsContact C-N 3.25Å; E157-V159 PolarHBondContact O-N 2.82Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.83Å; V159-L162 PolarHBondContact O-N 2.99Å; V159-K163 HydrophobicContact CG1-CD 4.16Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 WeakPolarHBondContact O-CG 3.24Å; V159-K163 PolarHBondContact O-N 3.45Å
160R82.2Confident77.8Confident122 Ų122100.8 Ų100.846%0.4650%0.504SS..Hα-helixtrans-61.9-37.3174.2-71.6177.4-178.5103.54112.3E156 E157 R164E156-R160 WeakPolarHBondContact O-CG 3.5Å; E156-R160 PolarHBondContact O-N 2.89Å; E156-R160 IonicContact OE1-CZ 2.67Å; E156-R160 IonicContact OE1-NH1 3.33Å; E156-R160 IonicContact OE1-NH2 3.66Å; E156-R160 PolarHBondContact OE1-NH2 2.83Å; E156-R160 IonicContact OE2-CZ 2.74Å; E156-R160 IonicContact OE2-NH1 3.61Å; E156-R160 PolarHBondContact OE2-NH1 3.47Å; E156-R160 IonicContact OE2-NH2 3.4Å; E156-R160 PolarHBondContact OE2-NH2 2.91Å; E157-R160 CarbonylContact O-C 3.49Å; E157-R160 PolarHBondContact O-N 3.26Å; E157-R160 VanDerWaalsContact O-N 3.1Å; R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å; R160-R164 PolarHBondContact O-NE 2.88Å
161R83.9Confident79.4Confident149 Ų149100.8 Ų100.856%0.56250%0.5SS*.Hα-helixtrans-70.2-40.9176.9-173.5-179.8-179.5-152.55.2111.3E157 K158 V159 R164 K165E157-R161 VanDerWaalsContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CB 3.27Å; E157-R161 PolarHBondContact O-N 3.42Å; K158-R161 PolarHBondContact O-N 3.3Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.83Å; R161-R164 PolarHBondContact O-N 2.83Å; R161-K165 WeakPolarHBondContact O-CG 3.38Å; R161-K165 PolarHBondContact O-N 3.38Å
162L87.6Confident81Confident103 Ų103102.5 Ų102.554%0.53951%0.505SS..Hα-helixtrans-65.4-42.3172.1-75166.6000112.1K158 V159 R164 K165 N166K158-L162 WeakPolarHBondContact O-CB 3.44Å; K158-L162 VanDerWaalsContact O-CG 3.26Å; K158-L162 WeakPolarHBondContact O-CG 3.36Å; K158-L162 PolarHBondContact O-N 2.8Å; V159-L162 PolarHBondContact O-N 2.99Å; L162-R164 PolarHBondContact O-N 2.85Å; L162-K165 PolarHBondContact O-N 2.93Å; L162-N166 WeakPolarHBondContact O-CB 3.46Å; L162-N166 PolarHBondContact O-N 3.15Å
163K90Very high82.8Confident152 Ų15297.4 Ų97.466%0.66149%0.491SS*.Hα-helixtrans-60.7-41.9174.5-75.4176.3178.31800112.1V159 A167V159-K163 HydrophobicContact CG1-CD 4.16Å; V159-K163 WeakPolarHBondContact O-CB 3.45Å; V159-K163 WeakPolarHBondContact O-CG 3.24Å; V159-K163 PolarHBondContact O-N 3.45Å; K163-A167 PolarHBondContact O-N 3.46Å; K163-A167 VanDerWaalsContact O-N 3.15Å
164R90.9Very high84.5Confident132 Ų132101.1 Ų101.150%0.49850%0.5SS..Hα-helixtrans-59.3-54.4171.9-78.7-179.5-81.8170.6-8111.8R160 R161 L162 N166 A167 E168R160-R164 WeakPolarHBondContact O-CG 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å; R160-R164 PolarHBondContact O-NE 2.88Å; R161-R164 PolarHBondContact O-N 2.83Å; L162-R164 PolarHBondContact O-N 2.85Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.26Å; R164-E168 WeakPolarHBondContact O-CG 3.4Å; R164-E168 PolarHBondContact O-N 3.46Å
165K92.4Very high86.2Confident105 Ų105103.5 Ų103.546%0.45750%0.504SS..Hα-helixtrans-58.6-38178.3-74.4-169.1171.1-163.90113.4R161 L162 E168 L169R161-K165 WeakPolarHBondContact O-CG 3.38Å; R161-K165 PolarHBondContact O-N 3.38Å; L162-K165 PolarHBondContact O-N 2.93Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-L169 WeakPolarHBondContact O-CB 3.24Å; K165-L169 VanDerWaalsContact O-CG 3.27Å; K165-L169 WeakPolarHBondContact O-CG 3.29Å; K165-L169 PolarHBondContact O-N 3.01Å
166N88.2Confident87.6Confident105 Ų105105.2 Ų105.256%0.56151%0.51SS*.Hα-helixtrans-67.8-34.7176.3-74.21.9000112.4L162 R164 A170L162-N166 WeakPolarHBondContact O-CB 3.46Å; L162-N166 PolarHBondContact O-N 3.15Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; N166-A170 PolarHBondContact O-N 2.95Å
167A92.3Very high88.6Confident58 Ų58104.6 Ų104.648%0.47951%0.507SS..Hα-helixtrans-68.9-41.6172.700000111.9K163 R164 A170 V171K163-A167 PolarHBondContact O-N 3.46Å; K163-A167 VanDerWaalsContact O-N 3.15Å; R164-A167 WeakPolarHBondContact O-CB 3.43Å; R164-A167 PolarHBondContact O-N 3.26Å; A167-A170 PolarHBondContact O-N 3.06Å; A167-V171 WeakPolarHBondContact O-CG2 3.3Å; A167-V171 PolarHBondContact O-N 3.19Å
168E91.5Very high89.5Confident106 Ų106103.8 Ų103.850%0.49550%0.504SS..Hα-helixtrans-59.3-46.7173.3-68.9155.7-149.400111.4R164 K165 A170 V171 I172R164-E168 WeakPolarHBondContact O-CG 3.4Å; R164-E168 PolarHBondContact O-N 3.46Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.81Å; E168-V171 PolarHBondContact O-N 2.97Å; E168-V171 VanDerWaalsContact O-N 3.17Å; E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 2.85Å
169L90.2Very high90.1Very high107 Ų107106.6 Ų106.656%0.5651%0.512SS*.Hα-helixtrans-60-40.1175.3-73.9170.4000112.3K165 V171 I172 A173K165-L169 WeakPolarHBondContact O-CB 3.24Å; K165-L169 VanDerWaalsContact O-CG 3.27Å; K165-L169 WeakPolarHBondContact O-CG 3.29Å; K165-L169 PolarHBondContact O-N 3.01Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 PolarHBondContact O-N 3.17Å; L169-I172 PolarHBondContact O-N 2.93Å; L169-A173 WeakPolarHBondContact O-CB 3.24Å; L169-A173 PolarHBondContact O-N 3.33Å
170A91.6Very high90.4Very high55 Ų55105.3 Ų105.346%0.45551%0.509SS..Hα-helixtrans-65.2-35.6175.600000112.8N166 A167 E168 K174N166-A170 PolarHBondContact O-N 2.95Å; A167-A170 PolarHBondContact O-N 3.06Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.81Å; A170-K174 PolarHBondContact O-N 2.94Å; A170-K174 VanDerWaalsContact O-N 3.11Å
171V93.9Very high90.9Very high78 Ų78106.9 Ų106.947%0.47352%0.515SS..Hα-helixtrans-70-39.8173.7172.60000111.3A167 E168 L169 R175A167-V171 WeakPolarHBondContact O-CG2 3.3Å; A167-V171 PolarHBondContact O-N 3.19Å; E168-V171 PolarHBondContact O-N 2.97Å; E168-V171 VanDerWaalsContact O-N 3.17Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 PolarHBondContact O-N 3.17Å; V171-R175 WeakPolarHBondContact O-CG 3.28Å; V171-R175 PolarHBondContact O-N 3.16Å
172I91.3Very high91.2Very high91 Ų91105.3 Ų105.347%0.46751%0.512SS..Hα-helixtrans-64.4-45.4175-67.9165000110.4E168 L169 K174 R175 L176E168-I172 WeakPolarHBondContact O-CG1 3.43Å; E168-I172 PolarHBondContact O-N 2.85Å; L169-I172 PolarHBondContact O-N 2.93Å; I172-K174 PolarHBondContact O-N 3.14Å; I172-R175 PolarHBondContact O-N 2.83Å; I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.45Å; I172-L176 PolarHBondContact O-N 3.26Å
173A90.5Very high91.1Very high47 Ų47105.5 Ų105.539%0.38851%0.513SS..Hα-helixtrans-56.8-50.2176.500000111.7L169 R175 L176 E177L169-A173 WeakPolarHBondContact O-CB 3.24Å; L169-A173 PolarHBondContact O-N 3.33Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.92Å; A173-L176 PolarHBondContact O-N 2.76Å; A173-L176 VanDerWaalsContact O-N 3.08Å; A173-E177 PolarHBondContact O-N 2.75Å
174K93.4Very high90.8Very high144 Ų144104.5 Ų104.563%0.62651%0.51SS*.Hα-helixtrans-59.4-39.8175.3-77.2-173.6175.4-172.70113.1A170 I172 L176 E177 E178A170-K174 PolarHBondContact O-N 2.94Å; A170-K174 VanDerWaalsContact O-N 3.11Å; I172-K174 PolarHBondContact O-N 3.14Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.34Å; K174-E177 PolarHBondContact O-N 3.49Å; K174-E178 PolarHBondContact O-N 2.99Å
175R93.1Very high90.5Very high170 Ų170102.5 Ų102.564%0.64251%0.507SS*.Hα-helixtrans-66.7-33.3174.9-75.2178.3175.6-167.60.8112.8V171 I172 A173 R179V171-R175 WeakPolarHBondContact O-CG 3.28Å; V171-R175 PolarHBondContact O-N 3.16Å; I172-R175 PolarHBondContact O-N 2.83Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.92Å; R175-R179 WeakPolarHBondContact O-CB 3.46Å; R175-R179 VanDerWaalsContact O-CG 3.3Å; R175-R179 WeakPolarHBondContact O-CG 3.19Å; R175-R179 PolarHBondContact O-N 2.89Å
176L91.3Very high89.7Confident102 Ų102100.8 Ų100.853%0.53451%0.505SS..Hα-helixtrans-72.5-42174.4-70.9172.9000111.4I172 A173 K174 R179 A180I172-L176 HydrophobicContact CG2-CD1 3.94Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CG 3.45Å; I172-L176 PolarHBondContact O-N 3.26Å; A173-L176 PolarHBondContact O-N 2.76Å; A173-L176 VanDerWaalsContact O-N 3.08Å; K174-L176 VanDerWaalsContact C-N 3.34Å; K174-L176 PolarHBondContact O-N 3.34Å; L176-R179 PolarHBondContact O-N 3.46Å; L176-A180 WeakPolarHBondContact O-CB 3.03Å; L176-A180 PolarHBondContact O-N 2.82Å
177E92.6Very high89.2Confident94 Ų94100.6 Ų100.644%0.43950%0.504SS..Hα-helixtrans-58.2-47.5170.4-76.9-176.2-125.200111.9A173 K174 R179 A180 R181A173-E177 PolarHBondContact O-N 2.75Å; K174-E177 PolarHBondContact O-N 3.49Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.63Å; E177-A180 PolarHBondContact O-N 3.14Å; E177-R181 WeakPolarHBondContact O-CB 3.37Å; E177-R181 VanDerWaalsContact O-CG 3.28Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 3.32Å; E177-R181 IonicContact OE2-CZ 2.76Å; E177-R181 IonicContact OE2-NE 2.72Å; E177-R181 IonicContact OE2-NH2 3.16Å; E177-R181 PolarHBondContact OE2-NH2 2.87Å
178E93.4Very high88.4Confident98 Ų98103.9 Ų103.946%0.45851%0.513SS..Hα-helixtrans-60.5-43176.2-83.6-170.1-133.300112.3K174 A180 K182K174-E178 PolarHBondContact O-N 2.99Å; E178-A180 VanDerWaalsContact C-N 3.34Å; E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.47Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å; E178-K182 IonicContact OE2-NZ 2.73Å; E178-K182 PolarHBondContact OE2-NZ 3.28Å
179R90.1Very high87.4Confident151 Ų151106.6 Ų106.657%0.5752%0.518SS*.Hα-helixtrans-63.4-40.1175.1-78.7176.6173.3-170.3-1.9111R175 L176 E177 L183R175-R179 WeakPolarHBondContact O-CB 3.46Å; R175-R179 VanDerWaalsContact O-CG 3.3Å; R175-R179 WeakPolarHBondContact O-CG 3.19Å; R175-R179 PolarHBondContact O-N 2.89Å; L176-R179 PolarHBondContact O-N 3.46Å; E177-R179 VanDerWaalsContact C-N 3.35Å; E177-R179 PolarHBondContact O-N 2.63Å; R179-L183 WeakPolarHBondContact O-CB 3.26Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.05Å; R179-L183 PolarHBondContact O-N 3.29Å
180A88.9Confident86.1Confident43 Ų43106.7 Ų106.736%0.35552%0.523SS..Hα-helixtrans-65.6-47176.700000112L176 E177 E178 K182 L183 Q184L176-A180 WeakPolarHBondContact O-CB 3.03Å; L176-A180 PolarHBondContact O-N 2.82Å; E177-A180 PolarHBondContact O-N 3.14Å; E178-A180 VanDerWaalsContact C-N 3.34Å; A180-K182 PolarHBondContact O-N 3.46Å; A180-L183 PolarHBondContact O-N 3.32Å; A180-Q184 WeakPolarHBondContact O-CB 3.35Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.45Å
181R91.1Very high84.6Confident155 Ų155110.1 Ų110.159%0.58554%0.538SS*.Hα-helixtrans-59.8-44.7175.2-67.5172.8-158-136.18.5111.4E177 Q184 E185E177-R181 WeakPolarHBondContact O-CB 3.37Å; E177-R181 VanDerWaalsContact O-CG 3.28Å; E177-R181 WeakPolarHBondContact O-CG 3.4Å; E177-R181 PolarHBondContact O-N 3.32Å; E177-R181 IonicContact OE2-CZ 2.76Å; E177-R181 IonicContact OE2-NE 2.72Å; E177-R181 IonicContact OE2-NH2 3.16Å; E177-R181 PolarHBondContact OE2-NH2 2.87Å; R181-Q184 PolarHBondContact O-N 2.83Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.75Å
182K90.4Very high82.6Confident116 Ų116110.5 Ų110.550%0.50455%0.545SS..Hα-helixtrans-64.3-38.7175.9-73.3162-176.9160.40112.1E178 A180 E185 T186E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.44Å; E178-K182 WeakPolarHBondContact O-CD 3.47Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.26Å; E178-K182 PolarHBondContact O-N 3.34Å; E178-K182 IonicContact OE2-NZ 2.73Å; E178-K182 PolarHBondContact OE2-NZ 3.28Å; A180-K182 PolarHBondContact O-N 3.46Å; K182-E185 PolarHBondContact O-N 3.44Å; K182-T186 WeakPolarHBondContact O-CG2 3.5Å; K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.05Å
183L86.8Confident80.5Confident107 Ų107109.1 Ų109.156%0.5655%0.546SS*.Hα-helixtrans-67.7-41.4174.6-77.9167.9000112.5R179 A180 T186 N187R179-L183 WeakPolarHBondContact O-CB 3.26Å; R179-L183 VanDerWaalsContact O-CG 3.26Å; R179-L183 WeakPolarHBondContact O-CG 3.05Å; R179-L183 PolarHBondContact O-N 3.29Å; A180-L183 PolarHBondContact O-N 3.32Å; L183-T186 WeakPolarHBondContact CA-OG1 3.27Å; L183-T186 PolarHBondContact O-N 3.1Å; L183-T186 PolarHBondContact O-OG1 3.35Å; L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.47Å
184Q84Confident78.6Confident130 Ų130112.5 Ų112.561%0.60756%0.564SS**Hα-helixtrans-61.3-44.5172.9-74.1168.5-26.300111A180 R181 N187 L188A180-Q184 WeakPolarHBondContact O-CB 3.35Å; A180-Q184 VanDerWaalsContact O-CG 3.3Å; A180-Q184 WeakPolarHBondContact O-CG 3.38Å; A180-Q184 PolarHBondContact O-N 3.45Å; R181-Q184 PolarHBondContact O-N 2.83Å; Q184-N187 PolarHBondContact O-N 2.78Å; Q184-L188 WeakPolarHBondContact O-CB 3.35Å; Q184-L188 PolarHBondContact O-N 3.29Å
185E82.7Confident76.5Confident91 Ų91114.1 Ų114.143%0.42558%0.579SS.*Hα-helixtrans-61.5-45.1175-170-170.2171.200112R181 K182 L188 R189R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.75Å; K182-E185 PolarHBondContact O-N 3.44Å; E185-L188 PolarHBondContact O-N 2.87Å; E185-R189 WeakPolarHBondContact O-CB 3.37Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.29Å; E185-R189 PolarHBondContact O-N 2.92Å; E185-R189 IonicContact OE1-CZ 3.64Å; E185-R189 IonicContact OE1-NE 2.72Å; E185-R189 PolarHBondContact OE1-NE 3.43Å; E185-R189 IonicContact OE1-NH2 3.74Å; E185-R189 PolarHBondContact OE1-NH2 2.91Å
186T76.8Confident74.4Confident68 Ų68111.8 Ų111.842%0.41759%0.586SS.*Hα-helixtrans-67.1-38.5176.351.10000112.6K182 L183 R189 V190K182-T186 WeakPolarHBondContact O-CG2 3.5Å; K182-T186 PolarHBondContact O-N 3.4Å; K182-T186 PolarHBondContact O-OG1 3.05Å; L183-T186 WeakPolarHBondContact CA-OG1 3.27Å; L183-T186 PolarHBondContact O-N 3.1Å; L183-T186 PolarHBondContact O-OG1 3.35Å; T186-R189 PolarHBondContact O-N 2.96Å; T186-V190 WeakPolarHBondContact O-CB 3.38Å; T186-V190 VanDerWaalsContact O-CG2 3.29Å; T186-V190 WeakPolarHBondContact O-CG2 3.3Å; T186-V190 PolarHBondContact O-N 3.31Å
187N76.4Confident72.7Confident102 Ų102118.2 Ų118.255%0.54560%0.603SS.*Hα-helixtrans-64.9-42.6175.8-76.5-12.5000110.8L183 Q184 R189 V190 V191L183-N187 WeakPolarHBondContact O-CB 3.42Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.47Å; Q184-N187 PolarHBondContact O-N 2.78Å; N187-R189 PolarHBondContact O-N 2.89Å; N187-V190 PolarHBondContact O-N 2.88Å; N187-V191 WeakPolarHBondContact O-CB 3.4Å; N187-V191 VanDerWaalsContact O-CG2 3.27Å; N187-V191 WeakPolarHBondContact O-CG2 3.26Å; N187-V191 PolarHBondContact O-N 2.9Å
188L77.3Confident70.7Confident126 Ų126119.3 Ų119.366%0.6662%0.619SS**Hα-helixtrans-60.8-46.1175.6-166.468.9000110.9Q184 E185 V190 V191 S192Q184-L188 WeakPolarHBondContact O-CB 3.35Å; Q184-L188 PolarHBondContact O-N 3.29Å; E185-L188 PolarHBondContact O-N 2.87Å; L188-V190 VanDerWaalsContact C-N 3.34Å; L188-V190 PolarHBondContact O-N 3.01Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 2.99Å; L188-S192 PolarHBondContact O-OG 2.89Å; L188-S192 VanDerWaalsContact O-OG 3.1Å
189R69.3Low68.7Low163 Ų163117 Ų11762%0.61562%0.621SS**Hα-helixtrans-62.8-33.5176-72.2173.5-178.5-146.81.2113.8E185 T186 N187 S192 A193E185-R189 WeakPolarHBondContact O-CB 3.37Å; E185-R189 VanDerWaalsContact O-CG 3.27Å; E185-R189 WeakPolarHBondContact O-CG 3.29Å; E185-R189 PolarHBondContact O-N 2.92Å; E185-R189 IonicContact OE1-CZ 3.64Å; E185-R189 IonicContact OE1-NE 2.72Å; E185-R189 PolarHBondContact OE1-NE 3.43Å; E185-R189 IonicContact OE1-NH2 3.74Å; E185-R189 PolarHBondContact OE1-NH2 2.91Å; T186-R189 PolarHBondContact O-N 2.96Å; N187-R189 PolarHBondContact O-N 2.89Å; R189-S192 PolarHBondContact O-OG 2.74Å; R189-A193 WeakPolarHBondContact O-CB 3.37Å; R189-A193 PolarHBondContact O-N 3.37Å
190V64.2Low67.3Low110 Ų110115.6 Ų115.667%0.66763%0.63SS**Hα-helixtrans-76-39.4176.3167.90000111.2T186 N187 L188 S192 A193T186-V190 WeakPolarHBondContact O-CB 3.38Å; T186-V190 VanDerWaalsContact O-CG2 3.29Å; T186-V190 WeakPolarHBondContact O-CG2 3.3Å; T186-V190 PolarHBondContact O-N 3.31Å; N187-V190 PolarHBondContact O-N 2.88Å; L188-V190 VanDerWaalsContact C-N 3.34Å; L188-V190 PolarHBondContact O-N 3.01Å; V190-S192 VanDerWaalsContact C-N 3.33Å; V190-A193 PolarHBondContact O-N 2.89Å
191V58.8Low65.9Low127 Ų127117.5 Ų117.577%0.7764%0.64SS**Hα-helixtrans-71.3-28.1176.5171.80000111.8N187 L188N187-V191 WeakPolarHBondContact O-CB 3.4Å; N187-V191 VanDerWaalsContact O-CG2 3.27Å; N187-V191 WeakPolarHBondContact O-CG2 3.26Å; N187-V191 PolarHBondContact O-N 2.9Å; L188-V191 PolarHBondContact O-N 3.34Å
192S53.1Low64.7Low86 Ų86114.3 Ų114.360%0.60163%0.634SS**THydrogen-bonded Turntrans-91.67.5177.475.80000114.9L188 R189 V190 P194L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.47Å; L188-S192 PolarHBondContact O-N 2.99Å; L188-S192 PolarHBondContact O-OG 2.89Å; L188-S192 VanDerWaalsContact O-OG 3.1Å; R189-S192 PolarHBondContact O-OG 2.74Å; V190-S192 VanDerWaalsContact C-N 3.33Å; S192-P194 WeakPolarHBondContact O-CD 3.22Å
193A45.5Very low63.6Low61 Ų61113.6 Ų113.650%0.50463%0.633SS.*PPolyproline II helixtrans-91.6119.3-177.900000111.9R189 V190R189-A193 WeakPolarHBondContact O-CB 3.37Å; R189-A193 PolarHBondContact O-N 3.37Å; V190-A193 PolarHBondContact O-N 2.89Å
194P52.2Low63Low118 Ų118114.2 Ų114.277%0.76664%0.636SS**PPolyproline II helixtrans-66137.6176.1-21.334000112.6S192 P196S192-P194 WeakPolarHBondContact O-CD 3.22Å; P194-P196 WeakPolarHBondContact O-CD 3.37Å
195L48.6Very low62.4Low178 Ų178111.7 Ų111.793%0.93263%0.632SS**PPolyproline II helixtrans-63116.8179.8-77.7164.2000112.5
196P49Very low62.1Low122 Ų122114.3 Ų114.379%0.79264%0.638SS**PPolyproline II helixtrans-81.3142175.8-10.829000112.2P194P194-P196 WeakPolarHBondContact O-CD 3.37Å
197R55.9Low62.4Low236 Ų236117.3 Ų117.389%0.89165%0.645SS**PPolyproline II helixtrans-72.3151.9167-76.6178.9173.5162.1-2.4110.7
198P51Low62.6Low118 Ų118115.2 Ų115.277%0.76664%0.642SS**PPolyproline II helixtrans-67.9134.4-173.727.1-35000112.5
199G51.2Low62.9Low50 Ų50113.9 Ų113.952%0.51564%0.635SS.*  trans-139.4170.6176.200000112.3S201 L202G199-S201 PolarHBondContact O-N 2.85Å; G199-L202 PolarHBondContact O-N 2.9Å
200T59.9Low63.6Low121 Ų121108.9 Ų108.974%0.74263%0.628SS**THydrogen-bonded Turntrans-48.2-27.3-16950.60000116.6L202 E203 L204T200-L202 PolarHBondContact O-N 3.3Å; T200-E203 PolarHBondContact O-N 3.49Å; T200-E203 VanDerWaalsContact O-N 3.11Å; T200-L204 PolarHBondContact O-N 3.41Å; T200-L204 VanDerWaalsContact O-N 3.14Å
201S59.6Low64.6Low83 Ų83111.5 Ų111.558%0.5863%0.626SS**Hα-helixtrans-54.6-36.6173.7-177.50000113G199 E203 L204 C205G199-S201 PolarHBondContact O-N 2.85Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 2.75Å; S201-L204 PolarHBondContact O-N 2.93Å; S201-C205 PolarHBondContact O-N 3.2Å
202L67Low65.9Low87 Ų87109.1 Ų109.146%0.45561%0.607SS.*Hα-helixtrans-64-38.2178-168.973.3000112G199 T200 C205 R206G199-L202 PolarHBondContact O-N 2.9Å; T200-L202 PolarHBondContact O-N 3.3Å; L202-C205 PolarHBondContact O-N 3.06Å; L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.85Å
203E67.3Low67.5Low101 Ų101112.7 Ų112.747%0.47261%0.607SS.*Hα-helixtrans-71.7-35.6176.6-73.6-52.9129.400112.4T200 S201 C205 R206 K207T200-E203 PolarHBondContact O-N 3.49Å; T200-E203 VanDerWaalsContact O-N 3.11Å; S201-E203 VanDerWaalsContact C-N 3.33Å; S201-E203 PolarHBondContact O-N 2.75Å; E203-C205 VanDerWaalsContact C-N 3.34Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-CZ 2.75Å; E203-R206 IonicContact OE1-NE 2.63Å; E203-R206 IonicContact OE1-NH1 3.14Å; E203-R206 PolarHBondContact OE1-NH1 2.69Å; E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.86Å
204L72.4Confident69.5Low121 Ų121112.6 Ų112.663%0.63461%0.607SS**Hα-helixtrans-62.9-42171.4-66.6176.2000111.2T200 S201 K207 A208T200-L204 PolarHBondContact O-N 3.41Å; T200-L204 VanDerWaalsContact O-N 3.14Å; S201-L204 PolarHBondContact O-N 2.93Å; L204-K207 PolarHBondContact O-N 3.24Å; L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.09Å
205C71.4Confident71.2Confident77 Ų77113.9 Ų113.952%0.5260%0.596SS.*Hα-helixtrans-62.4-46.9172.6-73.10000112.3S201 L202 E203 K207 A208 L209S201-C205 PolarHBondContact O-N 3.2Å; L202-C205 PolarHBondContact O-N 3.06Å; E203-C205 VanDerWaalsContact C-N 3.34Å; C205-K207 VanDerWaalsContact C-N 3.35Å; C205-K207 PolarHBondContact O-N 2.88Å; C205-A208 PolarHBondContact O-N 3.22Å; C205-L209 WeakPolarHBondContact O-CB 3.39Å; C205-L209 PolarHBondContact O-N 2.86Å
206R76.9Confident73.1Confident145 Ų145108.7 Ų108.755%0.54757%0.569SS.*Hα-helixtrans-58.1-45.1175.4-75.9166.8170.6179.1-3.8111.9L202 E203 L209 A210L202-R206 WeakPolarHBondContact O-CG 3.48Å; L202-R206 PolarHBondContact O-N 2.85Å; E203-R206 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-CZ 2.75Å; E203-R206 IonicContact OE1-NE 2.63Å; E203-R206 IonicContact OE1-NH1 3.14Å; E203-R206 PolarHBondContact OE1-NH1 2.69Å; R206-L209 PolarHBondContact O-N 3.19Å; R206-A210 WeakPolarHBondContact O-CB 3.4Å; R206-A210 PolarHBondContact O-N 3.04Å
207K83.4Confident75.1Confident131 Ų131108.6 Ų108.657%0.5756%0.561SS**Hα-helixtrans-68.1-34.3179.1-164.5168-172170.30112.4E203 L204 C205 R211E203-K207 WeakPolarHBondContact O-CB 3.41Å; E203-K207 PolarHBondContact O-N 2.86Å; L204-K207 PolarHBondContact O-N 3.24Å; C205-K207 VanDerWaalsContact C-N 3.35Å; C205-K207 PolarHBondContact O-N 2.88Å; K207-R211 WeakPolarHBondContact O-CB 3.36Å; K207-R211 WeakPolarHBondContact O-CD 3.22Å; K207-R211 VanDerWaalsContact O-CG 3.23Å; K207-R211 WeakPolarHBondContact O-CG 3.17Å; K207-R211 PolarHBondContact O-N 2.65Å
208A80.4Confident76.7Confident58 Ų58100.5 Ų100.548%0.47954%0.541SS..Hα-helixtrans-68.1-44.6171.400000111.9L204 C205 R211 Q212L204-A208 WeakPolarHBondContact O-CB 3.42Å; L204-A208 PolarHBondContact O-N 3.09Å; C205-A208 PolarHBondContact O-N 3.22Å; A208-R211 WeakPolarHBondContact O-CB 3.45Å; A208-R211 PolarHBondContact O-N 3.06Å; A208-Q212 PolarHBondContact O-N 3.13Å
209L82.9Confident78.6Confident98 Ų98100.1 Ų100.151%0.51353%0.529SS..Hα-helixtrans-66.9-38.5179.5-144.4167.2000111.5C205 R206 Q212 R213C205-L209 WeakPolarHBondContact O-CB 3.39Å; C205-L209 PolarHBondContact O-N 2.86Å; R206-L209 PolarHBondContact O-N 3.19Å; L209-Q212 PolarHBondContact O-N 2.79Å; L209-R213 HydrophobicContact CD2-CG 4.2Å; L209-R213 VanDerWaalsContact CD2-NE 3.35Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å
210A85.6Confident80.2Confident58 Ų58101.7 Ų101.748%0.47953%0.528SS..Hα-helixtrans-63.8-41.7171.200000112.4R206 Q212 R213 A214R206-A210 WeakPolarHBondContact O-CB 3.4Å; R206-A210 PolarHBondContact O-N 3.04Å; A210-Q212 VanDerWaalsContact C-N 3.34Å; A210-R213 PolarHBondContact O-N 2.9Å; A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 2.82Å
211R84.4Confident81.6Confident165 Ų16598.1 Ų98.162%0.62351%0.512SS*.Hα-helixtrans-64.6-36.1173.9-79.1171168.8-170-6.3112.7K207 A208 A214 R215K207-R211 WeakPolarHBondContact O-CB 3.36Å; K207-R211 WeakPolarHBondContact O-CD 3.22Å; K207-R211 VanDerWaalsContact O-CG 3.23Å; K207-R211 WeakPolarHBondContact O-CG 3.17Å; K207-R211 PolarHBondContact O-N 2.65Å; A208-R211 WeakPolarHBondContact O-CB 3.45Å; A208-R211 PolarHBondContact O-N 3.06Å; R211-A214 PolarHBondContact O-N 3.4Å; R211-R215 WeakPolarHBondContact O-CG 3.38Å; R211-R215 PolarHBondContact O-N 3.42Å; R211-R215 VanDerWaalsContact O-N 3.16Å
212Q86.5Confident82.9Confident78 Ų7897.6 Ų97.636%0.36451%0.508SS..Hα-helixtrans-68.4-48.7175.1-16855.640.800110.8A208 L209 A210 A214 R215 D216A208-Q212 PolarHBondContact O-N 3.13Å; L209-Q212 PolarHBondContact O-N 2.79Å; A210-Q212 VanDerWaalsContact C-N 3.34Å; Q212-A214 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact O-N 3.16Å; Q212-R215 CarbonylContact O-C 3.54Å; Q212-R215 WeakPolarHBondContact O-CA 3.37Å; Q212-R215 WeakPolarHBondContact O-CB 3.31Å; Q212-R215 PolarHBondContact O-N 2.82Å; Q212-D216 PolarHBondContact NE2-OD1 2.74Å; Q212-D216 PolarHBondContact O-N 3.27Å
213R87.1Confident83.9Confident161 Ų16196 Ų9661%0.60851%0.508SS*.Hα-helixtrans-53.7-38.8173.6-71.6173.5179.9-168.1-1113.1L209 A210 D216 L217L209-R213 HydrophobicContact CD2-CG 4.2Å; L209-R213 VanDerWaalsContact CD2-NE 3.35Å; L209-R213 WeakPolarHBondContact O-CG 3.42Å; L209-R213 PolarHBondContact O-N 3.27Å; A210-R213 PolarHBondContact O-N 2.9Å; R213-D216 WeakPolarHBondContact CA-OD2 3.37Å; R213-D216 PolarHBondContact O-N 2.98Å; R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.1Å; R213-L217 PolarHBondContact O-N 3.43Å
214A86.8Confident84.8Confident59 Ų5996.6 Ų96.649%0.48851%0.513SS..Hα-helixtrans-65.6-36.4175.400000112.8A210 R211 Q212 S218A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 2.82Å; R211-A214 PolarHBondContact O-N 3.4Å; Q212-A214 PolarHBondContact O-N 3.39Å; Q212-A214 VanDerWaalsContact O-N 3.16Å; A214-S218 WeakPolarHBondContact O-CB 3.14Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.44Å
215R87.7Confident85.7Confident145 Ų14595.8 Ų95.855%0.54751%0.509SS..Hα-helixtrans-67-52.4171.6-69.7168.6176.7166.5-6.7111.1R211 Q212 L217 S218 E219R211-R215 WeakPolarHBondContact O-CG 3.38Å; R211-R215 PolarHBondContact O-N 3.42Å; R211-R215 VanDerWaalsContact O-N 3.16Å; Q212-R215 CarbonylContact O-C 3.54Å; Q212-R215 WeakPolarHBondContact O-CA 3.37Å; Q212-R215 WeakPolarHBondContact O-CB 3.31Å; Q212-R215 PolarHBondContact O-N 2.82Å; R215-L217 PolarHBondContact O-N 3.43Å; R215-S218 WeakPolarHBondContact CA-OG 3.47Å; R215-S218 CarbonylContact O-C 3.59Å; R215-S218 WeakPolarHBondContact O-CA 3.21Å; R215-S218 PolarHBondContact O-N 2.81Å; R215-S218 PolarHBondContact O-OG 3.08Å; R215-E219 WeakPolarHBondContact O-CB 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.99Å
216D89.1Confident86.5Confident68 Ų6894.5 Ų94.536%0.36450%0.503SS..Hα-helixtrans-53.4-41179.5-48.1-29.5000111.3Q212 R213 T220Q212-D216 PolarHBondContact NE2-OD1 2.74Å; Q212-D216 PolarHBondContact O-N 3.27Å; R213-D216 WeakPolarHBondContact CA-OD2 3.37Å; R213-D216 PolarHBondContact O-N 2.98Å; D216-T220 WeakPolarHBondContact O-CG2 3.39Å; D216-T220 PolarHBondContact O-N 2.93Å; D216-T220 PolarHBondContact O-OG1 3.47Å
217L90.9Very high86.8Confident121 Ų12193.3 Ų93.363%0.63450%0.502SS*.Hα-helixtrans-69.9-40174.4-71.8169.9000113R213 R215 E219 T220 A221R213-L217 WeakPolarHBondContact O-CB 3.16Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.1Å; R213-L217 PolarHBondContact O-N 3.43Å; R215-L217 PolarHBondContact O-N 3.43Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-T220 PolarHBondContact O-OG1 3.39Å; L217-T220 VanDerWaalsContact O-OG1 3.11Å; L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.38Å
218S89.6Confident87.1Confident66 Ų6691.2 Ų91.246%0.46250%0.498SS..Hα-helixtrans-67.5-33.8175.172.20000112.7A214 R215 S222A214-S218 WeakPolarHBondContact O-CB 3.14Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.44Å; R215-S218 WeakPolarHBondContact CA-OG 3.47Å; R215-S218 CarbonylContact O-C 3.59Å; R215-S218 WeakPolarHBondContact O-CA 3.21Å; R215-S218 PolarHBondContact O-N 2.81Å; R215-S218 PolarHBondContact O-OG 3.08Å; S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 3.1Å
219E89.6Confident87.7Confident110 Ų11095.8 Ų95.851%0.51451%0.507SS..Hα-helixtrans-69.4-46.5177-73.8170.4-149.300110.3R215 L217 A221 S222 A223R215-E219 WeakPolarHBondContact O-CB 3.15Å; R215-E219 WeakPolarHBondContact O-CG 3.49Å; R215-E219 PolarHBondContact O-N 2.99Å; L217-E219 VanDerWaalsContact C-N 3.33Å; E219-A221 PolarHBondContact O-N 3.12Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 PolarHBondContact O-OG 2.87Å; E219-A223 WeakPolarHBondContact O-CB 3.46Å; E219-A223 PolarHBondContact O-N 3.45Å
220T86.7Confident88.1Confident82 Ų8296 Ų9650%0.50351%0.505SS..Hα-helixtrans-63.4-40.5174.654.10000112.2D216 L217 S222 A223 L224D216-T220 WeakPolarHBondContact O-CG2 3.39Å; D216-T220 PolarHBondContact O-N 2.93Å; D216-T220 PolarHBondContact O-OG1 3.47Å; L217-T220 PolarHBondContact O-OG1 3.39Å; L217-T220 VanDerWaalsContact O-OG1 3.11Å; T220-S222 PolarHBondContact O-N 3.1Å; T220-A223 PolarHBondContact O-N 2.92Å; T220-L224 WeakPolarHBondContact O-CG 3.32Å; T220-L224 PolarHBondContact O-N 2.99Å
221A88.8Confident87.9Confident47 Ų4797.3 Ų97.339%0.38850%0.503SS..Hα-helixtrans-61.6-40.6172.400000112.4L217 E219 A223 L224 L225L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.38Å; E219-A221 PolarHBondContact O-N 3.12Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.35Å; A221-L224 PolarHBondContact O-N 2.82Å; A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 3.18Å
222S87.4Confident88.1Confident72 Ų7291.5 Ų91.550%0.50349%0.49SS..Hα-helixtrans-65.6-36.4176.582.70000112.5S218 E219 T220 L225 A226S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 3.1Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 PolarHBondContact O-OG 2.87Å; T220-S222 PolarHBondContact O-N 3.1Å; S222-L225 PolarHBondContact O-N 3.07Å; S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 2.74Å
223A86.6Confident88.1Confident54 Ų5488.8 Ų88.845%0.44648%0.481SS..Hα-helixtrans-71.1-37.9178.300000112.2E219 T220 A221 A226 K227E219-A223 WeakPolarHBondContact O-CB 3.46Å; E219-A223 PolarHBondContact O-N 3.45Å; T220-A223 PolarHBondContact O-N 2.92Å; A221-A223 VanDerWaalsContact C-N 3.34Å; A221-A223 PolarHBondContact O-N 3.35Å; A223-A226 PolarHBondContact O-N 2.89Å; A223-K227 WeakPolarHBondContact O-CG 3.41Å; A223-K227 PolarHBondContact O-N 3.35Å
224L86.6Confident88Confident112 Ų11285.9 Ų85.959%0.58648%0.477SS*.Hα-helixtrans-62.4-50170.3-70.5169.8000110.9T220 A221 A226 K227 D228T220-L224 WeakPolarHBondContact O-CG 3.32Å; T220-L224 PolarHBondContact O-N 2.99Å; A221-L224 PolarHBondContact O-N 2.82Å; L224-A226 PolarHBondContact O-N 3.43Å; L224-K227 CarbonylContact O-C 3.58Å; L224-K227 WeakPolarHBondContact O-CA 3.48Å; L224-K227 WeakPolarHBondContact O-CB 3.27Å; L224-K227 PolarHBondContact O-N 3.44Å; L224-D228 PolarHBondContact O-N 3.32Å
225L90.6Very high87.8Confident105 Ų10588.1 Ų88.155%0.5548%0.477SS..Hα-helixtrans-61.7-28.3176.2-69.9172000113.4A221 S222 K229A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 3.18Å; S222-L225 PolarHBondContact O-N 3.07Å; L225-K229 VanDerWaalsContact O-CG 3.26Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 2.9Å; L225-K229 VanDerWaalsContact O-N 3.16Å
226A89Confident87.8Confident49 Ų4988.7 Ų88.741%0.40548%0.479SS..Hα-helixtrans-71.7-36171.100000112.2S222 A223 L224 K229 Q230S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 2.74Å; A223-A226 PolarHBondContact O-N 2.89Å; L224-A226 PolarHBondContact O-N 3.43Å; A226-K229 PolarHBondContact O-N 2.9Å; A226-Q230 WeakPolarHBondContact O-CG 3.2Å; A226-Q230 PolarHBondContact O-N 2.99Å; A226-Q230 VanDerWaalsContact O-N 3.1Å
227K84.2Confident87.7Confident121 Ų12190.1 Ų90.153%0.52648%0.484SS..Hα-helixtrans-69.9-41.1173-73.9-75.1164.3-164.60112.2A223 L224 K229 Q230 I231A223-K227 WeakPolarHBondContact O-CG 3.41Å; A223-K227 PolarHBondContact O-N 3.35Å; L224-K227 CarbonylContact O-C 3.58Å; L224-K227 WeakPolarHBondContact O-CA 3.48Å; L224-K227 WeakPolarHBondContact O-CB 3.27Å; L224-K227 PolarHBondContact O-N 3.44Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 3.41Å; K227-Q230 WeakPolarHBondContact O-CA 3.39Å; K227-Q230 WeakPolarHBondContact O-CB 3.34Å; K227-Q230 PolarHBondContact O-N 3.28Å; K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.43Å
228D88.9Confident87Confident87 Ų8787.7 Ų87.747%0.46548%0.476SS..Hα-helixtrans-60.6-37.9173.8-63.3-34000111.5L224 I231 A232L224-D228 PolarHBondContact O-N 3.32Å; D228-I231 PolarHBondContact O-N 3.14Å; D228-A232 VanDerWaalsContact O-CB 3.3Å; D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 2.84Å
229K92.8Very high86.8Confident154 Ų15491.7 Ų91.767%0.6748%0.481SS*.Hα-helixtrans-65.5-36.7171.9-75.4170.3-177.11780113.3L225 A226 K227 A233L225-K229 VanDerWaalsContact O-CG 3.26Å; L225-K229 WeakPolarHBondContact O-CG 3.34Å; L225-K229 PolarHBondContact O-N 2.9Å; L225-K229 VanDerWaalsContact O-N 3.16Å; A226-K229 PolarHBondContact O-N 2.9Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 3.41Å; K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 2.67Å
230Q90.4Very high86.5Confident103 Ų10391.3 Ų91.348%0.48148%0.479SS..Hα-helixtrans-66.2-44.2172.8-73.2178.8-16.300111A226 K227 A232 A233 L234A226-Q230 WeakPolarHBondContact O-CG 3.2Å; A226-Q230 PolarHBondContact O-N 2.99Å; A226-Q230 VanDerWaalsContact O-N 3.1Å; K227-Q230 WeakPolarHBondContact O-CA 3.39Å; K227-Q230 WeakPolarHBondContact O-CB 3.34Å; K227-Q230 PolarHBondContact O-N 3.28Å; Q230-A232 VanDerWaalsContact C-N 3.35Å; Q230-A232 PolarHBondContact O-N 3.11Å; Q230-A233 WeakPolarHBondContact O-CB 3.12Å; Q230-A233 PolarHBondContact O-N 2.7Å; Q230-A233 VanDerWaalsContact O-N 3.12Å; Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 3.22Å
231I82.8Confident86Confident85 Ų8592.6 Ų92.644%0.43648%0.483SS..Hα-helixtrans-60.5-44.3174.8-66.3164000110.5K227 D228 A233 L234 Q235K227-I231 WeakPolarHBondContact O-CG1 3.4Å; K227-I231 PolarHBondContact O-N 3.43Å; D228-I231 PolarHBondContact O-N 3.14Å; I231-A233 VanDerWaalsContact C-N 3.27Å; I231-A233 PolarHBondContact O-N 3.48Å; I231-L234 PolarHBondContact O-N 2.96Å; I231-Q235 HydrophobicContact CG2-CG 4.27Å; I231-Q235 VanDerWaalsContact O-CB 3.29Å; I231-Q235 WeakPolarHBondContact O-CB 3.17Å; I231-Q235 VanDerWaalsContact O-CG 3.24Å; I231-Q235 WeakPolarHBondContact O-CG 3.27Å; I231-Q235 PolarHBondContact O-N 3.45Å
232A87.6Confident85.2Confident42 Ų4296.5 Ų96.535%0.34749%0.493SS..Hα-helixtrans-71.3-15.1176.700000114.3D228 Q230 R236D228-A232 VanDerWaalsContact O-CB 3.3Å; D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 2.84Å; Q230-A232 VanDerWaalsContact C-N 3.35Å; Q230-A232 PolarHBondContact O-N 3.11Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-NE 2.84Å
233A87.7Confident84.5Confident21 Ų2195.7 Ų95.717%0.17449%0.49CS..Hα-helixtrans-80.1-54.1167.800000110.7K229 Q230 I231 Q235 R236 E237K229-A233 WeakPolarHBondContact O-CB 3.47Å; K229-A233 PolarHBondContact O-N 2.67Å; Q230-A233 WeakPolarHBondContact O-CB 3.12Å; Q230-A233 PolarHBondContact O-N 2.7Å; Q230-A233 VanDerWaalsContact O-N 3.12Å; I231-A233 VanDerWaalsContact C-N 3.27Å; I231-A233 PolarHBondContact O-N 3.48Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.31Å; A233-R236 WeakPolarHBondContact O-CA 3.47Å; A233-R236 WeakPolarHBondContact O-CB 3.19Å; A233-R236 PolarHBondContact O-N 3.12Å; A233-E237 PolarHBondContact O-N 2.84Å
234L84.4Confident83.9Confident101 Ų101100.3 Ų100.353%0.52950%0.496SS..Hα-helixtrans-56.9-40.2176.2-66.1169.9000111.9Q230 I231 R236 E237 C238Q230-L234 WeakPolarHBondContact O-CG 3.28Å; Q230-L234 PolarHBondContact O-N 3.22Å; I231-L234 PolarHBondContact O-N 2.96Å; L234-R236 PolarHBondContact O-N 3.29Å; L234-E237 PolarHBondContact O-N 3.2Å; L234-C238 WeakPolarHBondContact O-CB 3.45Å; L234-C238 PolarHBondContact O-N 3.21Å; L234-C238 PolarHBondContact O-SG 3.47Å
235Q83Confident82.7Confident105 Ų105100.3 Ų100.349%0.49150%0.496SS..Hα-helixtrans-65.9-20.3173.7-75.9177.7-1.700114.1I231 A233 R239I231-Q235 HydrophobicContact CG2-CG 4.27Å; I231-Q235 VanDerWaalsContact O-CB 3.29Å; I231-Q235 WeakPolarHBondContact O-CB 3.17Å; I231-Q235 VanDerWaalsContact O-CG 3.24Å; I231-Q235 WeakPolarHBondContact O-CG 3.27Å; I231-Q235 PolarHBondContact O-N 3.45Å; A233-Q235 VanDerWaalsContact C-N 3.28Å; A233-Q235 PolarHBondContact O-N 3.31Å; Q235-R239 PolarHBondContact O-NE 3.05Å; Q235-R239 PolarHBondContact O-NH2 2.74Å
236R87.8Confident81.5Confident157 Ų157100.6 Ų100.659%0.59250%0.502SS*.Hα-helixtrans-84.8-43.4170.8-75178.2-66.4132.31.5110.4A232 A233 L234 C238 R239 E240A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-NE 2.84Å; A233-R236 WeakPolarHBondContact O-CA 3.47Å; A233-R236 WeakPolarHBondContact O-CB 3.19Å; A233-R236 PolarHBondContact O-N 3.12Å; L234-R236 PolarHBondContact O-N 3.29Å; R236-C238 PolarHBondContact O-N 2.81Å; R236-R239 CarbonylContact O-C 3.58Å; R236-R239 PolarHBondContact O-N 2.78Å; R236-R239 VanDerWaalsContact O-N 3.13Å; R236-E240 PolarHBondContact O-N 3.22Å
237E85.8Confident80Confident99 Ų99105.8 Ų105.846%0.46352%0.522SS..Hα-helixtrans-58.3-46.8174.9-70159.8-13800111.5A233 L234 R239 E240 L241A233-E237 PolarHBondContact O-N 2.84Å; L234-E237 PolarHBondContact O-N 3.2Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; E237-E240 PolarHBondContact O-N 2.63Å; E237-E240 VanDerWaalsContact O-N 3.16Å; E237-L241 WeakPolarHBondContact O-CB 3.47Å; E237-L241 VanDerWaalsContact O-CG 3.28Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 2.93Å
238C77.9Confident78.6Confident69 Ų69105.5 Ų105.547%0.46653%0.531SS..Hα-helixtrans-60.5-38.1174.2-66.90000112.8L234 R236 Q242L234-C238 WeakPolarHBondContact O-CB 3.45Å; L234-C238 PolarHBondContact O-N 3.21Å; L234-C238 PolarHBondContact O-SG 3.47Å; R236-C238 PolarHBondContact O-N 2.81Å; C238-Q242 VanDerWaalsContact O-CB 3.23Å; C238-Q242 WeakPolarHBondContact O-CB 3.29Å; C238-Q242 PolarHBondContact O-N 3.11Å
239R84.1Confident76.9Confident150 Ų150104.2 Ų104.257%0.56654%0.538SS*.Hα-helixtrans-70.3-35.1175.2-83.7-179.9-74.1-176.2-6.6112.4Q235 R236 E237 A243Q235-R239 PolarHBondContact O-NE 3.05Å; Q235-R239 PolarHBondContact O-NH2 2.74Å; R236-R239 CarbonylContact O-C 3.58Å; R236-R239 PolarHBondContact O-N 2.78Å; R236-R239 VanDerWaalsContact O-N 3.13Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.85Å
240E83.9Confident74.9Confident102 Ų102105.6 Ų105.648%0.47754%0.544SS..Hα-helixtrans-71-42.5175.4-163.4-167.7135.900111.4R236 E237 Q242 A243 R244R236-E240 PolarHBondContact O-N 3.22Å; E237-E240 PolarHBondContact O-N 2.63Å; E237-E240 VanDerWaalsContact O-N 3.16Å; E240-Q242 VanDerWaalsContact C-N 3.34Å; E240-A243 PolarHBondContact O-N 2.78Å; E240-R244 WeakPolarHBondContact O-CB 3.05Å; E240-R244 WeakPolarHBondContact O-CD 3.14Å; E240-R244 VanDerWaalsContact O-CG 3.23Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.89Å; E240-R244 IonicContact OE1-CZ 2.73Å; E240-R244 IonicContact OE1-NE 3.59Å; E240-R244 PolarHBondContact OE1-NE 2.86Å; E240-R244 IonicContact OE1-NH2 3.22Å; E240-R244 PolarHBondContact OE1-NH2 3.02Å
241L75.5Confident73Confident110 Ų110110 Ų11058%0.57656%0.564SS**Hα-helixtrans-61.2-42.8172.5-71170.5000111.1E237 R244 L245E237-L241 WeakPolarHBondContact O-CB 3.47Å; E237-L241 VanDerWaalsContact O-CG 3.28Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 2.93Å; L241-R244 PolarHBondContact O-N 2.81Å; L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.01Å
242Q71.8Confident70.7Confident129 Ų129109 Ų10960%0.60358%0.575SS**Hα-helixtrans-63.3-42.1174-169.9172.919.800111.9C238 E240 L245 T246C238-Q242 VanDerWaalsContact O-CB 3.23Å; C238-Q242 WeakPolarHBondContact O-CB 3.29Å; C238-Q242 PolarHBondContact O-N 3.11Å; E240-Q242 VanDerWaalsContact C-N 3.34Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.87Å; Q242-T246 PolarHBondContact O-N 2.97Å; Q242-T246 PolarHBondContact O-OG1 2.74Å
243A73.4Confident68.8Low54 Ų54113 Ų11345%0.44660%0.597SS.*Hα-helixtrans-63.9-43.1175.100000112.3R239 E240 L245 T246 L247R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.85Å; E240-A243 PolarHBondContact O-N 2.78Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.23Å; A243-T246 WeakPolarHBondContact CA-OG1 3.28Å; A243-T246 PolarHBondContact O-N 3.08Å; A243-T246 PolarHBondContact O-OG1 3.47Å; A243-L247 PolarHBondContact O-N 3.04Å
244R74.4Confident67Low151 Ų151121.2 Ų121.257%0.5763%0.632SS**Hα-helixtrans-59.2-43.2172.3-72163176.3-107.57.2110.9E240 L241 L247 V248E240-R244 WeakPolarHBondContact O-CB 3.05Å; E240-R244 WeakPolarHBondContact O-CD 3.14Å; E240-R244 VanDerWaalsContact O-CG 3.23Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.89Å; E240-R244 IonicContact OE1-CZ 2.73Å; E240-R244 IonicContact OE1-NE 3.59Å; E240-R244 PolarHBondContact OE1-NE 2.86Å; E240-R244 IonicContact OE1-NH2 3.22Å; E240-R244 PolarHBondContact OE1-NH2 3.02Å; L241-R244 PolarHBondContact O-N 2.81Å; R244-L247 WeakPolarHBondContact O-CB 3.4Å; R244-L247 PolarHBondContact O-N 3.24Å; R244-L247 VanDerWaalsContact O-N 3.13Å; R244-V248 WeakPolarHBondContact O-CG2 3.23Å; R244-V248 PolarHBondContact O-N 3.17Å
245L61.6Low65.1Low112 Ų112126 Ų12659%0.58664%0.643SS**Hα-helixtrans-63.4-40.6176.8-149.977.6000112L241 Q242 A243 L247 V248L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 PolarHBondContact O-N 3.01Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.87Å; A243-L245 VanDerWaalsContact C-N 3.33Å; A243-L245 PolarHBondContact O-N 3.23Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 3.28Å; L245-V248 PolarHBondContact O-N 2.98Å
246T63.6Low63.4Low111 Ų111127.7 Ų127.768%0.68166%0.655SS**Hα-helixtrans-69.4-20.9174.152.40000113.9Q242 A243Q242-T246 PolarHBondContact O-N 2.97Å; Q242-T246 PolarHBondContact O-OG1 2.74Å; A243-T246 WeakPolarHBondContact CA-OG1 3.28Å; A243-T246 PolarHBondContact O-N 3.08Å; A243-T246 PolarHBondContact O-OG1 3.47Å
247L59.1Low61.8Low158 Ų158126 Ų12683%0.82765%0.654SS**Hα-helixtrans-83.1-32.1175.1-148.476.8000112.1A243 R244 L245 G249A243-L247 PolarHBondContact O-N 3.04Å; R244-L247 WeakPolarHBondContact O-CB 3.4Å; R244-L247 PolarHBondContact O-N 3.24Å; R244-L247 VanDerWaalsContact O-N 3.13Å; L245-L247 VanDerWaalsContact C-N 3.26Å; L245-L247 PolarHBondContact O-N 3.28Å; L247-G249 PolarHBondContact O-N 3.13Å
248V54.8Low60.4Low116 Ų116127 Ų12770%0.70367%0.666SS**SBendtrans-81.655.1171.7-172.50000109.9R244 L245 K250R244-V248 WeakPolarHBondContact O-CG2 3.23Å; R244-V248 PolarHBondContact O-N 3.17Å; L245-V248 PolarHBondContact O-N 2.98Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.64Å
249G53.3Low59.3Low59 Ų59133.8 Ų133.861%0.60868%0.682SS**  trans-78.972-177.700000113.6L247L247-G249 PolarHBondContact O-N 3.13Å
250K51.2Low58Low183 Ų183130.4 Ų130.480%0.79668%0.675SS**SBendtrans-178139.3141.2-102.5161.5-171.2-1710114.7V248V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.64Å
251E49.3Very low56.9Low196 Ų196131.6 Ų131.692%0.91668%0.679SS**  trans66.3102.8163.4-57.7-167.6-154.600118.6
252G35.2Very low56.5Low63 Ų63129.3 Ų129.365%0.64967%0.667SS**  trans171.8129172.800000108.5
253P46.8Very low56.7Low127 Ų127130.1 Ų130.183%0.82567%0.665SS**  trans-68.9157.4-170.526.2-33.7000113.6W255P253-W255 PolarHBondContact O-N 2.88Å
254Q50.8Low56.8Low194 Ų194132.7 Ų132.791%0.90767%0.671SS**  trans-51.3115.9-167-70.7151.8-16.100114.3
255W43.2Very low57.1Low200 Ų200129 Ų12976%0.75866%0.662SS**  trans-67.9134.9173.4-74.774.7000111.7P253 H257P253-W255 PolarHBondContact O-N 2.88Å; W255-H257 HydrophobicContact CB-CB 4.47Å; W255-H257 PolarHBondContact O-N 3.42Å
256L47.2Very low57.9Low142 Ų142130.3 Ų130.374%0.74366%0.659SS**THydrogen-bonded Turntrans-63.9-4.1-179.2-72157.8000115.4V258 R259L256-V258 PolarHBondContact O-N 3.33Å; L256-R259 PolarHBondContact O-N 3.07Å
257H55.9Low58.5Low122 Ų122128.6 Ų128.657%0.56564%0.643SS**Hα-helixtrans-56.1-24.2-159.9-156.7-40.6000115.9W255 F261W255-H257 HydrophobicContact CB-CB 4.47Å; W255-H257 PolarHBondContact O-N 3.42Å; H257-F261 WeakPolarHBondContact O-CB 3.49Å; H257-F261 PolarHBondContact O-N 3.29Å; H257-F261 VanDerWaalsContact O-N 3.16Å
258V54.6Low59.7Low120 Ų120124 Ų12473%0.72762%0.624SS**Hα-helixtrans-70.2-45-179.3-176.90000111.5L256 D262L256-V258 PolarHBondContact O-N 3.33Å; V258-D262 WeakPolarHBondContact O-CB 3.49Å; V258-D262 PolarHBondContact O-N 3.31Å; V258-D262 VanDerWaalsContact O-N 3.17Å
259R54.5Low60.8Low211 Ų211123.5 Ų123.580%0.79661%0.614SS**Hα-helixtrans-71.5-33-177.9-68.4-168.572.5178.20.7112.2L256 D262 R263L256-R259 PolarHBondContact O-N 3.07Å; R259-D262 PolarHBondContact O-N 2.75Å; R259-R263 WeakPolarHBondContact O-CB 3.23Å; R259-R263 PolarHBondContact O-N 3.04Å
260D58.6Low61.9Low79 Ų79127.9 Ų127.942%0.42261%0.612SS.*Hα-helixtrans-75.6-35.9179.8-60.4-39.6000112.3D262 R263 L264D260-D262 VanDerWaalsContact C-N 3.33Å; D260-R263 WeakPolarHBondContact O-CB 3.48Å; D260-R263 PolarHBondContact O-N 2.82Å; D260-L264 PolarHBondContact O-N 3.31Å
261F60.1Low63.4Low126 Ų126122.9 Ų122.955%0.55359%0.592SS**Hα-helixtrans-63.9-41.5170.8-168-92000111.4H257 L264 L265H257-F261 WeakPolarHBondContact O-CB 3.49Å; H257-F261 PolarHBondContact O-N 3.29Å; H257-F261 VanDerWaalsContact O-N 3.16Å; F261-L264 PolarHBondContact O-N 2.64Å; F261-L265 WeakPolarHBondContact O-CB 3.45Å; F261-L265 PolarHBondContact O-N 3.07Å
262D66.5Low65.3Low62 Ų62117.2 Ų117.233%0.33257%0.571SS.*Hα-helixtrans-65-37.8175.9-124.941.3000112.5V258 R259 D260 R266V258-D262 WeakPolarHBondContact O-CB 3.49Å; V258-D262 PolarHBondContact O-N 3.31Å; V258-D262 VanDerWaalsContact O-N 3.17Å; R259-D262 PolarHBondContact O-N 2.75Å; D260-D262 VanDerWaalsContact C-N 3.33Å; D262-R266 WeakPolarHBondContact O-CB 3.24Å; D262-R266 WeakPolarHBondContact O-CD 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.21Å; D262-R266 PolarHBondContact O-NE 3.45Å; D262-R266 IonicContact OD2-CZ 3.15Å; D262-R266 IonicContact OD2-NE 2.8Å; D262-R266 PolarHBondContact OD2-NE 3.15Å; D262-R266 IonicContact OD2-NH2 3.89Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å
263R76.8Confident67.6Low146 Ų146119.5 Ų119.555%0.55157%0.567SS**Hα-helixtrans-60.9-54.5171.5175.3-173.6-79.6-88.611.3110.8R259 D260 L265 R266 E267R259-R263 WeakPolarHBondContact O-CB 3.23Å; R259-R263 PolarHBondContact O-N 3.04Å; D260-R263 WeakPolarHBondContact O-CB 3.48Å; D260-R263 PolarHBondContact O-N 2.82Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 2.99Å; R263-R266 CarbonylContact O-C 3.59Å; R263-R266 PolarHBondContact O-N 3.38Å; R263-R266 VanDerWaalsContact O-N 3.16Å; R263-E267 VanDerWaalsContact CG-CD 3.48Å; R263-E267 HydrophobicContact CG-CG 4.47Å; R263-E267 WeakPolarHBondContact CG-OE1 2.99Å; R263-E267 IonicContact NH1-OE1 3.21Å; R263-E267 PolarHBondContact NH1-OE1 3.21Å; R263-E267 WeakPolarHBondContact O-CB 3.15Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 2.92Å
264L76.2Confident69.5Low109 Ų109119.1 Ų119.157%0.57155%0.549SS*.Hα-helixtrans-59.1-38.1178.3-102.964.1000112.6D260 F261 E267 S268D260-L264 PolarHBondContact O-N 3.31Å; F261-L264 PolarHBondContact O-N 2.64Å; L264-E267 PolarHBondContact O-N 3.18Å; L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 3.3Å; L264-S268 PolarHBondContact O-OG 2.84Å; L264-S268 VanDerWaalsContact O-OG 3.08Å
265L80.3Confident71.1Confident73 Ų73113.5 Ų113.538%0.38253%0.525SS..Hα-helixtrans-64.8-45.7176.4-175.260.3000111F261 R263 E267 S268 Q269F261-L265 WeakPolarHBondContact O-CB 3.45Å; F261-L265 PolarHBondContact O-N 3.07Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 2.99Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.43Å; L265-S268 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-OG 3.33Å; L265-Q269 WeakPolarHBondContact O-CB 3.5Å; L265-Q269 VanDerWaalsContact O-CG 3.23Å; L265-Q269 WeakPolarHBondContact O-CG 3.5Å; L265-Q269 PolarHBondContact O-N 2.76Å
266R77.8Confident72.8Confident140 Ų140109.4 Ų109.453%0.52851%0.514SS..Hα-helixtrans-69-26.5176.6-65160.1-163.6-90.33.1112.7D262 R263 R270D262-R266 WeakPolarHBondContact O-CB 3.24Å; D262-R266 WeakPolarHBondContact O-CD 3.27Å; D262-R266 WeakPolarHBondContact O-CG 3.37Å; D262-R266 PolarHBondContact O-N 3.21Å; D262-R266 PolarHBondContact O-NE 3.45Å; D262-R266 IonicContact OD2-CZ 3.15Å; D262-R266 IonicContact OD2-NE 2.8Å; D262-R266 PolarHBondContact OD2-NE 3.15Å; D262-R266 IonicContact OD2-NH2 3.89Å; D262-R266 PolarHBondContact OD2-NH2 3.19Å; R263-R266 CarbonylContact O-C 3.59Å; R263-R266 PolarHBondContact O-N 3.38Å; R263-R266 VanDerWaalsContact O-N 3.16Å; R266-R270 WeakPolarHBondContact O-CB 3.23Å; R266-R270 VanDerWaalsContact O-CG 3.31Å; R266-R270 WeakPolarHBondContact O-CG 3.38Å; R266-R270 PolarHBondContact O-N 3.49Å; R266-R270 PolarHBondContact O-NE 3.16Å
267E77.2Confident74.4Confident74 Ų74111.4 Ų111.435%0.34651%0.512SS..Hα-helixtrans-78.5-44.6175.3-73.4166.2-175.200111.4R263 L264 L265 Q269 R270 E271R263-E267 VanDerWaalsContact CG-CD 3.48Å; R263-E267 HydrophobicContact CG-CG 4.47Å; R263-E267 WeakPolarHBondContact CG-OE1 2.99Å; R263-E267 IonicContact NH1-OE1 3.21Å; R263-E267 PolarHBondContact NH1-OE1 3.21Å; R263-E267 WeakPolarHBondContact O-CB 3.15Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 2.92Å; L264-E267 PolarHBondContact O-N 3.18Å; L265-E267 VanDerWaalsContact C-N 3.3Å; L265-E267 PolarHBondContact O-N 3.43Å; E267-Q269 PolarHBondContact O-N 3.06Å; E267-R270 VanDerWaalsContact CG-NH2 3.28Å; E267-R270 PolarHBondContact O-N 3.34Å; E267-R270 IonicContact OE1-NH2 2.67Å; E267-E271 PolarHBondContact O-N 3.27Å
268S83.1Confident75.3Confident61 Ų61110.8 Ų110.843%0.42751%0.51SS..Hα-helixtrans-62.8-38.9173.563.20000112.8L264 L265 E271 V272L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 3.3Å; L264-S268 PolarHBondContact O-OG 2.84Å; L264-S268 VanDerWaalsContact O-OG 3.08Å; L265-S268 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-OG 3.33Å; S268-E271 PolarHBondContact O-N 2.76Å; S268-V272 WeakPolarHBondContact O-CG2 3.49Å; S268-V272 PolarHBondContact O-N 3.5Å
269Q77.1Confident76.5Confident106 Ų106109.8 Ų109.850%0.49550%0.499SS..Hα-helixtrans-62.4-41.5172.6-74.2171.1-1.800112.4L265 E267 V272 L273L265-Q269 WeakPolarHBondContact O-CB 3.5Å; L265-Q269 VanDerWaalsContact O-CG 3.23Å; L265-Q269 WeakPolarHBondContact O-CG 3.5Å; L265-Q269 PolarHBondContact O-N 2.76Å; E267-Q269 PolarHBondContact O-N 3.06Å; Q269-V272 PolarHBondContact O-N 3.36Å; Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 2.59Å
270R77.6Confident77.4Confident151 Ų151101.8 Ų101.857%0.5748%0.478SS*.Hα-helixtrans-65-39.1174.9-79.7178.6-76.5-1802.1111.8R266 E267 L273 R274R266-R270 WeakPolarHBondContact O-CB 3.23Å; R266-R270 VanDerWaalsContact O-CG 3.31Å; R266-R270 WeakPolarHBondContact O-CG 3.38Å; R266-R270 PolarHBondContact O-N 3.49Å; R266-R270 PolarHBondContact O-NE 3.16Å; E267-R270 VanDerWaalsContact CG-NH2 3.28Å; E267-R270 PolarHBondContact O-N 3.34Å; E267-R270 IonicContact OE1-NH2 2.67Å; R270-L273 PolarHBondContact O-N 2.85Å; R270-R274 WeakPolarHBondContact O-CB 3.32Å; R270-R274 PolarHBondContact O-N 2.86Å
271E81.8Confident78.2Confident79 Ų79102.2 Ų102.237%0.36948%0.48SS..Hα-helixtrans-69.3-39.4177-176.158.9-168.100112.5E267 S268 L273 R274 L275E267-E271 PolarHBondContact O-N 3.27Å; S268-E271 PolarHBondContact O-N 2.76Å; E271-L273 PolarHBondContact O-N 3.35Å; E271-R274 WeakPolarHBondContact O-CB 3.24Å; E271-R274 PolarHBondContact O-N 3.16Å; E271-R274 IonicContact OE1-CZ 2.7Å; E271-R274 IonicContact OE1-NE 3.54Å; E271-R274 PolarHBondContact OE1-NE 2.78Å; E271-R274 IonicContact OE1-NH2 2.63Å; E271-R274 PolarHBondContact OE1-NH2 3.09Å; E271-R274 WeakPolarHBondContact OE2-CD 3.4Å; E271-R274 IonicContact OE2-CZ 3.64Å; E271-R274 IonicContact OE2-NE 3.69Å; E271-R274 PolarHBondContact OE2-NE 3.41Å; E271-R274 IonicContact OE2-NH2 3.57Å; E271-L275 HydrophobicContact CG-CD1 4.18Å; E271-L275 WeakPolarHBondContact O-CB 3.16Å; E271-L275 WeakPolarHBondContact O-CG 3.42Å; E271-L275 PolarHBondContact O-N 3.23Å
272V89.1Confident79Confident77 Ų77103.6 Ų103.647%0.46748%0.481SS..Hα-helixtrans-59.2-45.3171.51680000111S268 Q269 R274 L275 Q276S268-V272 WeakPolarHBondContact O-CG2 3.49Å; S268-V272 PolarHBondContact O-N 3.5Å; Q269-V272 PolarHBondContact O-N 3.36Å; V272-R274 VanDerWaalsContact C-N 3.35Å; V272-R274 PolarHBondContact O-N 2.54Å; V272-L275 PolarHBondContact O-N 2.99Å; V272-Q276 HydrophobicContact CG1-CG 4.41Å; V272-Q276 WeakPolarHBondContact O-CB 3.44Å; V272-Q276 WeakPolarHBondContact O-CG 3.33Å; V272-Q276 PolarHBondContact O-N 3.16Å
273L84.8Confident79.1Confident110 Ų110104.7 Ų104.758%0.57649%0.487SS*.Hα-helixtrans-64.6-37.5175.5-71.3169.4000112.2Q269 R270 E271 R277Q269-L273 WeakPolarHBondContact O-CG 3.37Å; Q269-L273 PolarHBondContact O-N 2.59Å; R270-L273 PolarHBondContact O-N 2.85Å; E271-L273 PolarHBondContact O-N 3.35Å; L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 PolarHBondContact O-N 2.99Å
274R86.9Confident78.3Confident119 Ų119103.8 Ų103.845%0.44949%0.489SS..Hα-helixtrans-61.8-47174.9-162.7-170.369.468.24.2111R270 E271 V272 R277 Q278R270-R274 WeakPolarHBondContact O-CB 3.32Å; R270-R274 PolarHBondContact O-N 2.86Å; E271-R274 WeakPolarHBondContact O-CB 3.24Å; E271-R274 PolarHBondContact O-N 3.16Å; E271-R274 IonicContact OE1-CZ 2.7Å; E271-R274 IonicContact OE1-NE 3.54Å; E271-R274 PolarHBondContact OE1-NE 2.78Å; E271-R274 IonicContact OE1-NH2 2.63Å; E271-R274 PolarHBondContact OE1-NH2 3.09Å; E271-R274 WeakPolarHBondContact OE2-CD 3.4Å; E271-R274 IonicContact OE2-CZ 3.64Å; E271-R274 IonicContact OE2-NE 3.69Å; E271-R274 PolarHBondContact OE2-NE 3.41Å; E271-R274 IonicContact OE2-NH2 3.57Å; V272-R274 VanDerWaalsContact C-N 3.35Å; V272-R274 PolarHBondContact O-N 2.54Å; R274-R277 PolarHBondContact O-N 2.81Å; R274-Q278 WeakPolarHBondContact O-CB 3.04Å; R274-Q278 PolarHBondContact O-N 2.98Å
275L83.8Confident77.4Confident76 Ų76108.8 Ų108.840%0.39850%0.501SS..Hα-helixtrans-67.8-43.3178.5-69.1170.1000112.1E271 V272 R277 Q278 I279E271-L275 HydrophobicContact CG-CD1 4.18Å; E271-L275 WeakPolarHBondContact O-CB 3.16Å; E271-L275 WeakPolarHBondContact O-CG 3.42Å; E271-L275 PolarHBondContact O-N 3.23Å; V272-L275 PolarHBondContact O-N 2.99Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.84Å; L275-Q278 PolarHBondContact O-N 3.45Å; L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 2.96Å
276Q79.7Confident75.9Confident115 Ų115111.2 Ų111.254%0.53751%0.51SS..Hα-helixtrans-59-43.9173.2-77.3179.9-10.800111.7V272 Q278 I279 A280V272-Q276 HydrophobicContact CG1-CG 4.41Å; V272-Q276 WeakPolarHBondContact O-CB 3.44Å; V272-Q276 WeakPolarHBondContact O-CG 3.33Å; V272-Q276 PolarHBondContact O-N 3.16Å; Q276-Q278 VanDerWaalsContact C-N 3.35Å; Q276-Q278 PolarHBondContact O-N 3.34Å; Q276-I279 PolarHBondContact O-N 2.8Å; Q276-A280 WeakPolarHBondContact O-CB 3.36Å; Q276-A280 PolarHBondContact O-N 2.73Å
277R79.3Confident74.2Confident183 Ų183109.5 Ų109.569%0.69152%0.515SS*.Hα-helixtrans-65.2-37.6175.4-169.5174.1-175.61761.3112L273 R274 L275 A280 L281L273-R277 VanDerWaalsContact O-CB 3.3Å; L273-R277 WeakPolarHBondContact O-CB 3.38Å; L273-R277 PolarHBondContact O-N 2.99Å; R274-R277 PolarHBondContact O-N 2.81Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.84Å; R277-A280 PolarHBondContact O-N 3.17Å; R277-L281 HydrophobicContact CG-CD1 4.15Å; R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.49Å; R277-L281 PolarHBondContact O-N 3.01Å
278Q75.7Confident72.1Confident110 Ų110113.1 Ų113.151%0.51454%0.536SS..Hα-helixtrans-67.6-37.1176.4-166.8168-0.500112.1R274 L275 Q276 R282R274-Q278 WeakPolarHBondContact O-CB 3.04Å; R274-Q278 PolarHBondContact O-N 2.98Å; L275-Q278 PolarHBondContact O-N 3.45Å; Q276-Q278 VanDerWaalsContact C-N 3.35Å; Q276-Q278 PolarHBondContact O-N 3.34Å; Q278-R282 WeakPolarHBondContact O-CB 3.19Å; Q278-R282 PolarHBondContact O-N 3.33Å
279I79.1Confident70.3Confident99 Ų99116 Ų11651%0.50855%0.553SS.*Hα-helixtrans-67.9-45.2171.6-67.6163.5000110.8L275 Q276 L281 R282 N283L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 2.96Å; Q276-I279 PolarHBondContact O-N 2.8Å; I279-L281 PolarHBondContact O-N 3.28Å; I279-R282 WeakPolarHBondContact O-CB 3.4Å; I279-R282 PolarHBondContact O-N 3.37Å; I279-R282 VanDerWaalsContact O-N 3.17Å; I279-N283 VanDerWaalsContact O-CG 3.24Å; I279-N283 PolarHBondContact O-N 2.92Å; I279-N283 PolarHBondContact O-OD1 3.05Å
280A75Confident68.6Low43 Ų43118.8 Ų118.836%0.35557%0.57SS.*Hα-helixtrans-60.8-44.917800000112.2Q276 R277 R282 N283 Q284Q276-A280 WeakPolarHBondContact O-CB 3.36Å; Q276-A280 PolarHBondContact O-N 2.73Å; R277-A280 PolarHBondContact O-N 3.17Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.05Å; A280-N283 PolarHBondContact O-N 2.92Å; A280-Q284 VanDerWaalsContact O-CG 3.32Å; A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 2.76Å
281L74.1Confident66.8Low87 Ų87116.9 Ų116.946%0.45558%0.578SS.*Hα-helixtrans-66-31.7175.3-72.4169.4000112.7R277 I279 R285R277-L281 HydrophobicContact CG-CD1 4.15Å; R277-L281 WeakPolarHBondContact O-CB 3.49Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.49Å; R277-L281 PolarHBondContact O-N 3.01Å; I279-L281 PolarHBondContact O-N 3.28Å; L281-R285 WeakPolarHBondContact O-CG 3.39Å; L281-R285 PolarHBondContact O-N 3.06Å
282R76.4Confident64.7Low156 Ų156119.3 Ų119.359%0.58960%0.601SS**Hα-helixtrans-67.2-49.5171.2-179.8-179.7169.9-162.6-14.7111Q278 I279 A280 Q284 R285 E286Q278-R282 WeakPolarHBondContact O-CB 3.19Å; Q278-R282 PolarHBondContact O-N 3.33Å; I279-R282 WeakPolarHBondContact O-CB 3.4Å; I279-R282 PolarHBondContact O-N 3.37Å; I279-R282 VanDerWaalsContact O-N 3.17Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.05Å; R282-Q284 VanDerWaalsContact C-N 3.31Å; R282-Q284 PolarHBondContact O-N 2.93Å; R282-R285 WeakPolarHBondContact O-CA 3.36Å; R282-R285 WeakPolarHBondContact O-CB 3.48Å; R282-R285 PolarHBondContact O-N 2.61Å; R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact NE-OE1 3.45Å; R282-E286 PolarHBondContact NE-OE1 3.17Å; R282-E286 IonicContact NH2-OE1 3.77Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 3.59Å; R282-E286 PolarHBondContact O-N 3.03Å
283N69.6Low62Low84 Ų84121.2 Ų121.245%0.44962%0.617SS.*Hα-helixtrans-60-42.1-179.9-66.3-3000111.1I279 A280 R285 E286 T287I279-N283 VanDerWaalsContact O-CG 3.24Å; I279-N283 PolarHBondContact O-N 2.92Å; I279-N283 PolarHBondContact O-OD1 3.05Å; A280-N283 PolarHBondContact O-N 2.92Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.6Å; N283-E286 CarbonylContact O-C 3.55Å; N283-E286 PolarHBondContact O-N 3.4Å; N283-T287 PolarHBondContact O-N 3.2Å; N283-T287 PolarHBondContact O-OG1 2.79Å
284Q59.2Low59.4Low128 Ų128128.2 Ų128.260%0.59864%0.636SS**Hα-helixtrans-61.6-30.7174.4-73.5172.95.500113.6A280 R282A280-Q284 VanDerWaalsContact O-CG 3.32Å; A280-Q284 WeakPolarHBondContact O-CG 3.44Å; A280-Q284 PolarHBondContact O-N 2.76Å; R282-Q284 VanDerWaalsContact C-N 3.31Å; R282-Q284 PolarHBondContact O-N 2.93Å
285R57Low57.2Low214 Ų214127.6 Ų127.681%0.80865%0.647SS**Hα-helixtrans-77.9-22.1172.9-73.7173.4173.8-176.1-1.9113.3L281 R282 N283L281-R285 WeakPolarHBondContact O-CG 3.39Å; L281-R285 PolarHBondContact O-N 3.06Å; R282-R285 WeakPolarHBondContact O-CA 3.36Å; R282-R285 WeakPolarHBondContact O-CB 3.48Å; R282-R285 PolarHBondContact O-N 2.61Å; N283-R285 VanDerWaalsContact C-N 3.27Å; N283-R285 PolarHBondContact O-N 2.6Å
286E50.7Low55.2Low124 Ų124130 Ų13058%0.57967%0.668SS**Hα-helixtrans-87.2-23.9175.2-68.2-177.4-164.300112R282 N283R282-E286 IonicContact CZ-OE1 2.67Å; R282-E286 IonicContact NE-OE1 3.45Å; R282-E286 PolarHBondContact NE-OE1 3.17Å; R282-E286 IonicContact NH2-OE1 3.77Å; R282-E286 PolarHBondContact NH2-OE1 2.9Å; R282-E286 IonicContact NH2-OE2 3.59Å; R282-E286 PolarHBondContact O-N 3.03Å; N283-E286 CarbonylContact O-C 3.55Å; N283-E286 PolarHBondContact O-N 3.4Å
287T40.4Very low52.8Low103 Ų103127.5 Ų127.563%0.63267%0.673SS**  trans-99.173172.657.80000113.4N283N283-T287 PolarHBondContact O-N 3.2Å; N283-T287 PolarHBondContact O-OG1 2.79Å
288L34.7Very low51.1Low151 Ų151125.4 Ų125.479%0.79168%0.683SS**PPolyproline II helixtrans-85.3124160.4-84.2165.9000109.9
289P44.1Very low49.1Very low121 Ų121124.8 Ų124.879%0.78670%0.697SS**PPolyproline II helixtrans-68.2136.4175.2-19.132.4000112.2
290L42.3Very low46.9Very low164 Ų164128.2 Ų128.286%0.85972%0.715SS**PPolyproline II helixtrans-72.3146.8161.6-75.1163.7000109.5
291P38.9Very low44.9Very low112 Ų112135.2 Ų135.273%0.72774%0.741SS**PPolyproline II helixtrans-69.3144-17728.7-35.2000111.8S293P291-S293 PolarHBondContact O-N 3.19Å
292P37.2Very low42.8Very low130 Ų130136.2 Ų136.284%0.84476%0.761SS**PPolyproline II helixtrans-72.5127.4177.629.4-33.7000111.5
293S32.6Very low40.6Very low117 Ų117140.4 Ų140.482%0.81878%0.777SS**PPolyproline II helixtrans-77.9162163.954.70000111.6P291P291-S293 PolarHBondContact O-N 3.19Å
294W30.3Very low38.8Very low256 Ų256141.2 Ų141.297%0.9780%0.796SS**PPolyproline II helixtrans-70.9173.9-170.8-106.5-23.7000115.1
295P41Very low37.5Very low106 Ų106138.9 Ų138.969%0.68881%0.806SS**PPolyproline II helixtrans-81.8164.5-140.933.8-38.8000116
296P41.6Very low36.2Very low127 Ų127133.4 Ų133.483%0.82581%0.806SS**PPolyproline II helixtrans-72.8141.1177.130.5-35.8000113.2
297G30.4Very low35.8Very low63 Ų63133.4 Ų133.465%0.64982%0.817SS**PPolyproline II helixtrans-72.5168.516100000112.5
298P43Very low35.6Very low138 Ų138132.8 Ų132.890%0.89682%0.822SS**PPolyproline II helixtrans-69.1153.8-17027.9-35.3000114
299A33.7Very low36.2Very low98 Ų98132 Ų13281%0.8183%0.826SS**PPolyproline II helixtrans-74.4151.7-171.300000114.5
300L33.7Very low35.5Very low170 Ų170130 Ų13089%0.8983%0.828SS**  trans-121.1151.5152.7-80.8177.1000110.8
301Q31.3Very low35.1Very low190 Ų190126.9 Ų126.989%0.88883%0.826SS**  trans-85.3146.2-162.4-53.9153.415.900112.2
302A31.3Very low35.4Very low108 Ų108128 Ų12889%0.89383%0.833SS**  trans-157.9151.3141.200000110.6
303R29.5Very low35.1Very low244 Ų244125.5 Ų125.592%0.92183%0.831SS**  trans-127.4155.1-162.5176.9-175174-180-1.1110.9
304A31.8Very low35.2Very low102 Ų102129.5 Ų129.584%0.84384%0.837SS**  trans75156.8162.100000119.3
305G31.1Very low35.3Very low79 Ų79122 Ų12281%0.81483%0.829SS**  trans124.164.1151.400000118.6
306A30.2Very low35.1Very low98 Ų98123.7 Ų123.781%0.8184%0.838SS**  trans-98.1161.5144.600000108
307P43.6Very low35.3Very low125 Ų125123.1 Ų123.181%0.81283%0.834SS**  cis-134.9-172.215.540-20.5000115.6
308A34.6Very low35.2Very low89 Ų89128.3 Ų128.374%0.73684%0.841SS**  trans-73.2176.3158.100000110.2
309P47.1Very low35Very low135 Ų135130.1 Ų130.188%0.87784%0.837SS**  cis-140.1-176.728.642.8-23.5000116.2
310G29.7Very low35Very low80 Ų80133.4 Ų133.483%0.82584%0.842SS**  trans159.9118.416400000116.1
311A34.5Very low35.5Very low97 Ų97129.3 Ų129.380%0.80283%0.832SS**  trans-142.9167.5160.100000106.6
312P45Very low36Very low136 Ų136127.2 Ų127.288%0.88383%0.827SS**  cis-126.6-167.26.242.9-27.3000113.3
313G31.2Very low36.2Very low77 Ų77129.8 Ų129.879%0.79483%0.826SS**  trans-175.2126.6165.700000112.7
314E35.4Very low36.9Very low202 Ų202124.4 Ų124.494%0.94482%0.815SS**  trans-90.9139.1172.8-68.41719400110.8
315A31.9Very low37.6Very low98 Ų98125.7 Ų125.781%0.8182%0.815SS**  trans-161.8112.3160.600000112.6
316T35.5Very low38.7Very low142 Ų142125.7 Ų125.787%0.87180%0.799SS**  trans-147.8158.4154.6490000107
317P46.9Very low39.6Very low114 Ų114128.1 Ų128.174%0.7480%0.796SS**  cis-121.1-176.22.542.3-29.5000112.9
318Q28Very low39.9Very low172 Ų172130.5 Ų130.580%0.80480%0.801SS**  trans-154.8138139.3-169.667.37.200107.8
319E38.3Very low40.7Very low176 Ų176127.7 Ų127.782%0.82278%0.781SS**  trans-97143172.5-62.2178.3125.400109.8
320D34.1Very low41.2Very low168 Ų168126.6 Ų126.690%0.89876%0.764SS**  trans-141.9137.3155-93.4-48.9000107.2
321A43.5Very low42.9Very low84 Ų84126.5 Ų126.569%0.69475%0.749SS**  trans-110.5-172.6-167.100000113
322D41.8Very low44.7Very low145 Ų145127.3 Ų127.378%0.77574%0.736SS**  trans62.189.3162-56.3-25.6000117.8
323N36.3Very low46.4Very low162 Ų162127.1 Ų127.187%0.86672%0.721SS**  -162158.691.2-106.7-85.8000113.5
324L45.3Very low48.9Very low132 Ų132129.3 Ų129.369%0.69171%0.711SS**  trans-93.6159.5-168.6-12669.6000112.4V326L324-V326 HydrophobicContact CD1-CG2 4.27Å; L324-V326 HydrophobicContact CD2-CB 3.74Å; L324-V326 HydrophobicContact CD2-CG2 3.67Å; L324-V326 HydrophobicContact CG-CB 4.28Å; L324-V326 HydrophobicContact CG-CG2 3.9Å
325P45.6Very low51.3Low129 Ų129125.9 Ų125.984%0.83870%0.695SS**  -133131.982.735.9-24.4000115.3
326V53.9Low54.1Low79 Ų79128.4 Ų128.448%0.47968%0.683SS.*  trans-85.7179.1157.7165.40000108L324L324-V326 HydrophobicContact CD1-CG2 4.27Å; L324-V326 HydrophobicContact CD2-CB 3.74Å; L324-V326 HydrophobicContact CD2-CG2 3.67Å; L324-V326 HydrophobicContact CG-CB 4.28Å; L324-V326 HydrophobicContact CG-CG2 3.9Å
327I50.4Low56.7Low149 Ų149125.2 Ų125.276%0.76466%0.664SS**  trans86.2142.1-175-48.3167.5000111.6
328L48.2Very low58.9Low175 Ų175125.7 Ų125.792%0.91666%0.656SS**SBendtrans70.741-172.8-49.1-176.2000116.6
329G52.8Low61.9Low29 Ų29123 Ų12330%0.29964%0.643SS.*SBendtrans-160.6-3.2171.200000118.3K333G329-K333 VanDerWaalsContact O-CD 3.31Å; G329-K333 WeakPolarHBondContact O-CD 3.33Å; G329-K333 WeakPolarHBondContact O-CE 3.32Å; G329-K333 WeakPolarHBondContact O-CG 3.35Å
330E57Low64.6Low113 Ų113119.6 Ų119.653%0.52863%0.63SS.*SBendtrans-93.3-45.7-174.8-59-167.7127.400115.3E332 K333 E334E330-E332 PolarHBondContact O-N 2.91Å; E330-K333 WeakPolarHBondContact O-CA 3.41Å; E330-K333 WeakPolarHBondContact O-CB 3.21Å; E330-K333 PolarHBondContact O-N 2.97Å; E330-E334 PolarHBondContact O-N 2.99Å
331P65.1Low67.4Low77 Ų77117.1 Ų117.150%0.561%0.613SS.*Hα-helixtrans-63.4-28.7-177.523.6-34.1000113K333 Q335P331-K333 VanDerWaalsContact C-N 3.34Å; P331-Q335 WeakPolarHBondContact O-CB 3.33Å; P331-Q335 VanDerWaalsContact O-CG 3.24Å; P331-Q335 WeakPolarHBondContact O-CG 3.48Å; P331-Q335 PolarHBondContact O-N 3.22Å
332E73.5Confident69.8Low114 Ų114115.1 Ų115.153%0.53359%0.594SS.*Hα-helixtrans-65.2-35.1170.4-80.2-160.2-146.200113.1E330 R336E330-E332 PolarHBondContact O-N 2.91Å; E332-R336 WeakPolarHBondContact O-CB 3.26Å; E332-R336 WeakPolarHBondContact O-CD 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.19Å; E332-R336 PolarHBondContact O-N 3.25Å; E332-R336 VanDerWaalsContact O-N 3.09Å; E332-R336 PolarHBondContact O-NE 3.38Å; E332-R336 IonicContact OE2-CZ 3.73Å; E332-R336 IonicContact OE2-NE 3.42Å; E332-R336 IonicContact OE2-NH2 3.27Å; E332-R336 PolarHBondContact OE2-NH2 2.97Å
333K80.8Confident72.4Confident133 Ų133112 Ų11258%0.57858%0.575SS**Hα-helixtrans-71.2-44177.7-65.1169.4-172.4167.80109.9G329 E330 P331 R336 V337G329-K333 VanDerWaalsContact O-CD 3.31Å; G329-K333 WeakPolarHBondContact O-CD 3.33Å; G329-K333 WeakPolarHBondContact O-CE 3.32Å; G329-K333 WeakPolarHBondContact O-CG 3.35Å; E330-K333 WeakPolarHBondContact O-CA 3.41Å; E330-K333 WeakPolarHBondContact O-CB 3.21Å; E330-K333 PolarHBondContact O-N 2.97Å; P331-K333 VanDerWaalsContact C-N 3.34Å; K333-R336 PolarHBondContact O-N 3Å; K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 3.5Å
334E83.3Confident75.3Confident122 Ų122109 Ų10957%0.5756%0.559SS**Hα-helixtrans-60.5-46.2176-64.4-177.6143.400111.8E330 R336 V337 Q338E330-E334 PolarHBondContact O-N 2.99Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.23Å; E334-V337 PolarHBondContact O-N 3Å; E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 2.96Å
335Q86Confident77.6Confident131 Ų131105.3 Ų105.361%0.61254%0.544SS*.Hα-helixtrans-60.3-41174.9-74174.110.800112.3P331 Q339P331-Q335 WeakPolarHBondContact O-CB 3.33Å; P331-Q335 VanDerWaalsContact O-CG 3.24Å; P331-Q335 WeakPolarHBondContact O-CG 3.48Å; P331-Q335 PolarHBondContact O-N 3.22Å; Q335-Q339 WeakPolarHBondContact O-CB 3.44Å; Q335-Q339 PolarHBondContact O-N 2.89Å
336R90.8Very high80.1Confident150 Ų150105.5 Ų105.557%0.56653%0.531SS*.Hα-helixtrans-65.6-39.7175.2-70.5162.7-164.1-116.69.6111.9E332 K333 E334 Q339 L340E332-R336 WeakPolarHBondContact O-CB 3.26Å; E332-R336 WeakPolarHBondContact O-CD 3.27Å; E332-R336 WeakPolarHBondContact O-CG 3.19Å; E332-R336 PolarHBondContact O-N 3.25Å; E332-R336 VanDerWaalsContact O-N 3.09Å; E332-R336 PolarHBondContact O-NE 3.38Å; E332-R336 IonicContact OE2-CZ 3.73Å; E332-R336 IonicContact OE2-NE 3.42Å; E332-R336 IonicContact OE2-NH2 3.27Å; E332-R336 PolarHBondContact OE2-NH2 2.97Å; K333-R336 PolarHBondContact O-N 3Å; E334-R336 VanDerWaalsContact C-N 3.34Å; E334-R336 PolarHBondContact O-N 3.23Å; R336-Q339 PolarHBondContact O-N 3.03Å; R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.36Å; R336-L340 PolarHBondContact O-N 3.32Å
337V89.9Confident82.1Confident76 Ų76108.2 Ų108.246%0.46154%0.537SS..Hα-helixtrans-63.8-51.5174.8170.10000110.4K333 E334 Q339 L340 E341K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 3.5Å; E334-V337 PolarHBondContact O-N 3Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 2.94Å; V337-L340 CarbonylContact O-C 3.53Å; V337-L340 PolarHBondContact O-N 3.13Å; V337-L340 VanDerWaalsContact O-N 3.08Å; V337-E341 HydrophobicContact CG1-CG 4.27Å; V337-E341 WeakPolarHBondContact O-CG 3.22Å; V337-E341 PolarHBondContact O-N 3.43Å
338Q91.4Very high84.2Confident124 Ų124109.9 Ų109.958%0.57953%0.533SS*.Hα-helixtrans-59.4-37.7177.4-69.4175.916.900112.4E334 S342E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 2.96Å; Q338-S342 WeakPolarHBondContact O-CB 3.41Å; Q338-S342 PolarHBondContact O-N 3.37Å
339Q92.6Very high86.6Confident114 Ų114108.3 Ų108.353%0.53352%0.519SS..Hα-helixtrans-61.4-51.7172.5-178.3-178.8-20.600110.9Q335 R336 V337 E341 S342 E343Q335-Q339 WeakPolarHBondContact O-CB 3.44Å; Q335-Q339 PolarHBondContact O-N 2.89Å; R336-Q339 PolarHBondContact O-N 3.03Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 2.94Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.31Å; Q339-S342 WeakPolarHBondContact O-CA 3.4Å; Q339-S342 WeakPolarHBondContact O-CB 3.37Å; Q339-S342 PolarHBondContact O-N 2.91Å; Q339-S342 VanDerWaalsContact O-N 3.11Å; Q339-S342 PolarHBondContact O-OG 2.97Å; Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 PolarHBondContact O-N 2.9Å
340L93.6Very high88.7Confident105 Ų105113.7 Ų113.755%0.5553%0.534SS..Hα-helixtrans-62.2-37.4-179.9-72.6169.4000112.3R336 V337 E343 L344R336-L340 WeakPolarHBondContact O-CB 3.43Å; R336-L340 VanDerWaalsContact O-CG 3.26Å; R336-L340 WeakPolarHBondContact O-CG 3.36Å; R336-L340 PolarHBondContact O-N 3.32Å; V337-L340 CarbonylContact O-C 3.53Å; V337-L340 PolarHBondContact O-N 3.13Å; V337-L340 VanDerWaalsContact O-N 3.08Å; L340-E343 PolarHBondContact O-N 2.86Å; L340-L344 WeakPolarHBondContact O-CB 3.4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.91Å
341E93.9Very high90.5Very high116 Ų116112.1 Ų112.154%0.54254%0.535SS..Hα-helixtrans-64.4-42.3171.8-72.4178158.400111.6V337 Q339 E343 L344 S345V337-E341 HydrophobicContact CG1-CG 4.27Å; V337-E341 WeakPolarHBondContact O-CG 3.22Å; V337-E341 PolarHBondContact O-N 3.43Å; Q339-E341 VanDerWaalsContact C-N 3.33Å; Q339-E341 PolarHBondContact O-N 3.31Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 2.94Å; E341-L344 PolarHBondContact O-N 3.06Å; E341-S345 WeakPolarHBondContact O-CB 3.26Å; E341-S345 PolarHBondContact O-N 2.77Å
342S94.2Very high92Very high42 Ų42113.8 Ų113.829%0.29454%0.536SS..Hα-helixtrans-61.9-36.8173.792.90000111.6Q338 Q339 K346Q338-S342 WeakPolarHBondContact O-CB 3.41Å; Q338-S342 PolarHBondContact O-N 3.37Å; Q339-S342 WeakPolarHBondContact O-CA 3.4Å; Q339-S342 WeakPolarHBondContact O-CB 3.37Å; Q339-S342 PolarHBondContact O-N 2.91Å; Q339-S342 VanDerWaalsContact O-N 3.11Å; Q339-S342 PolarHBondContact O-OG 2.97Å; S342-K346 WeakPolarHBondContact O-CD 3.2Å; S342-K346 WeakPolarHBondContact O-CE 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 3.27Å; S342-K346 PolarHBondContact OG-NZ 3.49Å
343E96.3Very high93.1Very high79 Ų79111.8 Ų111.837%0.36954%0.535SS..Hα-helixtrans-73.5-44.8177.9-73.2-173.1-143.700111.5Q339 L340 E341 S345 K346 K347Q339-E343 PolarHBondContact NE2-OE1 2.92Å; Q339-E343 PolarHBondContact O-N 2.9Å; L340-E343 PolarHBondContact O-N 2.86Å; E341-E343 VanDerWaalsContact C-N 3.27Å; E341-E343 PolarHBondContact O-N 2.94Å; E343-S345 VanDerWaalsContact C-N 3.29Å; E343-S345 PolarHBondContact O-N 2.95Å; E343-K346 PolarHBondContact O-N 3.42Å; E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.35Å; E343-K347 PolarHBondContact O-N 3.17Å
344L96.4Very high93.8Very high101 Ų101109.1 Ų109.153%0.52953%0.526SS..Hα-helixtrans-59.9-39172.2-74.2170.4000111.7L340 E341 K347 R348L340-L344 WeakPolarHBondContact O-CB 3.4Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.91Å; E341-L344 PolarHBondContact O-N 3.06Å; L344-K347 PolarHBondContact O-N 2.86Å; L344-R348 WeakPolarHBondContact O-CB 3.27Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 2.91Å
345S93.9Very high94.4Very high54 Ų54108 Ų10838%0.37852%0.521SS..Hα-helixtrans-60.1-48.9172.5177.50000111.8E341 E343 K347 R348 K349E341-S345 WeakPolarHBondContact O-CB 3.26Å; E341-S345 PolarHBondContact O-N 2.77Å; E343-S345 VanDerWaalsContact C-N 3.29Å; E343-S345 PolarHBondContact O-N 2.95Å; S345-K347 VanDerWaalsContact C-N 3.34Å; S345-K347 PolarHBondContact O-N 3.32Å; S345-R348 PolarHBondContact O-N 2.88Å; S345-K349 WeakPolarHBondContact O-CG 3.22Å; S345-K349 PolarHBondContact O-N 2.59Å; S345-K349 VanDerWaalsContact O-N 3.12Å
346K97.2Very high95Very high132 Ų132106.4 Ų106.457%0.57451%0.514SS*.Hα-helixtrans-61.1-40174.8-67.3154.7-165.3156.80111.8S342 E343 K350S342-K346 WeakPolarHBondContact O-CD 3.2Å; S342-K346 WeakPolarHBondContact O-CE 3.38Å; S342-K346 WeakPolarHBondContact O-CG 3.46Å; S342-K346 PolarHBondContact O-N 3.27Å; S342-K346 PolarHBondContact OG-NZ 3.49Å; E343-K346 PolarHBondContact O-N 3.42Å; K346-K350 PolarHBondContact O-N 2.89Å; K346-K350 VanDerWaalsContact O-N 3.1Å
347K96.3Very high95.2Very high137 Ų137102.2 Ų102.260%0.59650%0.501SS*.Hα-helixtrans-68.2-45.9178.2-65.1-79.7-179.1172.10111.7E343 L344 S345 K349 K350 C351E343-K347 WeakPolarHBondContact O-CB 3.47Å; E343-K347 WeakPolarHBondContact O-CG 3.35Å; E343-K347 PolarHBondContact O-N 3.17Å; L344-K347 PolarHBondContact O-N 2.86Å; S345-K347 VanDerWaalsContact C-N 3.34Å; S345-K347 PolarHBondContact O-N 3.32Å; K347-K349 PolarHBondContact O-N 2.74Å; K347-K350 PolarHBondContact O-N 3Å; K347-K350 VanDerWaalsContact O-N 3.1Å; K347-C351 PolarHBondContact O-N 2.81Å; K347-C351 PolarHBondContact O-SG 2.79Å; K347-C351 VanDerWaalsContact O-SG 3.35Å
348R95.8Very high95.6Very high184 Ų184101.2 Ų101.269%0.69450%0.5SS*.Hα-helixtrans-55.7-49.1175.7-75.7173.6-173.7-85.64.3111.3L344 S345 K350 C351 E352L344-R348 WeakPolarHBondContact O-CB 3.27Å; L344-R348 VanDerWaalsContact O-CG 3.27Å; L344-R348 WeakPolarHBondContact O-CG 3.48Å; L344-R348 PolarHBondContact O-N 2.91Å; S345-R348 PolarHBondContact O-N 2.88Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 2.96Å; R348-C351 WeakPolarHBondContact O-CB 3.49Å; R348-C351 PolarHBondContact O-N 2.98Å; R348-C351 VanDerWaalsContact O-N 3.14Å; R348-E352 PolarHBondContact O-N 3.18Å
349K97.6Very high95.8Very high142 Ų142102.1 Ų102.162%0.61750%0.498SS*.Hα-helixtrans-60.9-36.7175.7-68.8-179.8-179.8-174.10112.9S345 K347 S353S345-K349 WeakPolarHBondContact O-CG 3.22Å; S345-K349 PolarHBondContact O-N 2.59Å; S345-K349 VanDerWaalsContact O-N 3.12Å; K347-K349 PolarHBondContact O-N 2.74Å; K349-S353 WeakPolarHBondContact O-CB 3.4Å; K349-S353 PolarHBondContact O-N 3.42Å
350K97.4Very high96.1Very high141 Ų141103.7 Ų103.761%0.61350%0.503SS*.Hα-helixtrans-67.6-41.8173.2-171.1174.2-177.7-1790112.1K346 K347 R348 S353 L354K346-K350 PolarHBondContact O-N 2.89Å; K346-K350 VanDerWaalsContact O-N 3.1Å; K347-K350 PolarHBondContact O-N 3Å; K347-K350 VanDerWaalsContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 2.96Å; K350-S353 PolarHBondContact O-N 2.92Å; K350-L354 HydrophobicContact CG-CD1 4.13Å; K350-L354 HydrophobicContact CG-CG 4.47Å; K350-L354 WeakPolarHBondContact O-CG 3.33Å; K350-L354 PolarHBondContact O-N 2.81Å
351C93.6Very high96.2Very high81 Ų81102.5 Ų102.555%0.54749%0.494SS..Hα-helixtrans-61.9-45.2176.2-67.70000111.6K347 R348 S353 L354 E355K347-C351 PolarHBondContact O-N 2.81Å; K347-C351 PolarHBondContact O-SG 2.79Å; K347-C351 VanDerWaalsContact O-SG 3.35Å; R348-C351 WeakPolarHBondContact O-CB 3.49Å; R348-C351 PolarHBondContact O-N 2.98Å; R348-C351 VanDerWaalsContact O-N 3.14Å; C351-S353 PolarHBondContact O-N 3.03Å; C351-L354 PolarHBondContact O-N 3.21Å; C351-E355 WeakPolarHBondContact O-CB 3.23Å; C351-E355 PolarHBondContact O-N 3.31Å
352E97.5Very high96.4Very high111 Ų111102.3 Ų102.352%0.51949%0.493SS..Hα-helixtrans-59.6-44175.7-175.6179.8-171.400112R348 L354 E355 Q356R348-E352 PolarHBondContact O-N 3.18Å; E352-L354 PolarHBondContact O-N 2.98Å; E352-E355 PolarHBondContact O-N 3.21Å; E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.05Å
353S96.5Very high96.5Very high73 Ų73109 Ų10951%0.5151%0.512SS..Hα-helixtrans-62.1-40.5174.7-173.90000112.8K349 K350 C351 E357K349-S353 WeakPolarHBondContact O-CB 3.4Å; K349-S353 PolarHBondContact O-N 3.42Å; K350-S353 PolarHBondContact O-N 2.92Å; C351-S353 PolarHBondContact O-N 3.03Å; S353-E357 PolarHBondContact O-N 3.46Å
354L96Very high96.6Very high76 Ų76112.3 Ų112.340%0.39852%0.521SS..Hα-helixtrans-70.6-33.7177.1-72.5170.1000111.8K350 C351 E352 E357 A358K350-L354 HydrophobicContact CG-CD1 4.13Å; K350-L354 HydrophobicContact CG-CG 4.47Å; K350-L354 WeakPolarHBondContact O-CG 3.33Å; K350-L354 PolarHBondContact O-N 2.81Å; C351-L354 PolarHBondContact O-N 3.21Å; E352-L354 PolarHBondContact O-N 2.98Å; L354-E357 PolarHBondContact O-N 3.17Å; L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 3.29Å
355E95.9Very high96.4Very high99 Ų99110.8 Ų110.846%0.46352%0.518SS..Hα-helixtrans-68.1-40.8174.6-164-172168.100111.3C351 E352 E357 A358 R359C351-E355 WeakPolarHBondContact O-CB 3.23Å; C351-E355 PolarHBondContact O-N 3.31Å; E352-E355 PolarHBondContact O-N 3.21Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.05Å; E355-A358 PolarHBondContact O-N 3.46Å; E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 VanDerWaalsContact O-CG 3.23Å; E355-R359 WeakPolarHBondContact O-CG 3.42Å; E355-R359 PolarHBondContact O-N 2.95Å; E355-R359 IonicContact OE1-CZ 3.75Å; E355-R359 VanDerWaalsContact OE1-CZ 3.26Å; E355-R359 IonicContact OE1-NE 2.74Å; E355-R359 PolarHBondContact OE1-NE 3.16Å; E355-R359 VanDerWaalsContact OE1-NE 3.15Å; E355-R359 IonicContact OE1-NH2 3.18Å; E355-R359 PolarHBondContact OE1-NH2 3.16Å
356Q97.2Very high96.6Very high98 Ų98112.8 Ų112.846%0.45852%0.521SS..Hα-helixtrans-62.9-36.4171.6-69.6-178.326.500112.2E352 K360E352-Q356 WeakPolarHBondContact O-CG 3.43Å; E352-Q356 PolarHBondContact O-N 3.05Å; Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.15Å; Q356-K360 PolarHBondContact O-N 2.86Å; Q356-K360 VanDerWaalsContact O-N 3.12Å
357E96.6Very high96.6Very high62 Ų62112 Ų11229%0.2952%0.52SS..Hα-helixtrans-67.6-44173.8-165.3-171.5144.800111.8S353 L354 E355 K360 K361S353-E357 PolarHBondContact O-N 3.46Å; L354-E357 PolarHBondContact O-N 3.17Å; E355-E357 VanDerWaalsContact C-N 3.31Å; E355-E357 PolarHBondContact O-N 3.05Å; E357-K360 WeakPolarHBondContact O-CB 3.44Å; E357-K360 PolarHBondContact O-N 2.77Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 2.85Å; E357-K361 WeakPolarHBondContact OE1-CE 3.36Å; E357-K361 IonicContact OE1-NZ 2.75Å; E357-K361 PolarHBondContact OE1-NZ 3.35Å
358A96.8Very high96.6Very high54 Ų54109.8 Ų109.845%0.44651%0.514SS..Hα-helixtrans-61.2-46.217600000111.7L354 E355 K360 K361 Q362L354-A358 WeakPolarHBondContact O-CB 3.49Å; L354-A358 PolarHBondContact O-N 3.29Å; E355-A358 PolarHBondContact O-N 3.46Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.03Å; A358-K361 PolarHBondContact O-N 2.84Å; A358-Q362 WeakPolarHBondContact O-CB 3.33Å; A358-Q362 PolarHBondContact O-N 2.93Å
359R97.6Very high96.7Very high144 Ų144105.4 Ų105.454%0.54350%0.501SS..Hα-helixtrans-61.4-32.8175.1-69.9169.4-178.7-154.14.8112.6E355 R363E355-R359 WeakPolarHBondContact O-CB 3.38Å; E355-R359 VanDerWaalsContact O-CG 3.23Å; E355-R359 WeakPolarHBondContact O-CG 3.42Å; E355-R359 PolarHBondContact O-N 2.95Å; E355-R359 IonicContact OE1-CZ 3.75Å; E355-R359 VanDerWaalsContact OE1-CZ 3.26Å; E355-R359 IonicContact OE1-NE 2.74Å; E355-R359 PolarHBondContact OE1-NE 3.16Å; E355-R359 VanDerWaalsContact OE1-NE 3.15Å; E355-R359 IonicContact OE1-NH2 3.18Å; E355-R359 PolarHBondContact OE1-NH2 3.16Å; R359-R363 WeakPolarHBondContact O-CG 3.23Å; R359-R363 PolarHBondContact O-N 2.97Å
360K97.8Very high96.7Very high147 Ų147104.1 Ų104.164%0.63950%0.5SS*.Hα-helixtrans-71-44.5172.8-75169-177.1176.50112Q356 E357 A358 R363 R364Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.15Å; Q356-K360 PolarHBondContact O-N 2.86Å; Q356-K360 VanDerWaalsContact O-N 3.12Å; E357-K360 WeakPolarHBondContact O-CB 3.44Å; E357-K360 PolarHBondContact O-N 2.77Å; A358-K360 VanDerWaalsContact C-N 3.28Å; A358-K360 PolarHBondContact O-N 3.03Å; K360-R363 PolarHBondContact O-N 3.41Å; K360-R364 PolarHBondContact O-N 3.14Å
361K96.1Very high96.7Very high80 Ų80102.4 Ų102.435%0.34850%0.495SS..Hα-helixtrans-61.1-44.8175.4-72.2175.8-176.1168.20111.3E357 A358 R363 R364 C365E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 2.85Å; E357-K361 WeakPolarHBondContact OE1-CE 3.36Å; E357-K361 IonicContact OE1-NZ 2.75Å; E357-K361 PolarHBondContact OE1-NZ 3.35Å; A358-K361 PolarHBondContact O-N 2.84Å; K361-R363 PolarHBondContact O-N 2.78Å; K361-R364 WeakPolarHBondContact O-CB 3.36Å; K361-R364 PolarHBondContact O-N 2.8Å; K361-R364 VanDerWaalsContact O-N 3.13Å; K361-C365 PolarHBondContact O-N 3.39Å; K361-C365 PolarHBondContact O-SG 2.6Å
362Q97.1Very high96.8Very high112 Ų112103.4 Ų103.452%0.52349%0.494SS..Hα-helixtrans-55.2-50.4176.5-178.9-178-20.300111.9A358 R364 C365 E366A358-Q362 WeakPolarHBondContact O-CB 3.33Å; A358-Q362 PolarHBondContact O-N 2.93Å; Q362-R364 VanDerWaalsContact C-N 3.28Å; Q362-R364 PolarHBondContact O-N 2.91Å; Q362-C365 WeakPolarHBondContact O-CA 3.43Å; Q362-C365 WeakPolarHBondContact O-CB 3.45Å; Q362-C365 PolarHBondContact O-N 3.34Å; Q362-E366 HydrophobicContact CG-CG 4.46Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.42Å; Q362-E366 PolarHBondContact O-N 3.03Å
363R98.1Very high96.8Very high183 Ų183104.3 Ų104.369%0.69149%0.492SS*.Hα-helixtrans-59.6-37.4177.3-71.9177.5-176.9-167.3-0.7113R359 K360 K361 C365 E366 E367R359-R363 WeakPolarHBondContact O-CG 3.23Å; R359-R363 PolarHBondContact O-N 2.97Å; K360-R363 PolarHBondContact O-N 3.41Å; K361-R363 PolarHBondContact O-N 2.78Å; R363-C365 VanDerWaalsContact C-N 3.35Å; R363-E366 PolarHBondContact O-N 3.07Å; R363-E367 WeakPolarHBondContact O-CB 3.32Å; R363-E367 PolarHBondContact O-N 3.06Å
364R97.3Very high96.9Very high147 Ų147106.1 Ų106.156%0.55549%0.493SS*.Hα-helixtrans-66.9-35.7174.6-167.6-180-177.6-163.6-0.2111.7K360 K361 Q362 L368K360-R364 PolarHBondContact O-N 3.14Å; K361-R364 WeakPolarHBondContact O-CB 3.36Å; K361-R364 PolarHBondContact O-N 2.8Å; K361-R364 VanDerWaalsContact O-N 3.13Å; Q362-R364 VanDerWaalsContact C-N 3.28Å; Q362-R364 PolarHBondContact O-N 2.91Å; R364-L368 HydrophobicContact CG-CD1 4.19Å; R364-L368 WeakPolarHBondContact O-CB 3.45Å; R364-L368 WeakPolarHBondContact O-CD1 3.38Å; R364-L368 WeakPolarHBondContact O-CG 3.4Å; R364-L368 PolarHBondContact O-N 3.39Å
365C92.5Very high96.8Very high70 Ų70104.5 Ų104.547%0.47349%0.49SS..Hα-helixtrans-66.1-45.3171.7-61.20000111.5K361 Q362 R363 E367 L368 E369K361-C365 PolarHBondContact O-N 3.39Å; K361-C365 PolarHBondContact O-SG 2.6Å; Q362-C365 WeakPolarHBondContact O-CA 3.43Å; Q362-C365 WeakPolarHBondContact O-CB 3.45Å; Q362-C365 PolarHBondContact O-N 3.34Å; R363-C365 VanDerWaalsContact C-N 3.35Å; C365-E367 VanDerWaalsContact C-N 3.29Å; C365-E367 PolarHBondContact O-N 3.02Å; C365-L368 PolarHBondContact O-N 3.34Å; C365-E369 WeakPolarHBondContact O-CB 3.47Å; C365-E369 WeakPolarHBondContact O-CG 3.2Å; C365-E369 PolarHBondContact O-N 2.77Å
366E97.6Very high96.8Very high96 Ų96104.8 Ų104.845%0.44949%0.492SS..Hα-helixtrans-59.8-38.4177.1-69164176.200112Q362 R363 L370Q362-E366 HydrophobicContact CG-CG 4.46Å; Q362-E366 WeakPolarHBondContact CG-OE1 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 3.22Å; Q362-E366 WeakPolarHBondContact O-CG 3.42Å; Q362-E366 PolarHBondContact O-N 3.03Å; R363-E366 PolarHBondContact O-N 3.07Å; E366-L370 PolarHBondContact O-N 2.94Å; E366-L370 VanDerWaalsContact O-N 3.16Å
367E97.9Very high96.8Very high116 Ų116105.7 Ų105.754%0.54250%0.5SS..Hα-helixtrans-68.8-44174.3-176.8171.2-15000112.6R363 C365 L370 Q371R363-E367 WeakPolarHBondContact O-CB 3.32Å; R363-E367 PolarHBondContact O-N 3.06Å; C365-E367 VanDerWaalsContact C-N 3.29Å; C365-E367 PolarHBondContact O-N 3.02Å; E367-L370 WeakPolarHBondContact O-CB 3.3Å; E367-L370 PolarHBondContact O-N 3.3Å; E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.05Å
368L96.6Very high96.8Very high89 Ų89107 Ų10747%0.46651%0.506SS..Hα-helixtrans-67.4-34.8175.9-71.9168.3000112.4R364 C365 L370 Q371 L372R364-L368 HydrophobicContact CG-CD1 4.19Å; R364-L368 WeakPolarHBondContact O-CB 3.45Å; R364-L368 WeakPolarHBondContact O-CD1 3.38Å; R364-L368 WeakPolarHBondContact O-CG 3.4Å; R364-L368 PolarHBondContact O-N 3.39Å; C365-L368 PolarHBondContact O-N 3.34Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L368-Q371 PolarHBondContact O-N 2.88Å; L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.01Å
369E96.4Very high96.7Very high93 Ų93109.2 Ų109.244%0.43551%0.51SS..Hα-helixtrans-62.6-39170.9-82.2-174.2-143.600112C365 R373C365-E369 WeakPolarHBondContact O-CB 3.47Å; C365-E369 WeakPolarHBondContact O-CG 3.2Å; C365-E369 PolarHBondContact O-N 2.77Å; E369-R373 VanDerWaalsContact O-CG 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.49Å; E369-R373 PolarHBondContact O-N 3.44Å; E369-R373 IonicContact OE2-CZ 3.57Å; E369-R373 IonicContact OE2-NH1 3.42Å; E369-R373 IonicContact OE2-NH2 2.67Å; E369-R373 PolarHBondContact OE2-NH2 2.99Å
370L98Very high96.6Very high115 Ų115105.2 Ų105.260%0.60251%0.508SS*.Hα-helixtrans-67.6-44.3176.6-175.463.5000111.3E366 E367 L368 R373 Q374E366-L370 PolarHBondContact O-N 2.94Å; E366-L370 VanDerWaalsContact O-N 3.16Å; E367-L370 WeakPolarHBondContact O-CB 3.3Å; E367-L370 PolarHBondContact O-N 3.3Å; L368-L370 VanDerWaalsContact C-N 3.33Å; L370-R373 PolarHBondContact O-N 3.23Å; L370-Q374 PolarHBondContact O-N 3.16Å
371Q97.4Very high96.6Very high105 Ų105105.2 Ų105.249%0.49150%0.504SS..Hα-helixtrans-61.4-42.7174.9-70.4175.55.100111.7E367 L368 R373 Q374 A375E367-Q371 WeakPolarHBondContact O-CG 3.44Å; E367-Q371 PolarHBondContact O-N 3.05Å; L368-Q371 PolarHBondContact O-N 2.88Å; Q371-R373 PolarHBondContact O-N 3.49Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q371-A375 PolarHBondContact O-N 2.92Å
372L96.9Very high96.7Very high101 Ų101105.6 Ų105.653%0.52951%0.509SS..Hα-helixtrans-62.1-42.5175.7179.960.7000111.9L368 A375 Q376L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.01Å; L372-A375 PolarHBondContact O-N 3.02Å; L372-Q376 HydrophobicContact CD1-CG 4.48Å; L372-Q376 WeakPolarHBondContact O-CB 3.39Å; L372-Q376 VanDerWaalsContact O-CG 3.23Å; L372-Q376 WeakPolarHBondContact O-CG 3.23Å; L372-Q376 PolarHBondContact O-N 3.29Å
373R97Very high96.7Very high130 Ų130105.2 Ų105.249%0.49151%0.514SS..Hα-helixtrans-64.6-37.8174.8-73.3174.2-169.8135.817.1112.2E369 L370 Q371 Q376 N377E369-R373 VanDerWaalsContact O-CG 3.31Å; E369-R373 WeakPolarHBondContact O-CG 3.49Å; E369-R373 PolarHBondContact O-N 3.44Å; E369-R373 IonicContact OE2-CZ 3.57Å; E369-R373 IonicContact OE2-NH1 3.42Å; E369-R373 IonicContact OE2-NH2 2.67Å; E369-R373 PolarHBondContact OE2-NH2 2.99Å; L370-R373 PolarHBondContact O-N 3.23Å; Q371-R373 PolarHBondContact O-N 3.49Å; R373-Q376 PolarHBondContact O-N 2.81Å; R373-N377 VanDerWaalsContact O-CG 3.24Å; R373-N377 PolarHBondContact O-N 2.76Å; R373-N377 PolarHBondContact O-ND2 3.5Å
374Q97.8Very high96.7Very high111 Ų111103.5 Ų103.552%0.51951%0.514SS..Hα-helixtrans-63.7-49.9174.1-179.2174.8-17.600111.1L370 Q371 Q376 N377 E378L370-Q374 PolarHBondContact O-N 3.16Å; Q371-Q374 PolarHBondContact O-N 3.3Å; Q374-Q376 VanDerWaalsContact C-N 3.28Å; Q374-Q376 PolarHBondContact O-N 3.01Å; Q374-N377 PolarHBondContact O-N 3.47Å; Q374-N377 VanDerWaalsContact O-N 3.09Å; Q374-E378 HydrophobicContact CG-CG 4.48Å; Q374-E378 VanDerWaalsContact CG-OE1 3.28Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.43Å; Q374-E378 PolarHBondContact NE2-OE1 2.74Å; Q374-E378 WeakPolarHBondContact O-CG 2.95Å; Q374-E378 PolarHBondContact O-N 2.72Å
375A95Very high96.7Very high42 Ų4299.7 Ų99.735%0.34750%0.503SS..Hα-helixtrans-60.6-35.9177.300000112.6Q371 L372 E378 N379Q371-A375 PolarHBondContact O-N 2.92Å; L372-A375 PolarHBondContact O-N 3.02Å; A375-E378 PolarHBondContact O-N 3.48Å; A375-N379 VanDerWaalsContact O-CB 3.29Å; A375-N379 WeakPolarHBondContact O-CB 3.25Å; A375-N379 VanDerWaalsContact O-CG 3.28Å; A375-N379 PolarHBondContact O-N 2.75Å; A375-N379 PolarHBondContact O-ND2 2.93Å; A375-N379 VanDerWaalsContact O-ND2 3.14Å
376Q95.4Very high96.8Very high106 Ų106101.6 Ų101.650%0.49551%0.508SS..Hα-helixtrans-63.3-43.3172.7-76.5169.6-11.700112.3L372 R373 Q374 A380L372-Q376 HydrophobicContact CD1-CG 4.48Å; L372-Q376 WeakPolarHBondContact O-CB 3.39Å; L372-Q376 VanDerWaalsContact O-CG 3.23Å; L372-Q376 WeakPolarHBondContact O-CG 3.23Å; L372-Q376 PolarHBondContact O-N 3.29Å; R373-Q376 PolarHBondContact O-N 2.81Å; Q374-Q376 VanDerWaalsContact C-N 3.28Å; Q374-Q376 PolarHBondContact O-N 3.01Å; Q376-A380 WeakPolarHBondContact O-CB 3.49Å; Q376-A380 PolarHBondContact O-N 3.17Å
377N96.8Very high96.8Very high117 Ų117101 Ų10163%0.62652%0.515SS*.Hα-helixtrans-67.6-38.8176.9-67.9-26000112.3R373 Q374 A380 R381R373-N377 VanDerWaalsContact O-CG 3.24Å; R373-N377 PolarHBondContact O-N 2.76Å; R373-N377 PolarHBondContact O-ND2 3.5Å; Q374-N377 PolarHBondContact O-N 3.47Å; Q374-N377 VanDerWaalsContact O-N 3.09Å; N377-A380 PolarHBondContact O-N 2.88Å; N377-R381 PolarHBondContact O-N 3Å; N377-R381 VanDerWaalsContact O-N 3.08Å
378E97.8Very high96.8Very high89 Ų89102.6 Ų102.642%0.41652%0.516SS..Hα-helixtrans-67.5-43.5176.7-72.6172.9-170.500111.3Q374 A375 A380 R381 L382Q374-E378 HydrophobicContact CG-CG 4.48Å; Q374-E378 VanDerWaalsContact CG-OE1 3.28Å; Q374-E378 WeakPolarHBondContact CG-OE1 3.43Å; Q374-E378 PolarHBondContact NE2-OE1 2.74Å; Q374-E378 WeakPolarHBondContact O-CG 2.95Å; Q374-E378 PolarHBondContact O-N 2.72Å; A375-E378 PolarHBondContact O-N 3.48Å; E378-A380 PolarHBondContact O-N 3.47Å; E378-R381 PolarHBondContact O-N 3Å; E378-L382 WeakPolarHBondContact O-CG 3.33Å; E378-L382 PolarHBondContact O-N 2.73Å
379N92.9Very high96.9Very high100 Ų100102.4 Ų102.454%0.53552%0.515SS..Hα-helixtrans-60.4-41.3171.8-78.2-33.6000112.4A375 R381 L382 V383A375-N379 VanDerWaalsContact O-CB 3.29Å; A375-N379 WeakPolarHBondContact O-CB 3.25Å; A375-N379 VanDerWaalsContact O-CG 3.28Å; A375-N379 PolarHBondContact O-N 2.75Å; A375-N379 PolarHBondContact O-ND2 2.93Å; A375-N379 VanDerWaalsContact O-ND2 3.14Å; N379-R381 VanDerWaalsContact C-N 3.34Å; N379-R381 PolarHBondContact O-N 3.11Å; N379-L382 PolarHBondContact O-N 2.85Å; N379-V383 WeakPolarHBondContact O-CG2 3.48Å; N379-V383 PolarHBondContact O-N 3.18Å
380A97.3Very high96.8Very high60 Ų60101.1 Ų101.150%0.49652%0.516SS..Hα-helixtrans-60.5-42.7175.600000112Q376 N377 E378 V383 E384Q376-A380 WeakPolarHBondContact O-CB 3.49Å; Q376-A380 PolarHBondContact O-N 3.17Å; N377-A380 PolarHBondContact O-N 2.88Å; E378-A380 PolarHBondContact O-N 3.47Å; A380-V383 PolarHBondContact O-N 3.48Å; A380-E384 PolarHBondContact O-N 2.76Å; A380-E384 VanDerWaalsContact O-N 3.15Å
381R97.8Very high96.8Very high148 Ų14897 Ų9756%0.55850%0.501SS*.Hα-helixtrans-63.9-40.7174.9-161-163.182.1-147.41.8112.2N377 E378 N379 E384 E385N377-R381 PolarHBondContact O-N 3Å; N377-R381 VanDerWaalsContact O-N 3.08Å; E378-R381 PolarHBondContact O-N 3Å; N379-R381 VanDerWaalsContact C-N 3.34Å; N379-R381 PolarHBondContact O-N 3.11Å; R381-E384 PolarHBondContact O-N 2.67Å; R381-E385 WeakPolarHBondContact O-CB 3.31Å; R381-E385 PolarHBondContact O-N 3.33Å
382L96.8Very high96.8Very high87 Ų8799.4 Ų99.446%0.45551%0.506SS..Hα-helixtrans-67.4-34.7177.6-71.1171.1000112.2E378 N379 E385 N386E378-L382 WeakPolarHBondContact O-CG 3.33Å; E378-L382 PolarHBondContact O-N 2.73Å; N379-L382 PolarHBondContact O-N 2.85Å; L382-E385 PolarHBondContact O-N 3.36Å; L382-N386 WeakPolarHBondContact O-CB 3.47Å; L382-N386 PolarHBondContact O-N 3.5Å
383V97.3Very high96.8Very high104 Ų10496.6 Ų96.663%0.6350%0.497SS*.Hα-helixtrans-66.1-42.3173.7168.40000111.5N379 A380 N386 S387N379-V383 WeakPolarHBondContact O-CG2 3.48Å; N379-V383 PolarHBondContact O-N 3.18Å; A380-V383 PolarHBondContact O-N 3.48Å; V383-N386 PolarHBondContact O-N 3.41Å; V383-S387 WeakPolarHBondContact O-CB 3.49Å; V383-S387 PolarHBondContact O-N 3.42Å
384E97.4Very high96.8Very high147 Ų14794.1 Ų94.169%0.68750%0.497SS*.Hα-helixtrans-64-43174.4-174.5176.4-159.700111.7A380 R381 S387 R388A380-E384 PolarHBondContact O-N 2.76Å; A380-E384 VanDerWaalsContact O-N 3.15Å; R381-E384 PolarHBondContact O-N 2.67Å; E384-S387 PolarHBondContact O-N 3.44Å; E384-R388 PolarHBondContact O-N 2.86Å
385E97.8Very high96.8Very high67 Ų6794.5 Ų94.531%0.31350%0.499SS..Hα-helixtrans-65.7-40.3176.4179.5148.9-132.800112.7R381 L382 R388 L389R381-E385 WeakPolarHBondContact O-CB 3.31Å; R381-E385 PolarHBondContact O-N 3.33Å; L382-E385 PolarHBondContact O-N 3.36Å; E385-R388 WeakPolarHBondContact O-CB 3.35Å; E385-R388 PolarHBondContact O-N 2.87Å; E385-R388 IonicContact OE1-CZ 3.26Å; E385-R388 IonicContact OE1-NH2 2.64Å; E385-R388 PolarHBondContact OE1-NH2 3.34Å; E385-L389 HydrophobicContact CG-CD1 4.18Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.92Å
386N95.3Very high96.9Very high110 Ų11098.1 Ų98.159%0.58851%0.506SS*.Hα-helixtrans-66.3-42.2175.8-166.5-23.8000111L382 V383 R388 L389 S390L382-N386 WeakPolarHBondContact O-CB 3.47Å; L382-N386 PolarHBondContact O-N 3.5Å; V383-N386 PolarHBondContact O-N 3.41Å; N386-R388 VanDerWaalsContact C-N 3.32Å; N386-R388 PolarHBondContact O-N 2.86Å; N386-L389 PolarHBondContact O-N 2.72Å; N386-L389 VanDerWaalsContact O-N 3.14Å; N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 3.27Å
387S97.7Very high97Very high85 Ų8598.9 Ų98.959%0.59451%0.51SS*.Hα-helixtrans-57.1-43.6171.8-178.60000112.3V383 E384 S390 G391V383-S387 WeakPolarHBondContact O-CB 3.49Å; V383-S387 PolarHBondContact O-N 3.42Å; E384-S387 PolarHBondContact O-N 3.44Å; S387-S390 PolarHBondContact O-N 2.73Å; S387-G391 PolarHBondContact O-N 2.93Å
388R97.9Very high97.1Very high149 Ų14998.8 Ų98.856%0.56251%0.506SS*.Hα-helixtrans-64.4-38.5174.9-176.4-174.967.1171.9-0.2112.9E384 E385 N386 R392E384-R388 PolarHBondContact O-N 2.86Å; E385-R388 WeakPolarHBondContact O-CB 3.35Å; E385-R388 PolarHBondContact O-N 2.87Å; E385-R388 IonicContact OE1-CZ 3.26Å; E385-R388 IonicContact OE1-NH2 2.64Å; E385-R388 PolarHBondContact OE1-NH2 3.34Å; N386-R388 VanDerWaalsContact C-N 3.32Å; N386-R388 PolarHBondContact O-N 2.86Å; R388-R392 WeakPolarHBondContact O-CG 3.39Å; R388-R392 PolarHBondContact O-N 3.35Å
389L97.6Very high97.1Very high84 Ų8498.7 Ų98.744%0.4451%0.511SS..Hα-helixtrans-71.7-39177.5-71.4171.4000112E385 N386 R392 A393E385-L389 HydrophobicContact CG-CD1 4.18Å; E385-L389 VanDerWaalsContact O-CG 3.32Å; E385-L389 WeakPolarHBondContact O-CG 3.44Å; E385-L389 PolarHBondContact O-N 2.92Å; N386-L389 PolarHBondContact O-N 2.72Å; N386-L389 VanDerWaalsContact O-N 3.14Å; L389-R392 PolarHBondContact O-N 2.88Å; L389-A393 PolarHBondContact O-N 2.95Å
390S95.4Very high97.3Very high67 Ų6798.5 Ų98.547%0.46951%0.507SS..Hα-helixtrans-60.8-44.2172.8173.60000111.6N386 S387 R392 A393 T394N386-S390 WeakPolarHBondContact O-CB 3.43Å; N386-S390 PolarHBondContact O-N 3.27Å; S387-S390 PolarHBondContact O-N 2.73Å; S390-R392 PolarHBondContact O-N 2.89Å; S390-A393 WeakPolarHBondContact O-CB 3.36Å; S390-A393 PolarHBondContact O-N 2.88Å; S390-A393 VanDerWaalsContact O-N 3.14Å; S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 VanDerWaalsContact O-N 3.07Å
391G97.6Very high97.4Very high28 Ų28103.9 Ų103.929%0.28952%0.515SS..Hα-helixtrans-56-49.6171.600000112.4S387 A393 T394 E395S387-G391 PolarHBondContact O-N 2.93Å; G391-A393 VanDerWaalsContact C-N 3.26Å; G391-A393 PolarHBondContact O-N 3.04Å; G391-T394 PolarHBondContact O-N 2.9Å; G391-T394 VanDerWaalsContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.93Å; G391-E395 WeakPolarHBondContact O-CG 3.33Å; G391-E395 PolarHBondContact O-N 3.45Å
392R97.6Very high97.4Very high156 Ų156100.8 Ų100.859%0.58951%0.506SS*.Hα-helixtrans-63.8-25.5176.7-70.8-177.666.4-135.6-6.5114.4R388 L389 S390 K396R388-R392 WeakPolarHBondContact O-CG 3.39Å; R388-R392 PolarHBondContact O-N 3.35Å; L389-R392 PolarHBondContact O-N 2.88Å; S390-R392 PolarHBondContact O-N 2.89Å; R392-K396 WeakPolarHBondContact O-CB 3.47Å; R392-K396 PolarHBondContact O-N 2.71Å; R392-K396 VanDerWaalsContact O-N 3.16Å
393A96.6Very high97.4Very high42 Ų42100 Ų10035%0.34750%0.502SS..Hα-helixtrans-69.9-46.9171.300000110.6L389 S390 G391 E395 K396 E397L389-A393 PolarHBondContact O-N 2.95Å; S390-A393 WeakPolarHBondContact O-CB 3.36Å; S390-A393 PolarHBondContact O-N 2.88Å; S390-A393 VanDerWaalsContact O-N 3.14Å; G391-A393 VanDerWaalsContact C-N 3.26Å; G391-A393 PolarHBondContact O-N 3.04Å; A393-E395 VanDerWaalsContact C-N 3.34Å; A393-E395 PolarHBondContact O-N 3.12Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 3.49Å; A393-K396 VanDerWaalsContact O-N 3.09Å; A393-E397 WeakPolarHBondContact O-CG 3.3Å; A393-E397 PolarHBondContact O-N 2.91Å
394T96.9Very high97.5Very high78 Ų7897.9 Ų97.948%0.47950%0.496SS..Hα-helixtrans-64.8-34.3176.158.70000113.2S390 G391 E397 Q398S390-T394 PolarHBondContact O-N 2.86Å; S390-T394 VanDerWaalsContact O-N 3.07Å; G391-T394 PolarHBondContact O-N 2.9Å; G391-T394 VanDerWaalsContact O-N 3.11Å; G391-T394 PolarHBondContact O-OG1 2.93Å; T394-E397 PolarHBondContact O-N 3.09Å; T394-Q398 PolarHBondContact O-N 3.32Å
395E97.5Very high97.5Very high119 Ų11995.1 Ų95.156%0.55648%0.483SS*.Hα-helixtrans-62.2-41.7170.8-70.7172.4167.200111.6G391 A393 V399G391-E395 WeakPolarHBondContact O-CG 3.33Å; G391-E395 PolarHBondContact O-N 3.45Å; A393-E395 VanDerWaalsContact C-N 3.34Å; A393-E395 PolarHBondContact O-N 3.12Å; E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 2.67Å
396K97.8Very high97.5Very high117 Ų11797 Ų9751%0.50950%0.495SS..Hα-helixtrans-65.8-45.3176.7175.4-176.8171.2-67.30111.5R392 A393 Q398 V399 E400R392-K396 WeakPolarHBondContact O-CB 3.47Å; R392-K396 PolarHBondContact O-N 2.71Å; R392-K396 VanDerWaalsContact O-N 3.16Å; A393-K396 WeakPolarHBondContact O-CB 3.44Å; A393-K396 PolarHBondContact O-N 3.49Å; A393-K396 VanDerWaalsContact O-N 3.09Å; K396-Q398 VanDerWaalsContact C-N 3.35Å; K396-Q398 PolarHBondContact O-N 3.24Å; K396-V399 PolarHBondContact O-N 3.42Å; K396-E400 WeakPolarHBondContact CE-OE1 3.27Å; K396-E400 HydrophobicContact CG-CG 4.49Å; K396-E400 IonicContact NZ-OE1 3.17Å; K396-E400 PolarHBondContact NZ-OE1 2.9Å; K396-E400 IonicContact NZ-OE2 2.83Å; K396-E400 PolarHBondContact NZ-OE2 3.14Å; K396-E400 WeakPolarHBondContact O-CB 3.46Å; K396-E400 WeakPolarHBondContact O-CG 3.37Å; K396-E400 PolarHBondContact O-N 3.24Å
397E97.6Very high97.7Very high122 Ų12299.4 Ų99.457%0.5750%0.496SS*.Hα-helixtrans-60.7-42.1177.1-72.3167.3-171.100111.8A393 T394 E400 W401A393-E397 WeakPolarHBondContact O-CG 3.3Å; A393-E397 PolarHBondContact O-N 2.91Å; T394-E397 PolarHBondContact O-N 3.09Å; E397-E400 PolarHBondContact O-N 3.07Å; E397-W401 PolarHBondContact O-N 3.41Å
398Q98Very high97.7Very high116 Ų11697.4 Ų97.454%0.54249%0.488SS..Hα-helixtrans-60.9-49173.6-178.6-178-22.600111.4T394 K396 E400 W401 E402T394-Q398 PolarHBondContact O-N 3.32Å; K396-Q398 VanDerWaalsContact C-N 3.35Å; K396-Q398 PolarHBondContact O-N 3.24Å; Q398-E400 VanDerWaalsContact C-N 3.27Å; Q398-E400 PolarHBondContact O-N 3.47Å; Q398-W401 PolarHBondContact O-N 3.02Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.4Å; Q398-E402 PolarHBondContact NE2-OE1 2.93Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 2.92Å
399V98.3Very high97.7Very high87 Ų8795.2 Ų95.253%0.52749%0.485SS..Hα-helixtrans-63.8-32.9179.2170.10000111.8E395 K396 N403E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 2.67Å; K396-V399 PolarHBondContact O-N 3.42Å; V399-N403 VanDerWaalsContact O-CB 3.29Å; V399-N403 WeakPolarHBondContact O-CB 3.4Å; V399-N403 PolarHBondContact O-N 3.2Å
400E98Very high97.7Very high96 Ų9696.6 Ų96.645%0.44949%0.492SS..Hα-helixtrans-70.7-37.6175.3-76.6171.6163.900112.3K396 E397 Q398 N403 A404K396-E400 WeakPolarHBondContact CE-OE1 3.27Å; K396-E400 HydrophobicContact CG-CG 4.49Å; K396-E400 IonicContact NZ-OE1 3.17Å; K396-E400 PolarHBondContact NZ-OE1 2.9Å; K396-E400 IonicContact NZ-OE2 2.83Å; K396-E400 PolarHBondContact NZ-OE2 3.14Å; K396-E400 WeakPolarHBondContact O-CB 3.46Å; K396-E400 WeakPolarHBondContact O-CG 3.37Å; K396-E400 PolarHBondContact O-N 3.24Å; E397-E400 PolarHBondContact O-N 3.07Å; Q398-E400 VanDerWaalsContact C-N 3.27Å; Q398-E400 PolarHBondContact O-N 3.47Å; E400-N403 PolarHBondContact O-N 2.91Å; E400-A404 WeakPolarHBondContact O-CB 3.34Å; E400-A404 PolarHBondContact O-N 3.49Å
401W97.8Very high97.9Very high173 Ų17399.3 Ų99.366%0.65550%0.501SS*.Hα-helixtrans-64.5-46.8170.4-179.582.7000112.1E397 Q398 N403 A404 E405E397-W401 PolarHBondContact O-N 3.41Å; Q398-W401 PolarHBondContact O-N 3.02Å; W401-N403 VanDerWaalsContact C-N 3.27Å; W401-N403 PolarHBondContact O-N 3.47Å; W401-A404 PolarHBondContact O-N 2.92Å; W401-A404 VanDerWaalsContact O-N 3.14Å; W401-E405 PolarHBondContact O-N 3.01Å
402E98.2Very high97.9Very high82 Ų8299.5 Ų99.538%0.38350%0.503SS..Hα-helixtrans-60.3-36.9175.1-70.8176.6-166.600111.5Q398 L406Q398-E402 WeakPolarHBondContact CG-OE1 3.4Å; Q398-E402 PolarHBondContact NE2-OE1 2.93Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 2.92Å; E402-L406 WeakPolarHBondContact O-CB 3.11Å; E402-L406 VanDerWaalsContact O-CG 3.26Å; E402-L406 WeakPolarHBondContact O-CG 3.15Å; E402-L406 PolarHBondContact O-N 3.37Å
403N98.1Very high97.9Very high70 Ų7096.5 Ų96.537%0.37450%0.501SS..Hα-helixtrans-68.2-38.7175.2-155-94.7000112.3V399 E400 W401 R407V399-N403 VanDerWaalsContact O-CB 3.29Å; V399-N403 WeakPolarHBondContact O-CB 3.4Å; V399-N403 PolarHBondContact O-N 3.2Å; E400-N403 PolarHBondContact O-N 2.91Å; W401-N403 VanDerWaalsContact C-N 3.27Å; W401-N403 PolarHBondContact O-N 3.47Å; N403-R407 VanDerWaalsContact O-CG 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.24Å; N403-R407 PolarHBondContact O-N 3.3Å; N403-R407 VanDerWaalsContact OD1-CZ 3.3Å; N403-R407 PolarHBondContact OD1-NE 2.88Å; N403-R407 PolarHBondContact OD1-NH2 3.19Å
404A97.9Very high97.9Very high60 Ų6096.5 Ų96.550%0.49650%0.497SS..Hα-helixtrans-66.6-43.6176.800000111.9E400 W401 R407 G408E400-A404 WeakPolarHBondContact O-CB 3.34Å; E400-A404 PolarHBondContact O-N 3.49Å; W401-A404 PolarHBondContact O-N 2.92Å; W401-A404 VanDerWaalsContact O-N 3.14Å; A404-R407 WeakPolarHBondContact O-CB 3.24Å; A404-R407 PolarHBondContact O-N 2.91Å; A404-G408 PolarHBondContact O-N 3.46Å
405E98.3Very high98Very high89 Ų8999.6 Ų99.642%0.41651%0.506SS..Hα-helixtrans-60.8-48.317517754.5-147.400111.3W401 R407 G408 Q409W401-E405 PolarHBondContact O-N 3.01Å; E405-R407 VanDerWaalsContact C-N 3.29Å; E405-R407 PolarHBondContact O-N 3.49Å; E405-G408 WeakPolarHBondContact O-CA 3.28Å; E405-G408 PolarHBondContact O-N 3.42Å; E405-Q409 WeakPolarHBondContact O-CG 3.43Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.89Å
406L98.4Very high98Very high107 Ų107100.6 Ų100.656%0.5651%0.511SS*.Hα-helixtrans-61.9-33176.3-72.5170.3000113E402 L410E402-L406 WeakPolarHBondContact O-CB 3.11Å; E402-L406 VanDerWaalsContact O-CG 3.26Å; E402-L406 WeakPolarHBondContact O-CG 3.15Å; E402-L406 PolarHBondContact O-N 3.37Å; L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.45Å
407R98.3Very high98Very high160 Ų160101.5 Ų101.560%0.60451%0.511SS*.Hα-helixtrans-67.1-40171.4-73.4170.5-165.3-137.45.6112N403 A404 E405 L410 L411N403-R407 VanDerWaalsContact O-CG 3.24Å; N403-R407 WeakPolarHBondContact O-CG 3.24Å; N403-R407 PolarHBondContact O-N 3.3Å; N403-R407 VanDerWaalsContact OD1-CZ 3.3Å; N403-R407 PolarHBondContact OD1-NE 2.88Å; N403-R407 PolarHBondContact OD1-NH2 3.19Å; A404-R407 WeakPolarHBondContact O-CB 3.24Å; A404-R407 PolarHBondContact O-N 2.91Å; E405-R407 VanDerWaalsContact C-N 3.29Å; E405-R407 PolarHBondContact O-N 3.49Å; R407-L410 PolarHBondContact O-N 3.48Å; R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.23Å; R407-L411 PolarHBondContact O-N 3.4Å
408G98.1Very high98.1Very high43 Ų4398.5 Ų98.544%0.44350%0.499SS..Hα-helixtrans-59.9-47.2174.400000112.1A404 E405 L411 G412A404-G408 PolarHBondContact O-N 3.46Å; E405-G408 WeakPolarHBondContact O-CA 3.28Å; E405-G408 PolarHBondContact O-N 3.42Å; G408-L411 PolarHBondContact O-N 3.06Å; G408-G412 PolarHBondContact O-N 2.84Å
409Q97.9Very high98.1Very high103 Ų10394.5 Ų94.548%0.48148%0.484SS..Hα-helixtrans-62-43.6175.6-65.3176.918.200112E405 L411 G412 V413E405-Q409 WeakPolarHBondContact O-CG 3.43Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-Q409 PolarHBondContact OE1-NE2 2.89Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; Q409-L411 PolarHBondContact O-N 2.88Å; Q409-G412 PolarHBondContact O-N 2.87Å; Q409-V413 WeakPolarHBondContact O-CG2 3.49Å; Q409-V413 PolarHBondContact O-N 2.69Å
410L98.2Very high98Very high113 Ų11393.1 Ų93.159%0.59248%0.481SS*.Hα-helixtrans-62.2-39.5176.2179.961.3000112.5L406 R407 T414L406-L410 WeakPolarHBondContact O-CB 3.36Å; L406-L410 PolarHBondContact O-N 3.45Å; R407-L410 PolarHBondContact O-N 3.48Å; L410-T414 VanDerWaalsContact O-CB 3.29Å; L410-T414 WeakPolarHBondContact O-CB 3.43Å; L410-T414 PolarHBondContact O-N 3.03Å; L410-T414 PolarHBondContact O-OG1 2.85Å
411L98.3Very high98Very high125 Ų12592.7 Ų92.765%0.65448%0.482SS*.Hα-helixtrans-62.8-43174.2-79.5164.6000111.6R407 G408 Q409 T414 Q415R407-L411 WeakPolarHBondContact O-CB 3.29Å; R407-L411 WeakPolarHBondContact O-CG 3.23Å; R407-L411 PolarHBondContact O-N 3.4Å; G408-L411 PolarHBondContact O-N 3.06Å; Q409-L411 VanDerWaalsContact C-N 3.35Å; Q409-L411 PolarHBondContact O-N 2.88Å; L411-T414 PolarHBondContact O-N 2.8Å; L411-Q415 PolarHBondContact O-N 3.17Å
412G97.9Very high98Very high32 Ų3292.1 Ų92.133%0.3348%0.479SS..Hα-helixtrans-58.4-54.2174.700000112.6G408 Q409 T414 Q415 E416G408-G412 PolarHBondContact O-N 2.84Å; Q409-G412 PolarHBondContact O-N 2.87Å; G412-T414 PolarHBondContact O-N 2.81Å; G412-Q415 WeakPolarHBondContact O-CB 3.42Å; G412-Q415 PolarHBondContact O-N 2.96Å; G412-Q415 VanDerWaalsContact O-N 3.07Å; G412-E416 PolarHBondContact O-N 3.28Å
413V98.2Very high98Very high92 Ų9295.4 Ų95.456%0.55849%0.493SS*.Hα-helixtrans-60.9-34.2177.9175.30000111.9Q409 E416 R417Q409-V413 WeakPolarHBondContact O-CG2 3.49Å; Q409-V413 PolarHBondContact O-N 2.69Å; V413-E416 PolarHBondContact O-N 3.48Å; V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 PolarHBondContact O-N 2.87Å
414T97.4Very high97.9Very high42 Ų4294.9 Ų94.926%0.25849%0.494SS..Hα-helixtrans-66.3-43.9174.2-58.90000111.4L410 L411 G412 E416 R417 D418L410-T414 VanDerWaalsContact O-CB 3.29Å; L410-T414 WeakPolarHBondContact O-CB 3.43Å; L410-T414 PolarHBondContact O-N 3.03Å; L410-T414 PolarHBondContact O-OG1 2.85Å; L411-T414 PolarHBondContact O-N 2.8Å; G412-T414 PolarHBondContact O-N 2.81Å; T414-E416 VanDerWaalsContact C-N 3.34Å; T414-E416 PolarHBondContact O-N 3.46Å; T414-R417 WeakPolarHBondContact O-CB 3.37Å; T414-R417 PolarHBondContact O-N 2.82Å; T414-D418 WeakPolarHBondContact O-CB 3.33Å; T414-D418 VanDerWaalsContact O-CG 3.28Å; T414-D418 PolarHBondContact O-N 3.41Å
415Q98.3Very high97.9Very high143 Ų14397.3 Ų97.367%0.66850%0.495SS*.Hα-helixtrans-65.2-36.5176.1-171.1-178.552.600112.3L411 G412 S419L411-Q415 PolarHBondContact O-N 3.17Å; G412-Q415 WeakPolarHBondContact O-CB 3.42Å; G412-Q415 PolarHBondContact O-N 2.96Å; G412-Q415 VanDerWaalsContact O-N 3.07Å; Q415-S419 VanDerWaalsContact O-CB 3.27Å; Q415-S419 WeakPolarHBondContact O-CB 3.39Å; Q415-S419 PolarHBondContact O-N 3.24Å; Q415-S419 PolarHBondContact O-OG 3.45Å
416E97.8Very high97.8Very high140 Ų14094.8 Ų94.865%0.65449%0.493SS*.Hα-helixtrans-64.4-48.9173-72.2-175.4169.800111.6G412 V413 T414 D418 S419 A420G412-E416 PolarHBondContact O-N 3.28Å; V413-E416 PolarHBondContact O-N 3.48Å; T414-E416 VanDerWaalsContact C-N 3.34Å; T414-E416 PolarHBondContact O-N 3.46Å; E416-D418 VanDerWaalsContact C-N 3.33Å; E416-D418 PolarHBondContact O-N 2.98Å; E416-S419 CarbonylContact O-C 3.53Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.94Å; E416-S419 VanDerWaalsContact O-N 3.13Å; E416-A420 PolarHBondContact O-N 2.96Å
417R97.8Very high97.8Very high136 Ų13695.1 Ų95.151%0.51350%0.495SS..Hα-helixtrans-52.6-50.3173.5-178.6-158.871.8-163.4-2111.2V413 T414 S419 A420 L421V413-R417 WeakPolarHBondContact O-CB 3.39Å; V413-R417 PolarHBondContact O-N 2.87Å; T414-R417 WeakPolarHBondContact O-CB 3.37Å; T414-R417 PolarHBondContact O-N 2.82Å; R417-S419 PolarHBondContact O-N 2.84Å; R417-A420 WeakPolarHBondContact O-CB 3.48Å; R417-A420 PolarHBondContact O-N 2.94Å; R417-A420 VanDerWaalsContact O-N 3.12Å; R417-L421 HydrophobicContact CG-CD1 4.08Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 3.24Å
418D98.1Very high97.6Very high59 Ų5992.6 Ų92.632%0.31649%0.49SS..Hα-helixtrans-73.1-20.8-176.5-64.7-16.8000112.4T414 E416 R422T414-D418 WeakPolarHBondContact O-CB 3.33Å; T414-D418 VanDerWaalsContact O-CG 3.28Å; T414-D418 PolarHBondContact O-N 3.41Å; E416-D418 VanDerWaalsContact C-N 3.33Å; E416-D418 PolarHBondContact O-N 2.98Å; D418-R422 VanDerWaalsContact O-CG 3.25Å; D418-R422 WeakPolarHBondContact O-CG 3.42Å; D418-R422 PolarHBondContact O-N 3.4Å; D418-R422 PolarHBondContact O-NE 2.96Å
419S98.1Very high97.6Very high33 Ų3393.5 Ų93.523%0.23149%0.49CS..Hα-helixtrans-78.7-33.6169-58.10000112.5Q415 E416 R417 R422 K423Q415-S419 VanDerWaalsContact O-CB 3.27Å; Q415-S419 WeakPolarHBondContact O-CB 3.39Å; Q415-S419 PolarHBondContact O-N 3.24Å; Q415-S419 PolarHBondContact O-OG 3.45Å; E416-S419 CarbonylContact O-C 3.53Å; E416-S419 WeakPolarHBondContact O-CB 3.45Å; E416-S419 PolarHBondContact O-N 2.94Å; E416-S419 VanDerWaalsContact O-N 3.13Å; R417-S419 PolarHBondContact O-N 2.84Å; S419-R422 PolarHBondContact OG-NH2 2.84Å; S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.48Å; S419-K423 PolarHBondContact O-N 3.46Å
420A97.6Very high97.5Very high57 Ų5795 Ų9547%0.47149%0.494SS..Hα-helixtrans-70.4-41.9171.900000111.8E416 R417 K423 S424E416-A420 PolarHBondContact O-N 2.96Å; R417-A420 WeakPolarHBondContact O-CB 3.48Å; R417-A420 PolarHBondContact O-N 2.94Å; R417-A420 VanDerWaalsContact O-N 3.12Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 3.08Å; A420-S424 WeakPolarHBondContact O-CB 3.23Å; A420-S424 PolarHBondContact O-N 3.15Å
421L97.8Very high97.4Very high88 Ų8895 Ų9546%0.46149%0.494SS..Hα-helixtrans-60.6-48175.7-72.9170.4000111.8R417 K423 S424 Q425R417-L421 HydrophobicContact CG-CD1 4.08Å; R417-L421 WeakPolarHBondContact O-CG 3.26Å; R417-L421 PolarHBondContact O-N 3.24Å; L421-K423 VanDerWaalsContact C-N 3.31Å; L421-K423 PolarHBondContact O-N 3.37Å; L421-S424 WeakPolarHBondContact O-CB 3.36Å; L421-S424 PolarHBondContact O-N 3.46Å; L421-S424 VanDerWaalsContact O-N 3.09Å; L421-Q425 WeakPolarHBondContact O-CG 3.02Å; L421-Q425 PolarHBondContact O-N 3.38Å
422R97.6Very high97.3Very high160 Ų16093.6 Ų93.660%0.60449%0.485SS*.Hα-helixtrans-60.2-37.6175-72.9178.1-62.5149.5-0.6113D418 S419 G426D418-R422 VanDerWaalsContact O-CG 3.25Å; D418-R422 WeakPolarHBondContact O-CG 3.42Å; D418-R422 PolarHBondContact O-N 3.4Å; D418-R422 PolarHBondContact O-NE 2.96Å; S419-R422 PolarHBondContact OG-NH2 2.84Å; R422-G426 PolarHBondContact O-N 3.04Å
423K97.6Very high97.1Very high152 Ų15295.1 Ų95.166%0.66149%0.49SS*.Hα-helixtrans-65.5-41.3172.9-74.2169.9-176.5177.40111.7S419 A420 L421 G426 L427S419-K423 VanDerWaalsContact O-CG 3.26Å; S419-K423 WeakPolarHBondContact O-CG 3.48Å; S419-K423 PolarHBondContact O-N 3.46Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 3.08Å; L421-K423 VanDerWaalsContact C-N 3.31Å; L421-K423 PolarHBondContact O-N 3.37Å; K423-G426 CarbonylContact O-C 3.59Å; K423-G426 PolarHBondContact O-N 3.49Å; K423-L427 WeakPolarHBondContact O-CG 3.2Å; K423-L427 PolarHBondContact O-N 3.16Å
424S96.9Very high97Very high58 Ų5896.2 Ų96.241%0.40649%0.492SS..Hα-helixtrans-63.7-47.6177.9-173.50000111.7A420 L421 G426 L427 Q428A420-S424 WeakPolarHBondContact O-CB 3.23Å; A420-S424 PolarHBondContact O-N 3.15Å; L421-S424 WeakPolarHBondContact O-CB 3.36Å; L421-S424 PolarHBondContact O-N 3.46Å; L421-S424 VanDerWaalsContact O-N 3.09Å; S424-G426 VanDerWaalsContact C-N 3.35Å; S424-G426 PolarHBondContact O-N 2.92Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.27Å; S424-L427 WeakPolarHBondContact O-CB 3.1Å; S424-L427 PolarHBondContact O-N 2.87Å; S424-Q428 WeakPolarHBondContact O-CG 3.44Å; S424-Q428 PolarHBondContact O-N 3.36Å
425Q97.3Very high96.7Very high112 Ų112100 Ų10052%0.52351%0.507SS..Hα-helixtrans-57-46.3172.9-70168.7-28.500111.7L421 L427 Q428 S429L421-Q425 WeakPolarHBondContact O-CG 3.02Å; L421-Q425 PolarHBondContact O-N 3.38Å; Q425-L427 PolarHBondContact O-N 3.1Å; Q425-Q428 PolarHBondContact O-N 3.32Å; Q425-Q428 VanDerWaalsContact O-N 3.12Å; Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.99Å
426G96.9Very high96.4Very high36 Ų3699 Ų9937%0.37150%0.502SS..Hα-helixtrans-67.6-9.6175.400000115.4R422 K423 S424 K430R422-G426 PolarHBondContact O-N 3.04Å; K423-G426 CarbonylContact O-C 3.59Å; K423-G426 PolarHBondContact O-N 3.49Å; S424-G426 VanDerWaalsContact C-N 3.35Å; S424-G426 PolarHBondContact O-N 2.92Å; G426-K430 VanDerWaalsContact O-CD 3.31Å; G426-K430 WeakPolarHBondContact O-CD 3.47Å; G426-K430 WeakPolarHBondContact O-CE 3.47Å; G426-K430 WeakPolarHBondContact O-CG 3.11Å
427L96.9Very high96.2Very high113 Ų11395.7 Ų95.759%0.59249%0.492SS*.Hα-helixtrans-94.9-37.4167.7-70.4170000111.4K423 S424 Q425 K430 L431K423-L427 WeakPolarHBondContact O-CG 3.2Å; K423-L427 PolarHBondContact O-N 3.16Å; S424-L427 CarbonylContact O-C 3.53Å; S424-L427 WeakPolarHBondContact O-CA 3.27Å; S424-L427 WeakPolarHBondContact O-CB 3.1Å; S424-L427 PolarHBondContact O-N 2.87Å; Q425-L427 PolarHBondContact O-N 3.1Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 2.96Å; L427-L431 PolarHBondContact O-N 3.08Å
428Q96Very high95.7Very high107 Ų10795 Ų9550%0.550%0.498SS..Hα-helixtrans-58-51.8174-71.8172.7-52.900111S424 Q425 K430 L431 E432S424-Q428 WeakPolarHBondContact O-CG 3.44Å; S424-Q428 PolarHBondContact O-N 3.36Å; Q425-Q428 PolarHBondContact O-N 3.32Å; Q425-Q428 VanDerWaalsContact O-N 3.12Å; Q428-K430 PolarHBondContact O-N 2.85Å; Q428-K430 VanDerWaalsContact O-N 3.15Å; Q428-L431 WeakPolarHBondContact O-CA 3.35Å; Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 3.43Å; Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.37Å
429S96.6Very high95.1Very high63 Ų63100.1 Ų100.144%0.44152%0.517SS..Hα-helixtrans-64.3-23.4178.4-540000114Q425 E432 S433Q425-S429 PolarHBondContact O-N 3.44Å; Q425-S429 PolarHBondContact O-OG 2.99Å; S429-E432 WeakPolarHBondContact CA-OE2 3.47Å; S429-S433 WeakPolarHBondContact O-CB 3.42Å; S429-S433 PolarHBondContact O-N 2.84Å; S429-S433 VanDerWaalsContact O-N 3.11Å; S429-S433 PolarHBondContact O-OG 3.28Å
430K96.9Very high94.4Very high134 Ų134105.6 Ų105.658%0.58354%0.543SS*.Hα-helixtrans-75.7-38.9170.8-72176.8-176.5179.60111.9G426 L427 Q428 S433 L434G426-K430 VanDerWaalsContact O-CD 3.31Å; G426-K430 WeakPolarHBondContact O-CD 3.47Å; G426-K430 WeakPolarHBondContact O-CE 3.47Å; G426-K430 WeakPolarHBondContact O-CG 3.11Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 2.96Å; Q428-K430 PolarHBondContact O-N 2.85Å; Q428-K430 VanDerWaalsContact O-N 3.15Å; K430-S433 PolarHBondContact O-N 3.19Å; K430-L434 WeakPolarHBondContact O-CG 3.26Å; K430-L434 PolarHBondContact O-N 2.73Å
431L96.2Very high93.3Very high113 Ų113110.7 Ų110.759%0.59256%0.555SS**Hα-helixtrans-65.1-46.4175.3-172.6149.7000110.3L427 Q428 S433 L434 E435L427-L431 PolarHBondContact O-N 3.08Å; Q428-L431 WeakPolarHBondContact O-CA 3.35Å; Q428-L431 WeakPolarHBondContact O-CB 3.46Å; Q428-L431 PolarHBondContact O-N 3.43Å; L431-S433 VanDerWaalsContact C-N 3.28Å; L431-S433 PolarHBondContact O-N 2.89Å; L431-L434 PolarHBondContact O-N 3.04Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L431-E435 WeakPolarHBondContact O-CB 3.46Å; L431-E435 PolarHBondContact O-N 2.81Å
432E95.3Very high91.7Very high96 Ų96110.7 Ų110.745%0.44956%0.562SS.*Hα-helixtrans-56-40.9172.1-68.5161.6-170.300112Q428 S429 Q436Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.37Å; S429-E432 WeakPolarHBondContact CA-OE2 3.47Å; E432-Q436 VanDerWaalsContact O-CG 3.26Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.5Å; E432-Q436 PolarHBondContact O-NE2 3.09Å; E432-Q436 VanDerWaalsContact O-NE2 3.1Å
433S94.6Very high89.8Confident64 Ų64110 Ų11045%0.44857%0.569SS.*Hα-helixtrans-67.2-39.9176.3-60.40000112.4S429 K430 L431 V437S429-S433 WeakPolarHBondContact O-CB 3.42Å; S429-S433 PolarHBondContact O-N 2.84Å; S429-S433 VanDerWaalsContact O-N 3.11Å; S429-S433 PolarHBondContact O-OG 3.28Å; K430-S433 PolarHBondContact O-N 3.19Å; L431-S433 VanDerWaalsContact C-N 3.28Å; L431-S433 PolarHBondContact O-N 2.89Å; S433-V437 WeakPolarHBondContact O-CG2 3.49Å; S433-V437 PolarHBondContact O-N 3.34Å
434L94.5Very high87.8Confident114 Ų114107.3 Ų107.360%0.59757%0.567SS**Hα-helixtrans-70.9-35.2176.7-71.9170.2000111.9K430 L431 V437 L438K430-L434 WeakPolarHBondContact O-CG 3.26Å; K430-L434 PolarHBondContact O-N 2.73Å; L431-L434 PolarHBondContact O-N 3.04Å; L431-L434 VanDerWaalsContact O-N 3.13Å; L434-V437 PolarHBondContact O-N 2.97Å; L434-L438 WeakPolarHBondContact O-CG 3.39Å; L434-L438 PolarHBondContact O-N 2.9Å
435E92.9Very high85.7Confident121 Ų121114 Ų11457%0.56559%0.591SS**Hα-helixtrans-64.7-42.9173.3-172.9-179.1172.100111.4L431 V437 L438 K439L431-E435 WeakPolarHBondContact O-CB 3.46Å; L431-E435 PolarHBondContact O-N 2.81Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.81Å; E435-L438 PolarHBondContact O-N 3.05Å; E435-K439 VanDerWaalsContact O-CB 3.31Å; E435-K439 WeakPolarHBondContact O-CB 3.33Å; E435-K439 PolarHBondContact O-N 3.03Å
436Q92.1Very high83.5Confident122 Ų122116.8 Ų116.857%0.5761%0.605SS**Hα-helixtrans-59.8-42.2171.8-74165.457.600112E432 K439 L440E432-Q436 VanDerWaalsContact O-CG 3.26Å; E432-Q436 WeakPolarHBondContact O-CG 3.38Å; E432-Q436 PolarHBondContact O-N 3.5Å; E432-Q436 PolarHBondContact O-NE2 3.09Å; E432-Q436 VanDerWaalsContact O-NE2 3.1Å; Q436-K439 PolarHBondContact O-N 2.94Å; Q436-L440 WeakPolarHBondContact O-CG 3.44Å; Q436-L440 PolarHBondContact O-N 3.13Å; Q436-L440 VanDerWaalsContact O-N 3.08Å
437V91.9Very high81.4Confident72 Ų72123.9 Ų123.944%0.43663%0.628SS.*Hα-helixtrans-65.6-44.9176.3169.30000111.6S433 L434 E435 K439 L440 F441S433-V437 WeakPolarHBondContact O-CG2 3.49Å; S433-V437 PolarHBondContact O-N 3.34Å; L434-V437 PolarHBondContact O-N 2.97Å; E435-V437 VanDerWaalsContact C-N 3.34Å; E435-V437 PolarHBondContact O-N 2.81Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.09Å; V437-L440 PolarHBondContact O-N 3.37Å; V437-L440 VanDerWaalsContact O-N 3.15Å; V437-F441 HydrophobicContact CG1-CD2 3.88Å; V437-F441 HydrophobicContact CG1-CE2 3.76Å; V437-F441 VanDerWaalsContact O-CD2 3.27Å; V437-F441 WeakPolarHBondContact O-CD2 3.07Å; V437-F441 PolarHBondContact O-N 3.2Å
438L87.9Confident78.8Confident121 Ų121128.1 Ų128.163%0.63465%0.645SS**Hα-helixtrans-58.3-45.1174.7-77.3166.5000111.1L434 E435 L440 F441 S442L434-L438 WeakPolarHBondContact O-CG 3.39Å; L434-L438 PolarHBondContact O-N 2.9Å; E435-L438 PolarHBondContact O-N 3.05Å; L438-L440 PolarHBondContact O-N 3.38Å; L438-F441 CarbonylContact O-C 3.53Å; L438-F441 WeakPolarHBondContact O-CA 3.35Å; L438-F441 PolarHBondContact O-N 3.16Å; L438-S442 PolarHBondContact O-N 3.47Å; L438-S442 PolarHBondContact O-OG 2.94Å
439K86.6Confident76.7Confident166 Ų166131.7 Ų131.772%0.72266%0.662SS**Hα-helixtrans-64.7-23.1178-169.3168.9-174.9170.50113.9E435 Q436 V437E435-K439 VanDerWaalsContact O-CB 3.31Å; E435-K439 WeakPolarHBondContact O-CB 3.33Å; E435-K439 PolarHBondContact O-N 3.03Å; Q436-K439 PolarHBondContact O-N 2.94Å; V437-K439 VanDerWaalsContact C-N 3.32Å; V437-K439 PolarHBondContact O-N 3.09Å
440L81.9Confident74Confident148 Ų148138.1 Ų138.178%0.77569%0.685SS**Hα-helixtrans-81.8-19.7171.1-72.1168.6000113.3Q436 V437 L438Q436-L440 WeakPolarHBondContact O-CG 3.44Å; Q436-L440 PolarHBondContact O-N 3.13Å; Q436-L440 VanDerWaalsContact O-N 3.08Å; V437-L440 PolarHBondContact O-N 3.37Å; V437-L440 VanDerWaalsContact O-N 3.15Å; L438-L440 PolarHBondContact O-N 3.38Å
441F74.7Confident71.3Confident165 Ų165140.7 Ų140.772%0.72470%0.699SS**Hα-helixtrans-94.7-14.4173.3-76-66000113.6V437 L438 I443V437-F441 HydrophobicContact CG1-CD2 3.88Å; V437-F441 HydrophobicContact CG1-CE2 3.76Å; V437-F441 VanDerWaalsContact O-CD2 3.27Å; V437-F441 WeakPolarHBondContact O-CD2 3.07Å; V437-F441 PolarHBondContact O-N 3.2Å; L438-F441 CarbonylContact O-C 3.53Å; L438-F441 WeakPolarHBondContact O-CA 3.35Å; L438-F441 PolarHBondContact O-N 3.16Å; F441-I443 VanDerWaalsContact C-N 3.32Å; F441-I443 PolarHBondContact O-N 2.98Å
442S64.5Low68.7Low87 Ų87143.8 Ų143.861%0.60871%0.71SS**  trans-69.985.2166.5-64.20000110.9L438L438-S442 PolarHBondContact O-N 3.47Å; L438-S442 PolarHBondContact O-OG 2.94Å
443I57.8Low65.9Low146 Ų146146.6 Ų146.675%0.74973%0.728SS**  trans-60.6135161.8-53.8175.5000107.5F441 E445F441-I443 VanDerWaalsContact C-N 3.32Å; F441-I443 PolarHBondContact O-N 2.98Å; I443-E445 PolarHBondContact O-N 3.44Å
444P55.6Low63.4Low96 Ų96152.2 Ų152.262%0.62375%0.748SS**  trans-63.9125.7166.8-15.529.8000109.2E446P444-E446 HydrophobicContact CB-CG 4.25Å; P444-E446 PolarHBondContact O-N 2.98Å
445E52.5Low60.6Low197 Ų197155.2 Ų155.292%0.92176%0.759SS**  trans-71.191.9159.5-68.9177.4153.900106I443I443-E445 PolarHBondContact O-N 3.44Å
446E51.9Low58Low171 Ų171157.1 Ų157.180%0.79977%0.768SS**  trans-68.4143172.8-66-171.8151.100109.4P444 E448P444-E446 HydrophobicContact CB-CG 4.25Å; P444-E446 PolarHBondContact O-N 2.98Å; E446-E448 PolarHBondContact O-N 2.67Å
447E52.1Low55.2Low186 Ų186157 Ų15787%0.86977%0.767SS**  trans-74.7118.8-167.8-62.9164.313700111
448E43.6Very low52.5Low202 Ų202161.7 Ų161.794%0.94478%0.781SS**  trans-88.8101159-74.7-169.4150.700108.5E446E446-E448 PolarHBondContact O-N 2.67Å
449E49.9Very low49.9Very low181 Ų181162.2 Ų162.285%0.84680%0.795SS**  trans-76.1125.5164.1-63.6-177.6131.500109.6
450E40.2Very low47.4Very low198 Ų198157.7 Ų157.793%0.92580%0.796SS**  trans-134.9144.1148.6-75.7-159.214400109.8
451E41.3Very low45.3Very low188 Ų188156.2 Ų156.288%0.87981%0.805SS**  trans-81.5152.8176.1-55.4177.5120.600110.3
452E40.9Very low43.3Very low179 Ų179151.5 Ų151.584%0.83680%0.803SS**  177.8123127.3-98.3175.5-17200113.1
453D36.6Very low41.8Very low155 Ų155153.5 Ų153.583%0.82982%0.816SS**  trans66.4164.3140.2-68.71.5000124.6
454E42.3Very low40.9Very low182 Ų182152 Ų15285%0.8582%0.817SS**  trans-97.9149.5-168.4-49.1-177.9140.100112.3
455E36.2Very low40.1Very low177 Ų177152.2 Ų152.283%0.82782%0.822SS**  171.3138.2118.7-94.8-169.3166.800115.3
456E37.6Very low39.4Very low161 Ų161153.9 Ų153.975%0.75282%0.82SS**  trans54150.4136.5-70.2-101.497.600126.3
457E34.5Very low38.7Very low120 Ų120152.6 Ų152.656%0.56182%0.818SS**  trans6896.8147.2-67.1-89.4110.500123.2
458K33.5Very low38.6Very low169 Ų169149.4 Ų149.474%0.73581%0.814SS**  44.1112.9121.3-60.8175.2-169.2146.60120.7
459S33.8Very low38.2Very low132 Ų132142.5 Ų142.592%0.92380%0.797SS**  170158107.748.70000111.9
460G34Very low38.5Very low71 Ų71140 Ų14073%0.73280%0.796SS**  cis167.4114.2-10.700000113.3
461A37.7Very low39.1Very low117 Ų117135.8 Ų135.897%0.96779%0.786SS**  trans64.9146.9174.100000117.9
462G33.1Very low38.9Very low66 Ų66135.1 Ų135.168%0.6878%0.783SS**  cis172-178.5-6.100000114.7
463C33.2Very low39.3Very low130 Ų130132.4 Ų132.488%0.87878%0.781SS**  trans66.5108.3176-60.90000116
464S38.6Very low39.2Very low113 Ų113128.7 Ų128.779%0.7977%0.771SS**  72.4130.360.3-163.10000112.3
465S39.6Very low38.7Very low102 Ų102127.2 Ų127.271%0.71377%0.769SS**  cis-153.8139.735.358.10000117.7
466R37.4Very low38.6Very low232 Ų232126.8 Ų126.888%0.87577%0.771SS**  trans26.1121.3138.3-65.1177167.9175.5-5.6119.1
467D37.8Very low38.3Very low144 Ų144122.8 Ų122.877%0.7777%0.773SS**  60.3127.365.4-156.643.4000113
468P50Low38.3Very low119 Ų119126 Ų12677%0.77379%0.793SS**  -144.7157.773.742.2-25.3000117.8
469G33.5Very low38.2Very low57 Ų57121 Ų12159%0.58879%0.79SS**  trans-81.2-150.5151.600000112
470P56.7Low38Very low127 Ų127120.8 Ų120.883%0.82579%0.787SS**  cis-123.1-140.3-934.6-10.5000108.5
471P52.4Low37.9Very low111 Ų111125 Ų12572%0.72179%0.792SS**  cis-139.1178.3-1245.2-28000116.6
472E38.6Very low37.6Very low174 Ų174125 Ų12581%0.81379%0.786SS**  trans-76.9167.9150.4-64.2-163.714000111
473P48.4Very low37.5Very low122 Ų122125.7 Ų125.779%0.79279%0.792SS**  -153152.199.538.7-21.2000117.7
474A34.2Very low37.8Very low76 Ų76128.3 Ų128.363%0.62879%0.792SS**  trans75.3112.6131.200000123.2
475L32.4Very low38.7Very low152 Ų152127.5 Ų127.580%0.79678%0.784SS**  98.6132.7115-76.7176.4000123
476L33.6Very low38.1Very low167 Ų167134.3 Ų134.387%0.87479%0.794SS**  trans74.8116.4151.5-64.7165.1000119.9
477G30.8Very low38Very low78 Ų78134.5 Ų134.580%0.80480%0.795SS**  trans172.487.5167.600000114.7
478L35.8Very low38.4Very low187 Ų187133.2 Ų133.298%0.97979%0.794SS**  trans-70.3153.2159.7-55.2166.2000108.3
479G30.2Very low37.4Very low65 Ų65130.7 Ų130.767%0.6779%0.789SS**  cis160.8157.70.100000109.9
480C30.4Very low37.2Very low126 Ų126137.2 Ų137.285%0.85181%0.805SS**  trans67.5112.3172.9-59.20000119.5
481D31.1Very low35.7Very low159 Ų159136.9 Ų136.985%0.8580%0.804SS**  trans30.9112.3141.6-61.9-67.2000123
482S31.6Very low35.4Very low118 Ų118136.8 Ų136.883%0.82580%0.804SS**  -163.7115110.165.70000110.9
483G30.4Very low34.9Very low80 Ų80136.4 Ų136.483%0.82581%0.806SS**  trans-96.4104.1-170.300000116.1
484Q39.7Very low34Very low186 Ų186135.8 Ų135.887%0.86981%0.805SS**  trans-173.3165.7159.6-106.7-155.628.900110
485P58.2Low34.6Very low95 Ų95137.2 Ų137.262%0.61781%0.808SS**  cis-126.8-171-48.937.7-21.8000110.3
486R27.5Very low34.4Very low245 Ų245138.2 Ų138.293%0.92581%0.808SS**  trans163.5162139.2-91.6163.1179.6-133.70.3117.4
487R34.7Very low34.1Very low236 Ų236135.1 Ų135.189%0.89180%0.801SS**  trans-67.9-179156.2-73176.3173.7160.6-3.2111.5
488P46.3Very low34.1Very low118 Ų118136.3 Ų136.377%0.76680%0.797SS**  cis-133.1-162.38.347.2-29.4000112.9
489G29.1Very low33.6Very low65 Ų65139.1 Ų139.167%0.6779%0.794SS**  cis113.3100-9.900000116.6
490Q29.5Very low33.7Very low195 Ų195140.7 Ų140.791%0.91180%0.801SS**  trans-169.3171.5166.6-111.1169109.700111.7
491C25.9Very low33.7Very low120 Ų120137.8 Ų137.881%0.81179%0.793SS**  trans-82.3-169.8175.4-48.80000111.3
492P45.5Very low33.8Very low109 Ų109137.7 Ų137.771%0.70879%0.792SS**  cis-147.8-170.1645.5-24.9000118.2
493L27.8Very low33.7Very low165 Ų165137.1 Ų137.186%0.86479%0.787SS**  trans78.9156156.8-64.6176.2000121.7
494S29.8Very low33.7Very low110 Ų110140.8 Ų140.877%0.76979%0.787SS**  trans-82-174.8-179.6-26.60000112.3
495P47.4Very low33.6Very low106 Ų106140.4 Ų140.469%0.68879%0.785SS**  cis-150.6-177.225.844.3-21.6000120.1
496E27.8Very low32.1Very low172 Ų172142.5 Ų142.580%0.80479%0.791SS**  trans65.1117.2138.9-82.5172.9139.900126.4
497S26.7Very low32.5Very low102 Ų102138.2 Ų138.271%0.71378%0.783SS**  107119.9117.5780000124.1
498S30Very low33.3Very low104 Ų104132.9 Ų132.973%0.72778%0.779SS**  73.2118.812873.10000124.1
499R27.2Very low32.5Very low245 Ų245130.4 Ų130.493%0.92578%0.775SS**  160.4163.3129.8-90.9179.8171.3-151.1-3.1109.9
500A31.1Very low32.9Very low99 Ų99135.2 Ų135.282%0.81879%0.785SS**  cis160.4135.9-45.300000109.4
501G31.7Very low32.9Very low65 Ų65132.3 Ų132.367%0.6778%0.78SS**  trans104.8148.3176.700000114.8
502D32.3Very low33.1Very low157 Ų157130.2 Ų130.284%0.8478%0.778SS**  cis-163.5161.6-9.3-103-40.5000113.1
503C29.1Very low32.4Very low106 Ų106128.2 Ų128.272%0.71678%0.778SS**  trans61.9138.9166.5-63.50000119.7
504L31.7Very low32.6Very low157 Ų157126.4 Ų126.482%0.82278%0.779SS**  cis76.113447.4-75.5164.2000113.5
505E36.2Very low32.6Very low177 Ų177125.2 Ų125.283%0.82777%0.771SS**  cis-121.4-168.69.1-59.7-174108.600111.2
506D27.1Very low32Very low139 Ų139131 Ų13174%0.74378%0.779SS**  cis-164.1173.734-1659.8000113.4
507M36.6Very low32.2Very low156 Ų156133 Ų13377%0.76878%0.779SS**  trans-153.1168.9-171.1-93.6-67.7105.700110.8
508P51.3Low32.5Very low124 Ų124138.7 Ų138.781%0.80579%0.785SS**  cis-158.4176.841.844-21.4000121
509G28.6Very low32.4Very low66 Ų66137.6 Ų137.668%0.6879%0.79SS**  trans105.9154.6138.900000119.4
510L37.1Very low32.6Very low165 Ų165129.9 Ų129.986%0.86479%0.787SS**  cis-167.6161.5-14.6-128.4174.9000111.1
511V30.3Very low32.5Very low134 Ų134129 Ų12981%0.81279%0.787SS**  trans70.6138.1174.5-172.10000115.9
512G29.8Very low32.6Very low76 Ų76131.9 Ų131.978%0.78480%0.797SS**  cis134.3138.1-4.400000112.7
513G31.2Very low32.9Very low67 Ų67129.6 Ų129.669%0.69179%0.791SS**  cis171.9170.1-8.700000114
514S31Very low33Very low127 Ų127133.2 Ų133.289%0.88880%0.797SS**  trans75.8161.2170.791.70000118
515S31.6Very low33Very low86 Ų86135.7 Ų135.760%0.60180%0.801SS**  cis-159.4153.71.31060000115.7
516R34.1Very low33.4Very low227 Ų227132.7 Ų132.786%0.85780%0.797SS**  trans70.7104.1147.1-64.9169.4-160-108.7-2124
517R32.3Very low34Very low213 Ų213131.5 Ų131.580%0.80480%0.797SS**  57.5121.1116.6-73-167.6-176-86.75.5123.7
518R32.2Very low33.7Very low222 Ų222128.8 Ų128.884%0.83879%0.794SS**  92.8125.1125-162-160.2-60.6-97.212.3119.3
519G29Very low32.7Very low82 Ų82135 Ų13585%0.84580%0.801SS**  trans101.1137.917000000112.4
520G30.7Very low33Very low82 Ų82143 Ų14385%0.84581%0.811SS**  cis161123.1-7.500000111.3
521G27.8Very low32.9Very low80 Ų80146.7 Ų146.783%0.82581%0.813SS**  trans100.8139.9-176.300000113.5
522S34.1Very low33.2Very low126 Ų126146 Ų14688%0.88181%0.811SS**  trans-96.6149.4-175.9-53.70000112.6
523P38.3Very low33.7Very low109 Ų109148.4 Ų148.471%0.70881%0.813SS**  trans-125.6141.6145.935.1-24.9000113.8
524E33.1Very low33.7Very low183 Ų183151.8 Ų151.886%0.85582%0.815SS**  trans46.1116146.3-56.1-174.711800122.1
525K30.1Very low34.1Very low208 Ų208151.6 Ų151.690%0.90481%0.811SS**  trans-170.5166.1136.2-112.8161.2-169173.60112.4
526P46.1Very low34.4Very low115 Ų115158 Ų15875%0.74782%0.822SS**  -107-163.5-101.238-22.7000112.5
527P39.8Very low34.3Very low114 Ų114155.6 Ų155.674%0.7482%0.821SS**  -154173.4110.339.5-22.6000118.1
528S29Very low34.3Very low99 Ų99153.5 Ų153.569%0.69282%0.82SS**  trans77.499.4151.970.20000120.4
529R31.6Very low34.1Very low253 Ų253149 Ų14996%0.95582%0.821SS**  trans-66139142.4-73.9177.9169.2178.8-5108.8
530R34.6Very low34.1Very low236 Ų236150.8 Ų150.889%0.89182%0.82SS**  trans-110.5151.9159.3-77.2-174.1173.1-114.7-0.1109.6
531R34.9Very low34.1Very low241 Ų241158.2 Ų158.291%0.90982%0.823SS**PPolyproline II helixtrans-78.5151.8-179.6-56.7176.6-168.6145.21.5110.8
532P36.7Very low34.3Very low119 Ų119162 Ų16277%0.77382%0.823SS**PPolyproline II helixtrans-72157.716432.8-34.9000111.5
533P38.8Very low34.1Very low127 Ų127164 Ų16483%0.82582%0.823SS**PPolyproline II helixtrans-90.4164.9174.336.5-34.5000113.5
534D32.8Very low33.6Very low138 Ų138163.6 Ų163.674%0.73882%0.823SS**PPolyproline II helixtrans-100.8130.5-175178.812.6000112R536D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.16Å
535P38Very low33.6Very low124 Ų124161.5 Ų161.581%0.80582%0.818SS**  trans-8772.6-175.535.6-37.5000114.2
536R38.1Very low33.5Very low221 Ų221159.7 Ų159.783%0.83482%0.818SS**  trans-139.285.5166.2-94.2-170.8166.4-126.31.3113D534D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.16Å
537E33.4Very low32.7Very low175 Ų175157.4 Ų157.482%0.81882%0.815SS**  trans-169.6166.3149.5-114.2160.5-146.200113.8
538H30.6Very low33.5Very low170 Ų170158.1 Ų158.179%0.78782%0.82SS**  trans66.598170.8-59.7-43.6000120.6
539C28Very low33.4Very low127 Ų127162.8 Ų162.886%0.85883%0.831SS**  trans-119161.5136.7-85.90000109.6
540S30.2Very low33.3Very low120 Ų120155.5 Ų155.584%0.83982%0.824SS**  trans104.358.9168.2-520000119.8
541R31.2Very low33.1Very low238 Ų238150.5 Ų150.590%0.89883%0.826SS**  trans-152.3137.4146.4-69.8-163.5-173-174.73.2107.4
542L30.6Very low32.6Very low159 Ų159142.1 Ų142.183%0.83282%0.815SS**  cis-154156.7-3.3-99.3157.8000108
543L29.5Very low32.3Very low167 Ų167147.4 Ų147.487%0.87482%0.819SS**  trans-124.1108163.1-82.3178.2000110.9
544S29Very low31.7Very low102 Ų102149 Ų14971%0.71382%0.819SS**  175.8137.9129.1-90.80000113.9
545N31.8Very low31.4Very low139 Ų139145.5 Ų145.574%0.74382%0.817SS**  trans57.6117.9144.6-53.7-7.9000119.8
546N28.8Very low32Very low170 Ų170145.7 Ų145.791%0.90982%0.818SS**  -160.8165.697.3-104.7-68.9000112.9
547G29.5Very low31.5Very low67 Ų67141.1 Ų141.169%0.69182%0.815SS**  trans-86.3178.8-173.600000115.9
548P55.5Low31.6Very low128 Ų128143.9 Ų143.983%0.83182%0.818SS**  trans-100.7153.9-159.537.5-36.2000116.2
549Q27.9Very low31.8Very low198 Ų198142.5 Ų142.593%0.92581%0.811SS**  trans-145.6167.4146.8-82.6-14913.600110.2
550A28.7Very low32.1Very low99 Ų99146.3 Ų146.382%0.81881%0.808SS**  trans-133.4155-173.300000112.3
551S30.8Very low32.1Very low132 Ų132144.6 Ų144.692%0.92381%0.809SS**  trans-175.8156.5144.9-161.90000112.7
552G25.8Very low31.7Very low65 Ų65137 Ų13767%0.6781%0.805SS**  trans115.691.5175.600000112.9
553R29.5Very low31.7Very low230 Ų230137.8 Ų137.887%0.86881%0.809SS**  55.3135.778.8-81.7-173.4171.1-109.8-0.7113.6
554L27.1Very low32.8Very low159 Ų159135.2 Ų135.283%0.83280%0.802SS**  cis-135.8169.739.2-69.2159.7000115
555G25.8Very low32.8Very low66 Ų66135.8 Ų135.868%0.6880%0.801SS**  trans-111.5-147.217000000111.6
556P49.9Very low32.6Very low128 Ų128135.9 Ų135.983%0.83180%0.8SS**  cis-114.2-13912.321.94.7000111.7
557T28.8Very low32.6Very low125 Ų125136.2 Ų136.277%0.76780%0.797SS**  cis-149.6-1359.9-35.80000113
558R35Very low32.6Very low232 Ų232135.9 Ų135.988%0.87579%0.793SS**  trans-169.4164.8-162.8-117.1-175.8177.5-171.2-1.4115.1
559E33.6Very low32.2Very low141 Ų141134.8 Ų134.866%0.65979%0.786SS**  trans166164.1139.3-88.7-70.955.900109.4
560R34.6Very low32.4Very low208 Ų208136.1 Ų136.179%0.78578%0.782SS**  cis-157.9130.1-18.5172.1173.4-76.8-126.3-1.4110.5
561G30.1Very low32.4Very low83 Ų83137.9 Ų137.986%0.85678%0.783SS**  trans70.4158.5162.100000117.8
562G24.3Very low32.3Very low80 Ų80134.5 Ų134.583%0.82577%0.769SS**  cis-169.7163.5-5.700000112.5
563L29.9Very low32.7Very low174 Ų174139.3 Ų139.391%0.91178%0.779SS**  trans-105.1177.8172.9-84.3172.7000109.4
564P53.3Low32.8Very low113 Ų113135.6 Ų135.673%0.73477%0.771SS**  cis-136.5-150.217.640-15.1000112.2
565V28.1Very low33.1Very low114 Ų114132 Ų13269%0.69176%0.764SS**  cis-162152.3-0.280.60000110.8
566I28.5Very low33.3Very low142 Ų142134.2 Ų134.273%0.72877%0.769SS**  trans64.2152.1162.5-73.5158.6000115
567E27.5Very low32.4Very low177 Ų177131.9 Ų131.983%0.82777%0.769SS**  cis-141.1161.218.5-156.6148.2-114.400113.9
568G30Very low32.8Very low60 Ų60137.7 Ų137.762%0.61978%0.777SS**  trans-146.9164151.200000107.3
569P46.1Very low32.3Very low104 Ų104130.2 Ų130.268%0.67577%0.771SS**  -162.1165.498.541-22.4000118.4
570R33Very low32.3Very low227 Ų227134.9 Ų134.986%0.85778%0.783SS**  trans65.8156.8145.9-69.5158.3-165.5-174.42.2117.1
571T27.8Very low32.2Very low135 Ų135132.6 Ų132.683%0.82879%0.785SS**  cis-156.5158.7-5.76.60000107.1
572G29Very low32.3Very low61 Ų61132.1 Ų132.163%0.62978%0.781SS**  cis141.3152.6-1.500000111.7
573L34.3Very low33.1Very low167 Ų167135 Ų13587%0.87479%0.785SS**  trans69150.8170.4-59.3169.7000116.9
574E31.7Very low33Very low151 Ų151132 Ų13271%0.70678%0.779SS**  cis-165.2179.7-31.3-127.9-71.3139.700108.4
575A32.8Very low32Very low84 Ų84137.3 Ų137.369%0.69478%0.784SS**  trans71.9148.2155.700000120.4
576S31.8Very low31.9Very low112 Ų112142.9 Ų142.978%0.78379%0.793SS**  cis-168.3142.7-42.3-121.80000109.5
577G29.3Very low31.7Very low80 Ų80142 Ų14283%0.82580%0.798SS**  trans179.794.1177.100000112.9
578R36.9Very low31.7Very low247 Ų247139.4 Ų139.493%0.93280%0.799SS**  trans-116.1149.3-175.8-70.6-175.5-179.6-93.17113
579G26.3Very low31.6Very low74 Ų74148.5 Ų148.576%0.76382%0.815SS**  trans160.4148.4143.100000114.1
580R33.4Very low30.6Very low240 Ų240146.7 Ų146.791%0.90682%0.816SS**  cis-155.3172.4-34.6-147.2-175.3-170-92.83.8107.7
581L31.1Very low30.4Very low159 Ų159147.2 Ų147.283%0.83282%0.817SS**  trans-66.8147.2178.8-61.6158.7000112.5
582G33.8Very low30.3Very low74 Ų74145 Ų14576%0.76381%0.812SS**  trans-105.2-174.8176.600000115
583P40.6Very low30.3Very low141 Ų141149.7 Ų149.792%0.91682%0.822SS**  trans-119.6-171.5176.340.2-27.2000114.5
584S28Very low30.3Very low111 Ų111149.5 Ų149.578%0.77682%0.817SS**  trans-127.1178-163.81790000114
585R31.7Very low30.8Very low224 Ų224148 Ų14885%0.84582%0.82SS**  trans86.4149.9177.8-50.5168.8-173.9-95.42.1113.8
586R25.6Very low30.7Very low230 Ų230146.8 Ų146.887%0.86882%0.816SS**  cis-142.8164.217.3-165.8179.5-66.3-119.14.2112
587C24.7Very low30.7Very low124 Ų124150.1 Ų150.184%0.83882%0.824SS**  trans-104.9170.4-17126.50000115.2
588S28.4Very low30.8Very low122 Ų122151.1 Ų151.185%0.85383%0.825SS**  trans-144.1158.3150.864.90000113
589R26.1Very low30.4Very low251 Ų251145 Ų14595%0.94782%0.82SS**  trans-69.1168.2-173.4-60.6159.1167.7179.1-7.1112.8
590G26.6Very low30.5Very low67 Ų67147.1 Ų147.169%0.69182%0.822SS**  cis147.2160.3-3.300000113.2
591R27.9Very low30.5Very low237 Ų237144.1 Ų144.189%0.89482%0.823SS**  trans67.6136-167.4-66-174.9170.7-138-1.3114
592A25.7Very low30.5Very low88 Ų88141 Ų14173%0.72781%0.814SS**  cis88.7116.813.800000117.5
593L28.7Very low30.7Very low160 Ų160143.4 Ų143.484%0.83882%0.816SS**  -174.3118.6129.9-99.8162.8000111.9
594E35.7Very low30.2Very low163 Ų163146 Ų14676%0.76281%0.813SS**  trans-81149.4146.6-93.6-70.7149.500107.2G596E594-G596 PolarHBondContact OE2-N 2.91Å
595P41.2Very low30.4Very low119 Ų119146.1 Ų146.177%0.77381%0.813SS**  -150.6147.283.238.5-20.2000117
596G31.8Very low30.6Very low59 Ų59143.4 Ų143.461%0.60881%0.814SS**  trans-75.4164.9160.400000114.6E594E594-G596 PolarHBondContact OE2-N 2.91Å
597L30.8Very low30.9Very low182 Ų182140.7 Ų140.795%0.95381%0.812SS**  trans-130.1140.3163.1-77.1175.5000109.1
598A32Very low31.4Very low101 Ų101141.7 Ų141.784%0.83581%0.807SS**  trans-104.7145.5173.600000110.6
599S27.4Very low31.5Very low120 Ų120140.2 Ų140.284%0.83980%0.797SS**  trans-152.8141158.4-168.90000110
600C29.8Very low32Very low117 Ų117135.7 Ų135.779%0.79179%0.79SS**  trans-105.8137.2-176.4-49.40000109.9
601L32.8Very low32.4Very low178 Ų178140.6 Ų140.693%0.93280%0.795SS**  trans-141.4150.8157.1-76.7-177.6000109.8
602S30.7Very low32.7Very low93 Ų93140 Ų14065%0.6579%0.794SS**PPolyproline II helixtrans-83.2155.7-17787.60000112K604S602-K604 PolarHBondContact O-N 3.47Å
603P38.9Very low33.2Very low124 Ų124143 Ų14381%0.80580%0.798SS**PPolyproline II helixtrans-64.1131.115130-31.5000108.3
604K29.8Very low33.7Very low195 Ų195139.3 Ų139.385%0.84879%0.785SS**PPolyproline II helixtrans-89.4167.5158.7-79.8-176.9174.2-178.80108.7S602 L606S602-K604 PolarHBondContact O-N 3.47Å; K604-L606 PolarHBondContact O-N 3Å
605C31.6Very low33.9Very low115 Ų115140.7 Ų140.778%0.77779%0.792SS**PPolyproline II helixtrans-51.2133.2172.9-46.20000111.3
606L35.9Very low33.8Very low167 Ų167141.8 Ų141.887%0.87479%0.791SS**  trans-103.286.6148.8-88.9169.5000106.7K604 I608K604-L606 PolarHBondContact O-N 3Å; L606-I608 PolarHBondContact O-N 3.42Å
607E31.7Very low34.4Very low173 Ų173148.4 Ų148.481%0.80881%0.806SS**  trans-73.4104.9169.3-174.9164.9-140.700106.8S609E607-S609 PolarHBondContact O-N 3.28Å
608I36.2Very low34.6Very low144 Ų144147.9 Ų147.974%0.73880%0.799SS**  trans-8899.3176.3-55.2178.2000106.9L606 I610L606-I608 PolarHBondContact O-N 3.42Å; I608-I610 PolarHBondContact O-N 3.14Å
609S30.8Very low34.7Very low92 Ų92151.7 Ų151.764%0.64380%0.8SS**  trans-58.9108.9167.4-55.70000109.1E607E607-S609 PolarHBondContact O-N 3.28Å
610I36.3Very low35Very low156 Ų156150.8 Ų150.880%0.880%0.799SS**  trans-90.796.1159.8-50.2178.9000104.7I608 Y612I608-I610 PolarHBondContact O-N 3.14Å; I610-Y612 PolarHBondContact O-N 3.45Å
611E34.8Very low34.9Very low170 Ų170149.2 Ų149.279%0.79480%0.803SS**  trans-67.4133.3-179.3-68.2179.6155.600109.6D613E611-D613 PolarHBondContact O-N 2.92Å
612Y33.1Very low34.6Very low223 Ų223147.1 Ų147.188%0.87580%0.803SS**  trans-83.798.5179.8-138.8-91.8000107I610I610-Y612 PolarHBondContact O-N 3.45Å
613D37.5Very low34.5Very low153 Ų153146.1 Ų146.182%0.81881%0.808SS**  trans-95126.3176.5-147.7-3.8000109.2E611E611-D613 PolarHBondContact O-N 2.92Å
614S38.3Very low34Very low81 Ų81143.9 Ų143.957%0.56681%0.807SS**  trans-13696.9-169.4-66.30000110.4
615E40.7Very low34.1Very low192 Ų192142.2 Ų142.290%0.89781%0.806SS**  trans-103.6101.3168.1-65.8-165.7134.800109.7
616D39.1Very low33.8Very low142 Ų142141.8 Ų141.876%0.75980%0.804SS**  trans-84.1125.8162.6-84.3-60.1000109.6
617E44.9Very low33.6Very low199 Ų199142 Ų14293%0.9380%0.804SS**  trans-144.2158.9145.9-83.2-140.6132.200110.2
618Q35Very low33.4Very low170 Ų170139.2 Ų139.279%0.79480%0.799SS**  trans-123.1171.3-157.9-61.4-176.83.100114.7
619E33.3Very low32.9Very low182 Ų182137.9 Ų137.985%0.8580%0.802SS**  trans76.9123.6159.1-63.4-152.1119.900122
620A33.9Very low32.7Very low101 Ų101139 Ų13984%0.83581%0.81SS**  trans52.9107.9132.800000121.2
621G27.6Very low32.3Very low84 Ų84136.5 Ų136.587%0.86681%0.806SS**  trans-156.1112.7161.300000113.2
622S26.8Very low32Very low134 Ų134138.8 Ų138.894%0.93781%0.808SS**  trans-105.4129.7176.4-177.60000111.3
623G29Very low32.2Very low72 Ų72134.3 Ų134.374%0.74281%0.807SS**  trans177.2133.9174.700000114.4
624G28.5Very low31.8Very low76 Ų76130.6 Ų130.678%0.78481%0.805SS**  trans-93-156.2166.100000111.9
625I31.1Very low31.5Very low161 Ų161135.2 Ų135.283%0.82682%0.823SS**  cis-158.5159.211.2-32.8171.7000108.8
626S25.3Very low31Very low106 Ų106129.9 Ų129.974%0.74182%0.819SS**  trans77.4152.1167.4-45.90000114.6
627I31.7Very low30.7Very low171 Ų171132.2 Ų132.288%0.87783%0.825SS**  cis-125.8166.139-68161.4000112.9
628T28.3Very low29.9Very low115 Ų115126.9 Ų126.971%0.70682%0.815SS**  trans-107.6157.6-169.651.60000115.7
629S25.1Very low29.7Very low115 Ų115130.6 Ų130.680%0.80482%0.822SS**  trans74.7159.9160.984.20000117.4
630S26.4Very low29.6Very low117 Ų117125.3 Ų125.382%0.81882%0.817SS**  cis-147.6176.67.5-154.60000114.7
631C27.3Very low29.4Very low103 Ų103127.4 Ų127.470%0.69682%0.819SS**  trans-79.8155.7-162-68.10000118.8
632Y28.4Very low29.4Very low218 Ų218127.9 Ų127.986%0.85582%0.815SS**  trans25.4137.9141.5-65.3-78.7000122.6
633P37.6Very low29.6Very low129 Ų129127.8 Ų127.884%0.83881%0.809SS**  trans-81.6163.4157.636.9-34.2000112.3
634G29.5Very low29.8Very low75 Ų75131.5 Ų131.577%0.77382%0.817SS**  trans-156.914417100000112.4
635D32.9Very low29.8Very low178 Ų178131.5 Ų131.595%0.95282%0.817SS**  trans-87.3154.8-176.6-60.8-64000113.2
636G29.9Very low29.8Very low79 Ų79135 Ų13581%0.81482%0.82SS**  trans172.1114.1172.500000114.4
637E31.4Very low30.1Very low191 Ų191134.2 Ų134.289%0.89381%0.814SS**  trans-78.1152.4-172.5-55.7160.9101.100114.7
638A29.7Very low30Very low87 Ų87138.1 Ų138.172%0.71982%0.818SS**  168.5114.5119.700000116.6
639W30.8Very low30Very low248 Ų248136 Ų13694%0.93982%0.819SS**  trans34.2118.8140.1-60.887.4000124.5
640G30.3Very low31.1Very low72 Ų72136.5 Ų136.574%0.74282%0.82SS**  trans75.5160.6136.100000119
641T30Very low32.4Very low144 Ų144136.2 Ų136.288%0.88382%0.815SS**  cis-158.4162.6-4.9-49.60000107.8
642A27.7Very low32.5Very low95 Ų95140.9 Ų140.979%0.78582%0.823SS**  trans-125.497.9178.600000114.9
643T30.1Very low32.6Very low131 Ų131134 Ų13480%0.80481%0.811SS**SBendtrans-154.1131.4148.929.50000110.6
644V33.7Very low32.1Very low151 Ų151135.2 Ų135.292%0.91581%0.811SS**  trans43.7115.8158.1-170.30000119.4
645G29.4Very low32.2Very low76 Ų76137.1 Ų137.178%0.78481%0.812SS**  trans-17010.5176.600000123.5
646R30.1Very low31.9Very low235 Ų235132.1 Ų132.189%0.88780%0.803SS**  trans29.7123.7164.7-141.8-162.3-168.4-1456.2122.7
647S31.2Very low32.9Very low88 Ų88134.8 Ų134.862%0.61581%0.806SS**  trans80.2130.5136.753.50000125.4
648R30.7Very low33.1Very low254 Ų254133.6 Ų133.696%0.95880%0.798SS**  trans59.8141.8155.6-66.9-178.2172-162.2-2.1117.3
649G28Very low34.1Very low71 Ų71135.5 Ų135.573%0.73280%0.802SS**  cis167.9175.610.100000109.7
650P47.7Very low33.9Very low125 Ų125132.6 Ų132.681%0.81279%0.793SS**  trans-123.1-158.4-159.538.3-20.6000113.9
651P55.1Low35Very low110 Ų110134.9 Ų134.971%0.71479%0.794SS**  -130.2-155.6-64.839.3-21.5000112.4
652K27.8Very low34.8Very low202 Ų202137.5 Ų137.588%0.87879%0.788SS**  trans107.5158.6161.6-65.4-179175.7-179.90117.5
653A30.9Very low34.8Very low72 Ų72139.5 Ų139.560%0.59579%0.785SS**  cis-178.8152.5-32.700000112.4
654N28.2Very low35.7Very low155 Ų155139.3 Ų139.383%0.82979%0.786SS**  trans66.9160.4154.6-55.8-11.3000118.4
655S29.8Very low35.6Very low116 Ų116136.7 Ų136.781%0.81178%0.78SS**  cis-154.6172.53.75.50000112.5
656G27.4Very low35.3Very low73 Ų73143.7 Ų143.775%0.75378%0.783SS**  trans-84.3-146.9-179.600000116.4
657P51.8Low35.2Very low134 Ų134140.3 Ų140.387%0.8778%0.777SS**  cis-138.8-16220.343.2-22.8000117.1
658K35.6Very low35Very low167 Ų167145.9 Ų145.973%0.72679%0.79SS**  trans-105.5177.2176.9-62.2-177.8176.6-179.50113.5
659P50.8Low34.7Very low126 Ų126137.7 Ų137.782%0.81879%0.785SS**  -149.6-170100.939.1-20.3000118.1
660Y24.7Very low34.5Very low188 Ų188143.3 Ų143.374%0.73779%0.792SS**  trans-95.6-165.8-178.2-77.3-86.6000112.7
661P53.4Low34.9Very low119 Ų119142.1 Ų142.177%0.77379%0.785SS**  cis-124.4-170.40.442.9-25.2000114.5
662R26.9Very low33.6Very low199 Ų199145.6 Ų145.675%0.75179%0.791SS**  cis110.6127.4-3.2-145.1-160.9-168.9-102.43.5118.1
663L27.3Very low33.7Very low138 Ų138146.6 Ų146.672%0.72379%0.79SS**  trans74.2162.1169.2-64.5174.4000119.1
664P49.6Very low33.5Very low126 Ų126155.2 Ų155.282%0.81881%0.807SS**  cis-128.7-162.4-37.737.9-19.9000112.7
665A30.5Very low33.5Very low97 Ų97150.8 Ų150.880%0.80280%0.798SS**  trans-129.4157.1-173.600000114.9
666W24.6Very low33.5Very low222 Ų222157 Ų15784%0.84180%0.803SS**  trans-164.7145.1153.967.7-62.1000114.6
667E26.6Very low33.7Very low165 Ų165158.4 Ų158.477%0.77180%0.802SS**  trans53.7178.4153.2-63.3-149.694.500124.6
668K27.6Very low32.8Very low204 Ų204155.9 Ų155.989%0.88779%0.792SS**  trans-101.8153-149.9-57.9175.6-179.7175.20114.4
669G24Very low32.6Very low82 Ų82155 Ų15585%0.84580%0.801SS**  trans176.7102162.300000115.5
670E23.8Very low31.5Very low189 Ų189152.6 Ų152.688%0.88380%0.799SS**  trans-102.8171.6155.8-115.8-159.717100108.5
671P56.1Low31.7Very low101 Ų101155.7 Ų155.766%0.65681%0.809SS**  cis-131.8-176-2039.2-23.5000112.3
672E27.3Very low30.5Very low182 Ų182154.4 Ų154.485%0.8581%0.809SS**  trans-178.6170.5132.4-101.9-113.268.200114.8
673R30.8Very low30.6Very low223 Ų223153.5 Ų153.584%0.84281%0.81SS**  trans-111.1153.4-164.1-69.8173.1166-100.33.4115.6
674R26.8Very low30.5Very low254 Ų254154.1 Ų154.196%0.95881%0.809SS**  trans-162.5131.7148.4-151.9174.3-62.4-130.5-1.1110.4
675G28.4Very low30.2Very low62 Ų62153.9 Ų153.964%0.63981%0.808SS**  cis159.5145.1-13.900000112.6
676R29Very low29.9Very low246 Ų246156.7 Ų156.793%0.92881%0.808SS**  trans70.8162.4169.9-60.3177-174.6-90.4-0.6117.3
677S31.2Very low30.1Very low102 Ų102151.4 Ų151.471%0.71381%0.806SS**  cis177.4152.7-40.257.70000109.9
678A34.3Very low30.1Very low82 Ų82155 Ų15568%0.67881%0.812SS**  cis-177.7-172.8-18.500000109.6
679T30.8Very low30.1Very low149 Ų149148.1 Ų148.191%0.91479%0.793SS**  trans83.7140.9165.278.40000118.6
680G28.6Very low30.2Very low74 Ų74149.7 Ų149.776%0.76379%0.786SS**  cis173.7169.7-11.400000115.8
681R28.2Very low30.4Very low254 Ų254146.8 Ų146.896%0.95877%0.773SS**  trans75.1109169.2-81.2-170.4168.5-150.5-2.2122.4
682A27.6Very low28.9Very low92 Ų92147.3 Ų147.376%0.7678%0.775SS**  66.9107.8117.100000124.6
683K29.2Very low29.1Very low180 Ų180141.8 Ų141.878%0.78377%0.766SS**  trans48.8125.9134.8-86.4-174.5157.1-122.20124.2
684E24.6Very low29.1Very low150 Ų150140.6 Ų140.670%0.70177%0.77SS**  trans70.8155.7140.5-73.3179.291.400120.5
685P43.9Very low29.1Very low121 Ų121132.7 Ų132.779%0.78676%0.759SS**  cis-133.8-168.1-16.133.8-11.6000115.9
686L24.8Very low29.2Very low156 Ų156141.6 Ų141.682%0.81777%0.773SS**  trans-59.7144.1-177.7173.870.8000118.7
687S27.4Very low29.7Very low112 Ų112132.8 Ų132.878%0.78376%0.76SS**  trans175.6117.1130.2-81.70000119.2
688R27.2Very low29.8Very low240 Ų240137.1 Ų137.191%0.90677%0.769SS**  trans12.7131.9135.8-176.3-168.9-65.5169.6-1.5121.9
689A27.2Very low29.6Very low60 Ų60140.9 Ų140.950%0.49678%0.777SS.*  172.9160.6122.100000115.4
690T27.6Very low29.7Very low114 Ų114137.6 Ų137.670%0.69977%0.773SS**  trans-112.5-170.9-170.9-5.20000114.4R715T690-R715 PolarHBondContact O-NH1 2.81Å
691E26.8Very low29.8Very low128 Ų128140 Ų14060%0.59878%0.778SS**  trans77.6144.7167.2-56.1-177.1119.600116.9R715E691-R715 IonicContact OE2-NH1 3.55Å
692T26Very low29.8Very low113 Ų113131.4 Ų131.469%0.69377%0.768SS**  cis-154.6-175-6.29.80000109.8
693G29.7Very low30Very low66 Ų66137.8 Ų137.868%0.6877%0.773SS**  trans-91.4-150.5-178.800000116.6
694E31Very low30Very low198 Ų198139.5 Ų139.593%0.92577%0.774SS**  trans79.2157.2-170.1-57.2-148.499.600115.1
695A27.6Very low30.1Very low87 Ų87135.7 Ų135.772%0.71978%0.775SS**  cis-144148.715.500000116.4
696R31.3Very low30Very low249 Ų249135.2 Ų135.294%0.9477%0.772SS**  trans-67135.4148.7174.1-164.5-162.7-178.76.9107.8
697G38.6Very low30.2Very low62 Ų62134.9 Ų134.964%0.63977%0.766SS**  cis156.4154.44.300000107
698Q32.7Very low30.4Very low193 Ų193137.1 Ų137.190%0.90276%0.762SS**  trans-161.4142.1175-139.9158.5106.200115.7
699D31.1Very low30.4Very low161 Ų161137.3 Ų137.386%0.86176%0.763SS**  trans-81.7169.2172-53.5-82.1000112.8
700G32Very low30.4Very low79 Ų79137.7 Ų137.781%0.81477%0.772SS**  trans-111.4117.9179.500000114.7
701S31.8Very low30.4Very low124 Ų124138.8 Ų138.887%0.86778%0.779SS**  trans-167.786.6133.263.60000114.6
702G28.6Very low30.3Very low74 Ų74143 Ų14376%0.76379%0.789SS**  trans37.5125.3145.600000124
703R32.1Very low30.4Very low227 Ų227143.7 Ų143.786%0.85779%0.793SS**  -161.2162.1122.2-108166.7-168.6-125.71.9113.2
704R27.2Very low30.1Very low215 Ų215148.2 Ų148.281%0.81180%0.8SS**  trans-35.1139.8-175.1-53.6170.5-132.8-116-0.8117.1
705G27.9Very low29.8Very low70 Ų70145.9 Ų145.972%0.72278%0.783SS**  trans-88.2-145.6156.600000112
706P41.3Very low30.1Very low112 Ų112146.4 Ų146.473%0.72778%0.779SS**  cis-142.4-169.71.642.3-22.9000115.9
707Q29.3Very low30Very low148 Ų148139.2 Ų139.269%0.69277%0.767SS**  trans76.8150.6162.9-65.4-179.227.600117.4
708K31Very low29.7Very low160 Ų160142 Ų14270%0.69677%0.772SS**  cis-157.7140.74-129.1161.7-174.6153.20111.8
709R27.6Very low29.6Very low244 Ų244137.6 Ų137.692%0.92177%0.769SS**  trans42.8134.5154.9-64.7179.1176.1-167.3-1.9120.5
710G26.9Very low29.5Very low67 Ų67139.2 Ų139.269%0.69177%0.771SS**  cis150.1-179.6-7.200000114.3
711V27.4Very low29.4Very low138 Ų138143.6 Ų143.684%0.83678%0.775SS**  trans79.2127.8169.3-174.80000116.8
712R25.9Very low29.1Very low216 Ų216143.5 Ų143.582%0.81577%0.769SS**  cis-165.1138.2-18.8-107.9-171.4-165.2-141.52.6110.5
713V27Very low29.2Very low127 Ų127146 Ų14677%0.7777%0.771SS**  trans64.8156.7139.3175.30000120.1
714L25Very low29Very low161 Ų161139.7 Ų139.784%0.84377%0.768SS**  -166.7164.5-63.8-135.274.6000109.7
715R24.6Very low29Very low149 Ų149140.7 Ų140.756%0.56277%0.772SS**  trans-124.1159174-95.1-91.1-177.3101.77.1111.9T690 E691T690-R715 PolarHBondContact O-NH1 2.81Å; E691-R715 IonicContact OE2-NH1 3.55Å
716P33.7Very low29.1Very low98 Ų98141.8 Ų141.864%0.63677%0.769SS**  trans-100.9-178.4179.240-32.4000113.7
717S28.2Very low28.9Very low98 Ų98142.1 Ų142.169%0.68577%0.771SS**  trans-134.6142.4-164.1-165.80000116.9
718T33.4Very low29Very low121 Ų121139.3 Ų139.374%0.74277%0.768SS**  trans28.1130.5146.4-41.70000124
719A30.3Very low29.3Very low101 Ų101138.4 Ų138.484%0.83577%0.766SS**  trans-156168.514800000111
720E28.3Very low29.8Very low195 Ų195132.3 Ų132.391%0.91176%0.756SS**  trans-79156.4-170.3-58.1175105.500116
721L30.1Very low30.5Very low171 Ų171135.7 Ų135.790%0.89576%0.757SS**  trans-163.1166.5153.9-112.3-179.9000113.8
722V25.3Very low31.5Very low122 Ų122132 Ų13274%0.73974%0.742SS**PPolyproline II helixtrans-78.3142.6-175.4178.60000112.9A724V722-A724 PolarHBondContact O-N 3.26Å
723P30.5Very low32.6Very low125 Ų125125 Ų12581%0.81272%0.716SS**PPolyproline II helixtrans-70.5122.9171-17.431.9000113.1
724A27.4Very low33.7Very low95 Ų95126 Ų12679%0.78571%0.712SS**PPolyproline II helixtrans-79.3159.5173.800000112.7V722V722-A724 PolarHBondContact O-N 3.26Å
725R28.7Very low35.1Very low236 Ų236127.3 Ų127.389%0.89171%0.713SS**PPolyproline II helixtrans-61.3140.1168-73179.9175.2167.6-2.2110.1
726S29.4Very low37.1Very low94 Ų94123.5 Ų123.566%0.65770%0.704SS**PPolyproline II helixtrans-79.8137.3-176.750.10000112.8S728S726-S728 PolarHBondContact O-N 3.14Å
727P36.4Very low39Very low119 Ų119121.7 Ų121.777%0.77369%0.692SS**  trans-71.5112.6171.729.8-32.9000109.5
728S31.6Very low41.6Very low89 Ų89119.8 Ų119.862%0.62268%0.676SS**  trans-145.5-12.4-178.8-61.50000115.1S726S726-S728 PolarHBondContact O-N 3.14Å
729E37.8Very low44.3Very low141 Ų141114.4 Ų114.466%0.65964%0.642SS**SBendtrans-85.5-26.3-176-67.5169.7146.100112.9L731 A732 Y733E729-L731 PolarHBondContact O-N 3.19Å; E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.37Å; E729-Y733 HydrophobicContact CB-CE2 4.33Å; E729-Y733 VanDerWaalsContact O-CD2 3.27Å; E729-Y733 WeakPolarHBondContact O-CD2 3.31Å; E729-Y733 WeakPolarHBondContact O-CE2 3.5Å
730T37.9Very low47.2Very low115 Ų115109.8 Ų109.871%0.70660%0.603SS**THydrogen-bonded Turntrans-60.8-19.7-173.7-290000114.5
731L42.4Very low50.3Low138 Ų138100.7 Ų100.772%0.72356%0.561SS**THydrogen-bonded Turntrans-91.3-12.6177.4-68.8178.6000114.1E729 Y733E729-L731 PolarHBondContact O-N 3.19Å; L731-Y733 VanDerWaalsContact C-N 3.35Å; L731-Y733 PolarHBondContact O-N 3Å
732A47.6Very low53.4Low62 Ų6292.8 Ų92.851%0.51252%0.52SS..THydrogen-bonded Turntrans-70.9-30.2-178.700000113E729 L736E729-A732 WeakPolarHBondContact O-CB 3.41Å; E729-A732 PolarHBondContact O-N 3.37Å; A732-L736 WeakPolarHBondContact O-CD1 3.38Å
733Y50.2Low56.6Low69 Ų6987.1 Ų87.127%0.27149%0.486SS..G310 helixtrans-86.5-11.2-167.7-58-75.5000115.2E729 L731 H735 L736 F774 Q784E729-Y733 HydrophobicContact CB-CE2 4.33Å; E729-Y733 VanDerWaalsContact O-CD2 3.27Å; E729-Y733 WeakPolarHBondContact O-CD2 3.31Å; E729-Y733 WeakPolarHBondContact O-CE2 3.5Å; L731-Y733 VanDerWaalsContact C-N 3.35Å; L731-Y733 PolarHBondContact O-N 3Å; Y733-H735 PolarHBondContact O-N 2.92Å; Y733-L736 HydrophobicContact CD1-CD1 4.35Å; Y733-L736 PolarHBondContact O-N 2.7Å; Y733-F774 HydrophobicContact CD1-CB 4.4Å; Y733-Q784 PolarHBondContact OH-OE1 3.48Å
734Q50Low59.5Low146 Ų14684.2 Ų84.268%0.68246%0.463SS*.G310 helixtrans-70.90-173.7-66-158.577.700115.4
735H53.3Low62.6Low190 Ų19084.7 Ų84.788%0.8845%0.447SS*.G310 helixtrans-127.56.1178.2-83.8-65.2000114.9Y733Y733-H735 PolarHBondContact O-N 2.92Å
736L66Low65.6Low69 Ų6977.8 Ų77.836%0.36143%0.428SS..SBendtrans-84.2149.4170.8-7494.5000110.8A732 Y733 V738A732-L736 WeakPolarHBondContact O-CD1 3.38Å; Y733-L736 HydrophobicContact CD1-CD1 4.35Å; Y733-L736 PolarHBondContact O-N 2.7Å; L736-V738 PolarHBondContact O-N 2.72Å
737P73.8Confident68.6Low59 Ų5974.2 Ų74.238%0.38340%0.4SS..  trans-62.5134.2173.626.2-33.1000110.6G775 E845P737-G775 PolarHBondContact O-N 2.91Å; P737-E845 WeakPolarHBondContact CB-OE1 3.5Å; P737-E845 VanDerWaalsContact CG-OE1 3.28Å; P737-E845 WeakPolarHBondContact CG-OE1 3.29Å; P737-E845 WeakPolarHBondContact CG-OE2 3.39Å
738V82.8Confident71.2Confident59 Ų5971.7 Ų71.736%0.35838%0.38SS..EExtended strand (participates in β ladder)trans-89107.9175.8-173.60000108.6L736 K772 F774 R810L736-V738 PolarHBondContact O-N 2.72Å; V738-K772 HydrophobicContact CG1-CB 4.04Å; V738-K772 HydrophobicContact CG1-CG 4.25Å; V738-F774 HydrophobicContact CG1-CE1 4.31Å; V738-F774 HydrophobicContact CG2-CD1 3.99Å; V738-F774 HydrophobicContact CG2-CE1 3.88Å; V738-R810 PolarHBondContact O-NH1 3.35Å
739R90.2Very high73.9Confident8 Ų867.6 Ų67.63%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-91149.9177-61161.874176.36.7109F741 V773 G775 D776 E801 E845R739-F741 HydrophobicContact CB-CD2 4.16Å; R739-F741 HydrophobicContact CB-CE2 3.75Å; R739-V773 HydrophobicContact CB-CB 4.36Å; R739-V773 PolarHBondContact N-O 3.11Å; R739-V773 PolarHBondContact O-N 2.93Å; R739-G775 VanDerWaalsContact CD-O 3.3Å; R739-G775 WeakPolarHBondContact CD-O 3.43Å; R739-G775 PolarHBondContact NH1-O 2.82Å; R739-D776 IonicContact NH1-OD1 2.73Å; R739-E801 IonicContact CZ-OE1 3.95Å; R739-E801 IonicContact CZ-OE2 2.69Å; R739-E801 IonicContact NE-OE1 3.96Å; R739-E801 PolarHBondContact NE-OE1 3.19Å; R739-E801 IonicContact NE-OE2 3.03Å; R739-E801 VanDerWaalsContact NH2-CD 3.32Å; R739-E801 IonicContact NH2-OE1 3.32Å; R739-E801 PolarHBondContact NH2-OE1 3.16Å; R739-E801 IonicContact NH2-OE2 3.83Å; R739-E801 PolarHBondContact NH2-OE2 3.47Å; R739-E845 HydrophobicContact CG-CG 4.32Å
740I91.8Very high76.2Confident3 Ų366.4 Ų66.42%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-105.3125.6179.7-56.1-59000108.4I770 V802 R810 L813 L814I740-I770 HydrophobicContact CG2-CG2 3.78Å; I740-V802 HydrophobicContact CG2-CB 4.38Å; I740-V802 PolarHBondContact O-N 3.17Å; I740-R810 HydrophobicContact CD1-CB 4.27Å; I740-R810 HydrophobicContact CG1-CB 3.88Å; I740-R810 HydrophobicContact CG1-CG 3.81Å; I740-L813 HydrophobicContact CG2-CB 4.38Å; I740-L813 HydrophobicContact CG2-CD1 3.93Å; I740-L814 HydrophobicContact CD1-CD1 3.84Å; I740-L814 HydrophobicContact CD1-CD2 3.9Å; I740-L814 HydrophobicContact CD1-CG 3.79Å
741F93.7Very high78.5Confident4 Ų464.9 Ų64.92%0.01835%0.348CS..EExtended strand (participates in β ladder)trans-121.2151.7176.9-80-111.2000110R739 I770 L771 V773 Y783 V799 A800 E801R739-F741 HydrophobicContact CB-CD2 4.16Å; R739-F741 HydrophobicContact CB-CE2 3.75Å; F741-I770 WeakPolarHBondContact O-CA 3.19Å; F741-L771 HydrophobicContact CB-CB 4.49Å; F741-L771 PolarHBondContact N-O 2.74Å; F741-L771 PolarHBondContact O-N 3.07Å; F741-V773 HydrophobicContact CB-CG2 4.13Å; F741-V773 HydrophobicContact CD1-CG2 4.5Å; F741-V773 HydrophobicContact CD2-CB 3.57Å; F741-V773 HydrophobicContact CD2-CG1 4.26Å; F741-V773 HydrophobicContact CD2-CG2 3.41Å; F741-V773 VanDerWaalsContact CD2-CG2 3.41Å; F741-V773 HydrophobicContact CE2-CB 3.72Å; F741-V773 HydrophobicContact CE2-CG1 3.9Å; F741-V773 HydrophobicContact CE2-CG2 3.88Å; F741-V773 HydrophobicContact CG-CB 4.42Å; F741-V773 HydrophobicContact CG-CG2 3.77Å; F741-Y783 HydrophobicContact CD1-CE2 4.5Å; F741-Y783 HydrophobicContact CE1-CD2 4.32Å; F741-Y783 AromaticContact CE1-CE2 3.71Å; F741-Y783 HydrophobicContact CE1-CE2 3.71Å; F741-Y783 AromaticContact CE1-CZ 3.85Å; F741-Y783 HydrophobicContact CZ-CE1 4.1Å; F741-Y783 HydrophobicContact CZ-CE2 4.09Å; F741-Y783 AromaticContact CZ-CZ 3.81Å; F741-V799 HydrophobicContact CB-CB 4.4Å; F741-V799 HydrophobicContact CD1-CB 4Å; F741-V799 HydrophobicContact CD1-CG2 3.7Å; F741-V799 HydrophobicContact CE1-CG2 4.25Å; F741-A800 CarbonylContact C-O 3.55Å; F741-A800 WeakPolarHBondContact CA-O 3.48Å; F741-A800 WeakPolarHBondContact CB-O 3.43Å; F741-A800 WeakPolarHBondContact CD1-O 3.46Å; F741-E801 HydrophobicContact CD1-CB 4.18Å; F741-E801 HydrophobicContact CD2-CB 4.46Å; F741-E801 HydrophobicContact CD2-CG 4.46Å; F741-E801 HydrophobicContact CE1-CB 3.74Å; F741-E801 HydrophobicContact CE2-CB 4.05Å; F741-E801 HydrophobicContact CE2-CG 3.99Å; F741-E801 HydrophobicContact CZ-CB 3.67Å; F741-E801 HydrophobicContact CZ-CG 4.06Å
742V93.9Very high80.6Confident6 Ų663.1 Ų63.14%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-114.2135.2170.164.90000109Q769 I770 V799 A800 V802 L819 L824V742-Q769 WeakPolarHBondContact CA-O 3.4Å; V742-I770 HydrophobicContact CB-CD1 3.99Å; V742-I770 HydrophobicContact CG2-CD1 4.06Å; V742-V799 CarbonylContact O-C 3.59Å; V742-V799 WeakPolarHBondContact O-CA 3.37Å; V742-A800 HydrophobicContact CG1-CB 4.21Å; V742-A800 PolarHBondContact N-O 2.93Å; V742-A800 PolarHBondContact O-N 2.77Å; V742-V802 HydrophobicContact CB-CG2 3.89Å; V742-V802 HydrophobicContact CG1-CG2 3.74Å; V742-L819 HydrophobicContact CG2-CB 4.37Å; V742-L824 HydrophobicContact CG1-CD1 3.92Å
743A94.1Very high82.2Confident3 Ų361 Ų613%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-71.1129.5172.900000111F765 R766 G768 Q769 L771A743-F765 HydrophobicContact CB-CD2 3.42Å; A743-F765 VanDerWaalsContact CB-CD2 3.42Å; A743-F765 HydrophobicContact CB-CE2 3.74Å; A743-F765 HydrophobicContact CB-CG 4.36Å; A743-R766 WeakPolarHBondContact CB-O 3.3Å; A743-G768 PolarHBondContact O-N 3.16Å; A743-Q769 HydrophobicContact CB-CB 4.45Å; A743-Q769 PolarHBondContact N-O 3.45Å; A743-L771 HydrophobicContact CB-CD1 4.39Å
744L91.2Very high83.6Confident64 Ų6463.7 Ų63.734%0.33534%0.344SS..SBendtrans-85.3-20.9178.7-63.9178.3000112.7M798 A800 L824L744-M798 PolarHBondContact N-O 3.33Å; L744-A800 HydrophobicContact CD1-CB 4.18Å; L744-A800 HydrophobicContact CD2-CB 3.83Å; L744-A800 HydrophobicContact CG-CB 4.11Å; L744-L824 HydrophobicContact CD2-CD1 4.46Å
745F91.4Very high84.9Confident104 Ų10460.2 Ų60.246%0.45633%0.331SS..SBendtrans-149.1163.7-177.2-51.9-69.6000109.6M798F745-M798 HydrophobicContact CB-CE 3.73Å; F745-M798 HydrophobicContact CD2-CE 4.17Å; F745-M798 HydrophobicContact CD2-SD 4.02Å; F745-M798 HydrophobicContact CG-CE 4.35Å
746D91.2Very high85.9Confident91 Ų9157.6 Ų57.649%0.48733%0.331SS..  trans-62.5143166.2-82.4-3.9000111.2R766 E767 M798D746-R766 WeakPolarHBondContact OD1-CA 3.47Å; D746-R766 VanDerWaalsContact OD1-CB 3.27Å; D746-R766 WeakPolarHBondContact OD1-CB 3.45Å; D746-E767 PolarHBondContact OD1-N 2.97Å; D746-M798 WeakPolarHBondContact O-CE 3.29Å
747Y92.3Very high86.6Confident19 Ų1958.7 Ų58.78%0.07534%0.337CS..BIsolated β-bridgetrans-134.5116.9171.8-165.5-116.5000112.5P749 M752 E762 P764 F765 P795 M798Y747-P749 HydrophobicContact CD1-CG 4.13Å; Y747-P749 HydrophobicContact CE1-CB 4.28Å; Y747-P749 HydrophobicContact CE1-CG 3.82Å; Y747-M752 HydrophobicContact CD2-CB 4.45Å; Y747-M752 HydrophobicContact CD2-CE 4.07Å; Y747-M752 HydrophobicContact CE2-CB 4Å; Y747-E762 HydrophobicContact CE1-CB 4.48Å; Y747-E762 WeakPolarHBondContact CE1-OE2 3.45Å; Y747-E762 PolarHBondContact OH-OE2 3.49Å; Y747-P764 VanDerWaalsContact O-CA 3.25Å; Y747-P764 WeakPolarHBondContact O-CA 3.44Å; Y747-F765 VanDerWaalsContact CB-CE2 3.43Å; Y747-F765 VanDerWaalsContact CB-CZ 3.44Å; Y747-F765 AromaticContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CZ 4.13Å; Y747-F765 HydrophobicContact CG-CE1 4.19Å; Y747-F765 HydrophobicContact CG-CE2 4.41Å; Y747-F765 AromaticContact CG-CZ 3.96Å; Y747-F765 HydrophobicContact CG-CZ 3.96Å; Y747-F765 PolarHBondContact N-O 3.41Å; Y747-F765 PolarHBondContact O-N 3.12Å; Y747-F765 VanDerWaalsContact O-O 3.13Å; Y747-P795 HydrophobicContact CD1-CG 4.19Å; Y747-P795 HydrophobicContact CE1-CG 3.64Å; Y747-P795 HydrophobicContact CE2-CG 4.03Å; Y747-M798 HydrophobicContact CD2-CE 4.04Å; Y747-M798 HydrophobicContact CD2-CG 4.37Å
748D91.5Very high87.1Confident66 Ų6656 Ų5635%0.35332%0.319SS..  trans-115.5110167.2168.538000109V750 S751 M752D748-V750 PolarHBondContact O-N 2.99Å; D748-V750 PolarHBondContact OD1-N 3.46Å; D748-S751 PolarHBondContact O-N 3.35Å; D748-S751 VanDerWaalsContact OD2-CB 3.29Å; D748-S751 WeakPolarHBondContact OD2-CB 3.43Å; D748-S751 PolarHBondContact OD2-N 2.84Å; D748-S751 PolarHBondContact OD2-OG 3.35Å; D748-M752 HydrophobicContact CB-CE 4.45Å; D748-M752 VanDerWaalsContact N-CE 3.34Å; D748-M752 PolarHBondContact O-N 3.38Å
749P89.4Confident86.9Confident3 Ų355.3 Ų55.32%0.01932%0.324CS..Hα-helixtrans-58.2-31.5179.1-23.832.3000113.8Y747 S751 S753 A758 E762 P764Y747-P749 HydrophobicContact CD1-CG 4.13Å; Y747-P749 HydrophobicContact CE1-CB 4.28Å; Y747-P749 HydrophobicContact CE1-CG 3.82Å; P749-S751 VanDerWaalsContact C-N 3.31Å; P749-S751 PolarHBondContact O-N 2.92Å; P749-S753 WeakPolarHBondContact O-CB 3.27Å; P749-S753 PolarHBondContact O-N 3.16Å; P749-A758 HydrophobicContact CB-CB 3.71Å; P749-A758 WeakPolarHBondContact CB-O 3.37Å; P749-E762 HydrophobicContact CB-CB 3.91Å; P749-E762 HydrophobicContact CG-CB 3.79Å; P749-P764 HydrophobicContact CG-CB 4.36Å
750V85.5Confident86.5Confident117 Ų11763.9 Ų63.971%0.70937%0.365SS*.Hα-helixtrans-71.4-26.9-173.6-176.50000112.2D748D748-V750 PolarHBondContact O-N 2.99Å; D748-V750 PolarHBondContact OD1-N 3.46Å
751S86.9Confident86.3Confident83 Ų8368.7 Ų68.758%0.5839%0.387SS*.Hα-helixtrans-107.1-19.9178.757.40000114.7D748 P749D748-S751 PolarHBondContact O-N 3.35Å; D748-S751 VanDerWaalsContact OD2-CB 3.29Å; D748-S751 WeakPolarHBondContact OD2-CB 3.43Å; D748-S751 PolarHBondContact OD2-N 2.84Å; D748-S751 PolarHBondContact OD2-OG 3.35Å; P749-S751 VanDerWaalsContact C-N 3.31Å; P749-S751 PolarHBondContact O-N 2.92Å
752M85.1Confident86.2Confident101 Ų10169 Ų6950%0.49839%0.389SS..Hα-helixtrans-119.8-15.2-174.1-68.2-171.6-74.700116.1Y747 D748Y747-M752 HydrophobicContact CD2-CB 4.45Å; Y747-M752 HydrophobicContact CD2-CE 4.07Å; Y747-M752 HydrophobicContact CE2-CB 4Å; D748-M752 HydrophobicContact CB-CE 4.45Å; D748-M752 VanDerWaalsContact N-CE 3.34Å; D748-M752 PolarHBondContact O-N 3.38Å
753S82.6Confident86.1Confident18 Ų1868.9 Ų68.913%0.12639%0.388CS..  trans-81.7142.5170.8-173.10000111P749 N755 A758 E762P749-S753 WeakPolarHBondContact O-CB 3.27Å; P749-S753 PolarHBondContact O-N 3.16Å; S753-N755 PolarHBondContact O-N 3.34Å; S753-N755 PolarHBondContact OG-N 2.91Å; S753-N755 PolarHBondContact OG-ND2 2.87Å; S753-A758 WeakPolarHBondContact OG-CB 3.28Å; S753-E762 WeakPolarHBondContact CB-OE1 3.39Å; S753-E762 PolarHBondContact OG-OE1 3.2Å
754P79.9Confident86Confident124 Ų12470.2 Ų70.281%0.80540%0.396SS*.SBendtrans-75.5-6.7168.833.4-36.7000113.4
755N75.9Confident86.1Confident74 Ų7467.6 Ų67.640%0.39638%0.382SS..  trans-90130.8-176.2-52.2-40.8000110.6S753 D757 A758 E762S753-N755 PolarHBondContact O-N 3.34Å; S753-N755 PolarHBondContact OG-N 2.91Å; S753-N755 PolarHBondContact OG-ND2 2.87Å; N755-D757 PolarHBondContact O-N 3.44Å; N755-A758 HydrophobicContact CB-CB 4.17Å; N755-A758 VanDerWaalsContact O-CB 3.28Å; N755-A758 WeakPolarHBondContact O-CB 3.48Å; N755-A758 PolarHBondContact O-N 3.06Å; N755-E762 PolarHBondContact ND2-OE1 2.94Å
756P74.8Confident86.1Confident135 Ų13570.4 Ų70.488%0.87739%0.39SS*.THydrogen-bonded Turntrans-71.9-16.7-175.831.4-36.7000114.1
757D81.6Confident86.2Confident91 Ų9171 Ų7149%0.48739%0.389SS..THydrogen-bonded Turntrans-100.6-2-179.429.620.2000113N755 G759 E760 E761N755-D757 PolarHBondContact O-N 3.44Å; D757-G759 PolarHBondContact O-N 3.36Å; D757-E760 PolarHBondContact O-N 3.41Å; D757-E761 PolarHBondContact O-N 3.06Å
758A83.3Confident85.9Confident2 Ų270.3 Ų70.32%0.01739%0.388CS..Hα-helixtrans-54.5-31.2-175.300000114.7P749 S753 N755 E760 E762P749-A758 HydrophobicContact CB-CB 3.71Å; P749-A758 WeakPolarHBondContact CB-O 3.37Å; S753-A758 WeakPolarHBondContact OG-CB 3.28Å; N755-A758 HydrophobicContact CB-CB 4.17Å; N755-A758 VanDerWaalsContact O-CB 3.28Å; N755-A758 WeakPolarHBondContact O-CB 3.48Å; N755-A758 PolarHBondContact O-N 3.06Å; A758-E760 PolarHBondContact O-N 2.93Å; A758-E762 HydrophobicContact CB-CG 4.16Å; A758-E762 WeakPolarHBondContact CB-OE1 3.36Å; A758-E762 WeakPolarHBondContact O-CA 3.44Å; A758-E762 WeakPolarHBondContact O-CB 3.32Å; A758-E762 PolarHBondContact O-N 3.08Å
759G79.3Confident86Confident45 Ų4568 Ų6846%0.46438%0.375SS..Hα-helixtrans-65.9-14.8178.500000115.1D757D757-G759 PolarHBondContact O-N 3.36Å
760E81.1Confident86.1Confident188 Ų18868.3 Ų68.388%0.87938%0.377SS*.Hα-helixtrans-108.2-32.2175.5-63.6-170.1-171.600113D757 A758D757-E760 PolarHBondContact O-N 3.41Å; A758-E760 PolarHBondContact O-N 2.93Å
761E86.4Confident86.5Confident104 Ų10462.7 Ų62.749%0.48634%0.343SS..Hα-helixtrans-96.9-30.7-176.7-57.8-160.5160.800114.5D757 G792 Y793D757-E761 PolarHBondContact O-N 3.06Å; E761-G792 WeakPolarHBondContact O-CA 3.48Å; E761-Y793 HydrophobicContact CB-CD2 4.33Å; E761-Y793 WeakPolarHBondContact O-CD2 3.45Å; E761-Y793 PolarHBondContact O-N 3.36Å
762E93Very high86.8Confident12 Ų1261.2 Ų61.26%0.05633%0.326CS..BIsolated β-bridgetrans-96.8148.3-178.8-56.4-179.3-14200111.7Y747 P749 S753 N755 A758 P764Y747-E762 HydrophobicContact CE1-CB 4.48Å; Y747-E762 WeakPolarHBondContact CE1-OE2 3.45Å; Y747-E762 PolarHBondContact OH-OE2 3.49Å; P749-E762 HydrophobicContact CB-CB 3.91Å; P749-E762 HydrophobicContact CG-CB 3.79Å; S753-E762 WeakPolarHBondContact CB-OE1 3.39Å; S753-E762 PolarHBondContact OG-OE1 3.2Å; N755-E762 PolarHBondContact ND2-OE1 2.94Å; A758-E762 HydrophobicContact CB-CG 4.16Å; A758-E762 WeakPolarHBondContact CB-OE1 3.36Å; A758-E762 WeakPolarHBondContact O-CA 3.44Å; A758-E762 WeakPolarHBondContact O-CB 3.32Å; A758-E762 PolarHBondContact O-N 3.08Å; E762-P764 VanDerWaalsContact O-CD 3.26Å; E762-P764 WeakPolarHBondContact O-CD 3.12Å
763L92.5Very high87.1Confident2 Ų256.4 Ų56.41%0.0130%0.302CS..  trans-90.3115.4-175-175.571.4000111F765 L771 R790 Y793 I794L763-F765 WeakPolarHBondContact O-CD1 3.46Å; L763-F765 WeakPolarHBondContact O-CE1 3.5Å; L763-L771 HydrophobicContact CD2-CD2 4.15Å; L763-R790 HydrophobicContact CD1-CB 3.74Å; L763-R790 WeakPolarHBondContact CD1-O 3.41Å; L763-Y793 PolarHBondContact N-O 3.27Å; L763-I794 HydrophobicContact CB-CG1 4.05Å; L763-I794 HydrophobicContact CD2-CD1 3.78Å; L763-I794 HydrophobicContact CD2-CG1 3.83Å
764P91.2Very high87.5Confident32 Ų3257.4 Ų57.421%0.20830%0.304CS..  trans-73.6136.916928.2-34.6000112Y747 P749 E762Y747-P764 VanDerWaalsContact O-CA 3.25Å; Y747-P764 WeakPolarHBondContact O-CA 3.44Å; P749-P764 HydrophobicContact CG-CB 4.36Å; E762-P764 VanDerWaalsContact O-CD 3.26Å; E762-P764 WeakPolarHBondContact O-CD 3.12Å
765F93.6Very high87.7Confident8 Ų851.8 Ų51.84%0.03527%0.269CS..BIsolated β-bridgetrans-148.6173.5178.952.8-100.8000111.7A743 Y747 L763 Q769 L771 I794 M798 V799A743-F765 HydrophobicContact CB-CD2 3.42Å; A743-F765 VanDerWaalsContact CB-CD2 3.42Å; A743-F765 HydrophobicContact CB-CE2 3.74Å; A743-F765 HydrophobicContact CB-CG 4.36Å; Y747-F765 VanDerWaalsContact CB-CE2 3.43Å; Y747-F765 VanDerWaalsContact CB-CZ 3.44Å; Y747-F765 AromaticContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CE1 3.92Å; Y747-F765 HydrophobicContact CD1-CZ 4.13Å; Y747-F765 HydrophobicContact CG-CE1 4.19Å; Y747-F765 HydrophobicContact CG-CE2 4.41Å; Y747-F765 AromaticContact CG-CZ 3.96Å; Y747-F765 HydrophobicContact CG-CZ 3.96Å; Y747-F765 PolarHBondContact N-O 3.41Å; Y747-F765 PolarHBondContact O-N 3.12Å; Y747-F765 VanDerWaalsContact O-O 3.13Å; L763-F765 WeakPolarHBondContact O-CD1 3.46Å; L763-F765 WeakPolarHBondContact O-CE1 3.5Å; F765-Q769 VanDerWaalsContact CA-OE1 3.29Å; F765-L771 HydrophobicContact CB-CD1 4.22Å; F765-L771 HydrophobicContact CB-CD2 3.97Å; F765-L771 HydrophobicContact CD1-CD1 3.8Å; F765-L771 HydrophobicContact CD2-CD1 4.23Å; F765-L771 HydrophobicContact CE1-CD1 4.19Å; F765-L771 HydrophobicContact CG-CD1 3.83Å; F765-L771 HydrophobicContact CG-CD2 4.45Å; F765-I794 HydrophobicContact CE1-CG1 4.45Å; F765-I794 HydrophobicContact CE1-CG2 3.9Å; F765-I794 HydrophobicContact CZ-CG2 4.28Å; F765-M798 HydrophobicContact CE2-CB 4.06Å; F765-M798 HydrophobicContact CZ-CB 3.82Å; F765-V799 HydrophobicContact CE2-CG1 4.14Å; F765-V799 HydrophobicContact CZ-CG1 3.91Å
766R91.4Very high88.2Confident164 Ų16450.5 Ų50.562%0.61926%0.262SS*.  trans-119.8158179-71.3-173.9177-162.5-4.8113.1A743 D746 G768 Q769 Y818A743-R766 WeakPolarHBondContact CB-O 3.3Å; D746-R766 WeakPolarHBondContact OD1-CA 3.47Å; D746-R766 VanDerWaalsContact OD1-CB 3.27Å; D746-R766 WeakPolarHBondContact OD1-CB 3.45Å; R766-G768 PolarHBondContact O-N 3.09Å; R766-Q769 WeakPolarHBondContact O-CB 3.24Å; R766-Q769 PolarHBondContact O-N 3.4Å; R766-Y818 HydrophobicContact CB-CE1 4.18Å
767E92.6Very high88.9Confident102 Ų10246.6 Ų46.648%0.47723%0.231SC..THydrogen-bonded Turntrans-51.2136.6172.6-173.3176.314600111.2D746 Q769D746-E767 PolarHBondContact OD1-N 2.97Å; E767-Q769 PolarHBondContact O-N 3.06Å; E767-Q769 VanDerWaalsContact O-N 3.17Å
768G86.8Confident89.1Confident5 Ų545 Ų455%0.05222%0.223CC..THydrogen-bonded Turntrans72.8-6.1-175.500000115.2A743 R766 Y818 L819A743-G768 PolarHBondContact O-N 3.16Å; R766-G768 PolarHBondContact O-N 3.09Å; G768-Y818 CarbonylContact O-C 3.59Å; G768-Y818 VanDerWaalsContact O-CA 3.28Å; G768-Y818 WeakPolarHBondContact O-CA 3.49Å; G768-L819 VanDerWaalsContact CA-O 3.27Å; G768-L819 WeakPolarHBondContact CA-O 3.29Å; G768-L819 PolarHBondContact O-N 3.38Å
769Q92Very high88.8Confident17 Ų1747.2 Ų47.28%0.07924%0.241CC..BIsolated β-bridgetrans-66.2138.2178.9-170179.6-27.400111.3V742 A743 F765 R766 E767 L771 Y818V742-Q769 WeakPolarHBondContact CA-O 3.4Å; A743-Q769 HydrophobicContact CB-CB 4.45Å; A743-Q769 PolarHBondContact N-O 3.45Å; F765-Q769 VanDerWaalsContact CA-OE1 3.29Å; R766-Q769 WeakPolarHBondContact O-CB 3.24Å; R766-Q769 PolarHBondContact O-N 3.4Å; E767-Q769 PolarHBondContact O-N 3.06Å; E767-Q769 VanDerWaalsContact O-N 3.17Å; Q769-L771 HydrophobicContact CG-CD2 4.23Å; Q769-Y818 HydrophobicContact CB-CD1 3.97Å; Q769-Y818 HydrophobicContact CB-CE1 3.58Å; Q769-Y818 HydrophobicContact CG-CD1 4.47Å; Q769-Y818 HydrophobicContact CG-CE1 3.97Å; Q769-Y818 HydrophobicContact CG-CE2 4.3Å
770I92.5Very high89Confident10 Ų1049.1 Ų49.15%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-88.5129.7175.7-59.5-64.9000110.5I740 F741 V742 L813 L814 G817 L819I740-I770 HydrophobicContact CG2-CG2 3.78Å; F741-I770 WeakPolarHBondContact O-CA 3.19Å; V742-I770 HydrophobicContact CB-CD1 3.99Å; V742-I770 HydrophobicContact CG2-CD1 4.06Å; I770-L813 HydrophobicContact CG2-CB 4.43Å; I770-L814 HydrophobicContact CG2-CD2 4.07Å; I770-G817 PolarHBondContact N-O 2.9Å; I770-L819 HydrophobicContact CD1-CB 4.21Å; I770-L819 HydrophobicContact CD1-CD1 3.67Å; I770-L819 HydrophobicContact CD1-CG 3.71Å; I770-L819 HydrophobicContact CG1-CG 4.28Å
771L93.4Very high89.3Confident0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-124138.4-174.2-56.6174.1000109.6F741 A743 L763 F765 Q769 I794 V799F741-L771 HydrophobicContact CB-CB 4.49Å; F741-L771 PolarHBondContact N-O 2.74Å; F741-L771 PolarHBondContact O-N 3.07Å; A743-L771 HydrophobicContact CB-CD1 4.39Å; L763-L771 HydrophobicContact CD2-CD2 4.15Å; F765-L771 HydrophobicContact CB-CD1 4.22Å; F765-L771 HydrophobicContact CB-CD2 3.97Å; F765-L771 HydrophobicContact CD1-CD1 3.8Å; F765-L771 HydrophobicContact CD2-CD1 4.23Å; F765-L771 HydrophobicContact CE1-CD1 4.19Å; F765-L771 HydrophobicContact CG-CD1 3.83Å; F765-L771 HydrophobicContact CG-CD2 4.45Å; Q769-L771 HydrophobicContact CG-CD2 4.23Å; L771-I794 HydrophobicContact CB-CD1 4.32Å; L771-I794 HydrophobicContact CD1-CD1 4.21Å; L771-I794 HydrophobicContact CD1-CG2 4.36Å; L771-V799 HydrophobicContact CD1-CG1 3.78Å
772K92.9Very high89.6Confident52 Ų5237.6 Ų37.623%0.22619%0.187CC..EExtended strand (participates in β ladder)trans-85.6127.3168.7-62.6159.9175.5170.80107.8V738 F774 G785 E786 L814V738-K772 HydrophobicContact CG1-CB 4.04Å; V738-K772 HydrophobicContact CG1-CG 4.25Å; K772-F774 HydrophobicContact CB-CE2 4.48Å; K772-F774 HydrophobicContact CB-CZ 4.16Å; K772-G785 CarbonylContact O-C 3.59Å; K772-G785 WeakPolarHBondContact O-CA 3.47Å; K772-E786 HydrophobicContact CB-CB 4.26Å; K772-E786 HydrophobicContact CD-CB 4.02Å; K772-E786 HydrophobicContact CD-CG 4.36Å; K772-E786 VanDerWaalsContact CD-OE2 3.24Å; K772-E786 WeakPolarHBondContact CD-OE2 3.16Å; K772-E786 PolarHBondContact N-O 3.46Å; K772-E786 IonicContact NZ-OE1 3.88Å; K772-E786 PolarHBondContact NZ-OE1 2.91Å; K772-E786 IonicContact NZ-OE2 2.67Å; K772-E786 PolarHBondContact NZ-OE2 3.26Å; K772-E786 PolarHBondContact O-N 2.99Å; K772-L814 HydrophobicContact CD-CD2 4.32Å; K772-L814 HydrophobicContact CG-CD1 4.34Å; K772-L814 HydrophobicContact CG-CD2 3.52Å
773V93.1Very high89.6Confident0 Ų038.4 Ų38.40%019%0.19CC..EExtended strand (participates in β ladder)trans-111.6135.3171.7166.10000109.6R739 F741 Y783 I794R739-V773 HydrophobicContact CB-CB 4.36Å; R739-V773 PolarHBondContact N-O 3.11Å; R739-V773 PolarHBondContact O-N 2.93Å; F741-V773 HydrophobicContact CB-CG2 4.13Å; F741-V773 HydrophobicContact CD1-CG2 4.5Å; F741-V773 HydrophobicContact CD2-CB 3.57Å; F741-V773 HydrophobicContact CD2-CG1 4.26Å; F741-V773 HydrophobicContact CD2-CG2 3.41Å; F741-V773 VanDerWaalsContact CD2-CG2 3.41Å; F741-V773 HydrophobicContact CE2-CB 3.72Å; F741-V773 HydrophobicContact CE2-CG1 3.9Å; F741-V773 HydrophobicContact CE2-CG2 3.88Å; F741-V773 HydrophobicContact CG-CB 4.42Å; F741-V773 HydrophobicContact CG-CG2 3.77Å; V773-Y783 HydrophobicContact CG1-CD1 3.7Å; V773-Y783 HydrophobicContact CG1-CG 3.95Å; V773-Y783 HydrophobicContact CG2-CG 4.36Å; V773-I794 HydrophobicContact CG2-CD1 4.28Å
774F89.4Confident89.5Confident39 Ų3940.9 Ų40.917%0.17120%0.202CC..EExtended strand (participates in β ladder)trans-106.2102.2-179.7-54.8-75.9000110Y733 V738 K772 Q784 E786Y733-F774 HydrophobicContact CD1-CB 4.4Å; V738-F774 HydrophobicContact CG1-CE1 4.31Å; V738-F774 HydrophobicContact CG2-CD1 3.99Å; V738-F774 HydrophobicContact CG2-CE1 3.88Å; K772-F774 HydrophobicContact CB-CE2 4.48Å; K772-F774 HydrophobicContact CB-CZ 4.16Å; F774-Q784 PolarHBondContact N-O 3.36Å; F774-E786 HydrophobicContact CE2-CB 3.86Å; F774-E786 HydrophobicContact CZ-CB 4.11Å
775G85Confident89.6Confident5 Ų539.4 Ų39.45%0.05219%0.192CC..SBendtrans79.7-127.8177.300000114.8P737 R739P737-G775 PolarHBondContact O-N 2.91Å; R739-G775 VanDerWaalsContact CD-O 3.3Å; R739-G775 WeakPolarHBondContact CD-O 3.43Å; R739-G775 PolarHBondContact NH1-O 2.82Å
776D86.2Confident89.5Confident47 Ų4741.4 Ų41.425%0.25120%0.201SC..  trans-120.8153.9-159.7-133.72.9000112.3R739 K843 A844R739-D776 IonicContact NH1-OD1 2.73Å; D776-K843 VanDerWaalsContact OD1-C 3.29Å; D776-K843 WeakPolarHBondContact OD2-CA 3.46Å; D776-A844 VanDerWaalsContact CG-N 3.25Å; D776-A844 WeakPolarHBondContact OD1-CA 3.12Å; D776-A844 WeakPolarHBondContact OD1-CB 3.33Å; D776-A844 PolarHBondContact OD1-N 3.22Å; D776-A844 PolarHBondContact OD2-N 2.96Å
777K89.2Confident89.4Confident53 Ų5333.8 Ų33.823%0.2317%0.174CC..  trans-62.9139.1170.353.8169.6167.5162.80110.2F782 Y783 S841K777-F782 WeakPolarHBondContact CA-O 3.2Å; K777-Y783 HydrophobicContact CB-CD1 3.86Å; K777-Y783 HydrophobicContact CB-CE1 3.58Å; K777-Y783 HydrophobicContact CB-CG 4.47Å; K777-Y783 HydrophobicContact CG-CE1 4.16Å; K777-S841 WeakPolarHBondContact CE-O 3.43Å; K777-S841 PolarHBondContact NZ-O 3.36Å
778D87.3Confident88.6Confident58 Ų5832.6 Ų32.631%0.3119%0.189SC..  trans-73-161.5-176.768.812.7000113D780 G781 F782D778-D780 VanDerWaalsContact C-N 3.29Å; D778-D780 PolarHBondContact OD1-N 2.97Å; D778-G781 PolarHBondContact OD1-N 2.96Å; D778-F782 VanDerWaalsContact CG-O 3.31Å; D778-F782 PolarHBondContact N-O 2.87Å; D778-F782 PolarHBondContact OD1-N 3.35Å
779A76.8Confident88.3Confident48 Ų4835.6 Ų35.640%0.39722%0.219SC..SBendtrans-76.1-15179.200000113.1R840A779-R840 WeakPolarHBondContact O-CA 3.42Å; A779-R840 WeakPolarHBondContact O-CB 3.24Å; A779-R840 WeakPolarHBondContact O-CD 3.26Å; A779-R840 WeakPolarHBondContact O-CG 3.41Å; A779-R840 PolarHBondContact O-NE 3.35Å
780D82.9Confident87.9Confident86 Ų8641.9 Ų41.946%0.4624%0.243SC..SBendtrans-122.6-11.2-165.5-60.4-55.2000113D778 R840D778-D780 VanDerWaalsContact C-N 3.29Å; D778-D780 PolarHBondContact OD1-N 2.97Å; D780-R840 IonicContact OD1-CZ 3.25Å; D780-R840 IonicContact OD1-NE 2.65Å; D780-R840 PolarHBondContact OD1-NE 2.84Å; D780-R840 IonicContact OD1-NH2 3.66Å; D780-R840 PolarHBondContact OD1-NH2 3.12Å; D780-R840 IonicContact OD2-NH2 3.75Å
781G87.9Confident87.7Confident5 Ų546.4 Ų46.45%0.05227%0.271CS..SBendtrans120.513.8168.300000114.3D778 C796D778-G781 PolarHBondContact OD1-N 2.96Å; G781-C796 WeakPolarHBondContact O-CB 3.23Å; G781-C796 PolarHBondContact O-N 3.4Å; G781-C796 PolarHBondContact O-SG 3.27Å
782F91.5Very high87.7Confident45 Ų4546.9 Ų46.920%0.19728%0.275CS..EExtended strand (participates in β ladder)trans-106.6141.6-177.9-63.6-104.1000111K777 D778 Y793 I794 P795K777-F782 WeakPolarHBondContact CA-O 3.2Å; D778-F782 VanDerWaalsContact CG-O 3.31Å; D778-F782 PolarHBondContact N-O 2.87Å; D778-F782 PolarHBondContact OD1-N 3.35Å; F782-Y793 HydrophobicContact CB-CD1 4.16Å; F782-I794 CarbonylContact C-O 3.42Å; F782-I794 WeakPolarHBondContact CA-O 3.24Å; F782-P795 HydrophobicContact CD1-CB 4.29Å; F782-P795 HydrophobicContact CD1-CG 4.17Å; F782-P795 HydrophobicContact CE1-CB 4.06Å; F782-P795 HydrophobicContact CE1-CG 3.8Å
783Y93.3Very high87.7Confident28 Ų2848.5 Ų48.511%0.1128%0.281CS..EExtended strand (participates in β ladder)trans-91.3149.9163-64.9-71.7000109F741 V773 K777 Y793 I794 C796 V799F741-Y783 HydrophobicContact CD1-CE2 4.5Å; F741-Y783 HydrophobicContact CE1-CD2 4.32Å; F741-Y783 AromaticContact CE1-CE2 3.71Å; F741-Y783 HydrophobicContact CE1-CE2 3.71Å; F741-Y783 AromaticContact CE1-CZ 3.85Å; F741-Y783 HydrophobicContact CZ-CE1 4.1Å; F741-Y783 HydrophobicContact CZ-CE2 4.09Å; F741-Y783 AromaticContact CZ-CZ 3.81Å; V773-Y783 HydrophobicContact CG1-CD1 3.7Å; V773-Y783 HydrophobicContact CG1-CG 3.95Å; V773-Y783 HydrophobicContact CG2-CG 4.36Å; K777-Y783 HydrophobicContact CB-CD1 3.86Å; K777-Y783 HydrophobicContact CB-CE1 3.58Å; K777-Y783 HydrophobicContact CB-CG 4.47Å; K777-Y783 HydrophobicContact CG-CE1 4.16Å; Y783-Y793 CarbonylContact O-C 3.5Å; Y783-Y793 WeakPolarHBondContact O-CA 3.35Å; Y783-I794 PolarHBondContact N-O 3.27Å; Y783-I794 PolarHBondContact O-N 2.93Å; Y783-C796 HydrophobicContact CD2-CB 3.97Å; Y783-C796 HydrophobicContact CE2-CB 3.48Å; Y783-C796 VanDerWaalsContact CE2-CB 3.48Å; Y783-V799 HydrophobicContact CD2-CG2 4.01Å; Y783-V799 HydrophobicContact CE2-CG2 4.13Å
784Q91.4Very high87.7Confident55 Ų5548.5 Ų48.526%0.25728%0.281SS..EExtended strand (participates in β ladder)trans-95.9131.6167-168.4166.75.900109.5Y733 F774Y733-Q784 PolarHBondContact OH-OE1 3.48Å; F774-Q784 PolarHBondContact N-O 3.36Å
785G92.4Very high87.9Confident0 Ų047.4 Ų47.40%028%0.278CS..EExtended strand (participates in β ladder)trans-157177.9-172.300000115.9K772 T791 G792K772-G785 CarbonylContact O-C 3.59Å; K772-G785 WeakPolarHBondContact O-CA 3.47Å; G785-T791 VanDerWaalsContact O-CA 3.23Å; G785-T791 WeakPolarHBondContact O-CA 3.44Å; G785-G792 PolarHBondContact N-O 3.16Å; G785-G792 PolarHBondContact O-N 2.8Å
786E92.4Very high88.2Confident51 Ų5148.5 Ų48.524%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-129.3131.2178.7-173.6-145.8128.800110.4K772 F774 R790 T791K772-E786 HydrophobicContact CB-CB 4.26Å; K772-E786 HydrophobicContact CD-CB 4.02Å; K772-E786 HydrophobicContact CD-CG 4.36Å; K772-E786 VanDerWaalsContact CD-OE2 3.24Å; K772-E786 WeakPolarHBondContact CD-OE2 3.16Å; K772-E786 PolarHBondContact N-O 3.46Å; K772-E786 IonicContact NZ-OE1 3.88Å; K772-E786 PolarHBondContact NZ-OE1 2.91Å; K772-E786 IonicContact NZ-OE2 2.67Å; K772-E786 PolarHBondContact NZ-OE2 3.26Å; K772-E786 PolarHBondContact O-N 2.99Å; F774-E786 HydrophobicContact CE2-CB 3.86Å; F774-E786 HydrophobicContact CZ-CB 4.11Å; E786-R790 CarbonylContact C-O 3.59Å; E786-R790 VanDerWaalsContact CA-O 3.24Å; E786-R790 WeakPolarHBondContact CA-O 3.4Å; E786-R790 WeakPolarHBondContact CG-O 3.46Å; E786-T791 HydrophobicContact CB-CG2 3.84Å; E786-T791 HydrophobicContact CG-CG2 3.96Å
787G87.5Confident88.5Confident4 Ų449.3 Ų49.34%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-148.8134.9177.100000111G789 R790G787-G789 PolarHBondContact O-N 2.81Å; G787-G789 VanDerWaalsContact O-N 3.12Å; G787-R790 PolarHBondContact N-O 3.41Å; G787-R790 PolarHBondContact O-N 3.49Å
788G76.7Confident88.6Confident77 Ų7747.9 Ų47.979%0.79428%0.283SS*.THydrogen-bonded Turntrans58.924.7179.700000115R790G788-R790 VanDerWaalsContact C-N 3.34Å
789G79.8Confident88.9Confident67 Ų6745.7 Ų45.769%0.69127%0.271SS*.THydrogen-bonded Turntrans80.17.5-176.600000115.3G787G787-G789 PolarHBondContact O-N 2.81Å; G787-G789 VanDerWaalsContact O-N 3.12Å
790R84.6Confident89.6Confident150 Ų15044.9 Ų44.957%0.56627%0.265SS*.EExtended strand (participates in β ladder)trans-109.5151168.5-72.2-176.6-72.8-177.5-5110.6L763 E786 G787 G788L763-R790 HydrophobicContact CD1-CB 3.74Å; L763-R790 WeakPolarHBondContact CD1-O 3.41Å; E786-R790 CarbonylContact C-O 3.59Å; E786-R790 VanDerWaalsContact CA-O 3.24Å; E786-R790 WeakPolarHBondContact CA-O 3.4Å; E786-R790 WeakPolarHBondContact CG-O 3.46Å; G787-R790 PolarHBondContact N-O 3.41Å; G787-R790 PolarHBondContact O-N 3.49Å; G788-R790 VanDerWaalsContact C-N 3.34Å
791T88.9Confident90.1Very high104 Ų10444.2 Ų44.264%0.63826%0.259SS*.EExtended strand (participates in β ladder)trans-112.4144.117142.90000110.5G785 E786G785-T791 VanDerWaalsContact O-CA 3.23Å; G785-T791 WeakPolarHBondContact O-CA 3.44Å; E786-T791 HydrophobicContact CB-CG2 3.84Å; E786-T791 HydrophobicContact CG-CG2 3.96Å
792G91.4Very high90.2Very high10 Ų1045.5 Ų45.510%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-178.4-173.5176.600000112E761 G785E761-G792 WeakPolarHBondContact O-CA 3.48Å; G785-G792 PolarHBondContact N-O 3.16Å; G785-G792 PolarHBondContact O-N 2.8Å
793Y93.1Very high89.7Confident87 Ų8746.7 Ų46.734%0.34128%0.284SS..EExtended strand (participates in β ladder)trans-80143.8174.7-65.8-72.2000112.6E761 L763 F782 Y783E761-Y793 HydrophobicContact CB-CD2 4.33Å; E761-Y793 WeakPolarHBondContact O-CD2 3.45Å; E761-Y793 PolarHBondContact O-N 3.36Å; L763-Y793 PolarHBondContact N-O 3.27Å; F782-Y793 HydrophobicContact CB-CD1 4.16Å; Y783-Y793 CarbonylContact O-C 3.5Å; Y783-Y793 WeakPolarHBondContact O-CA 3.35Å
794I94.6Very high89Confident0 Ų046.5 Ų46.50%029%0.286CS..EExtended strand (participates in β ladder)trans-126.6116.3-175.2-63.9169.8000108.2L763 F765 L771 V773 F782 Y783 C796 V799L763-I794 HydrophobicContact CB-CG1 4.05Å; L763-I794 HydrophobicContact CD2-CD1 3.78Å; L763-I794 HydrophobicContact CD2-CG1 3.83Å; F765-I794 HydrophobicContact CE1-CG1 4.45Å; F765-I794 HydrophobicContact CE1-CG2 3.9Å; F765-I794 HydrophobicContact CZ-CG2 4.28Å; L771-I794 HydrophobicContact CB-CD1 4.32Å; L771-I794 HydrophobicContact CD1-CD1 4.21Å; L771-I794 HydrophobicContact CD1-CG2 4.36Å; V773-I794 HydrophobicContact CG2-CD1 4.28Å; F782-I794 CarbonylContact C-O 3.42Å; F782-I794 WeakPolarHBondContact CA-O 3.24Å; Y783-I794 PolarHBondContact N-O 3.27Å; Y783-I794 PolarHBondContact O-N 2.93Å; I794-C796 PolarHBondContact O-N 2.9Å; I794-V799 HydrophobicContact CG2-CB 4.35Å; I794-V799 HydrophobicContact CG2-CG1 3.53Å; I794-V799 HydrophobicContact CG2-CG2 3.83Å
795P92.6Very high88.2Confident16 Ų1646.9 Ų46.910%0.10429%0.29CS..EExtended strand (participates in β ladder)trans-65.2128.6179.6-14.324.7000111.7Y747 F782 N797 M798Y747-P795 HydrophobicContact CD1-CG 4.19Å; Y747-P795 HydrophobicContact CE1-CG 3.64Å; Y747-P795 HydrophobicContact CE2-CG 4.03Å; F782-P795 HydrophobicContact CD1-CB 4.29Å; F782-P795 HydrophobicContact CD1-CG 4.17Å; F782-P795 HydrophobicContact CE1-CB 4.06Å; F782-P795 HydrophobicContact CE1-CG 3.8Å; P795-N797 PolarHBondContact O-N 2.83Å; P795-N797 VanDerWaalsContact O-N 3.16Å; P795-M798 HydrophobicContact CB-CG 4.08Å; P795-M798 HydrophobicContact CG-CG 4.37Å; P795-M798 PolarHBondContact O-N 3.28Å; P795-M798 VanDerWaalsContact O-N 3.14Å
796C92.1Very high87.7Confident27 Ų2749.7 Ų49.718%0.18231%0.309CS..G310 helixtrans-63.6-25.2-174.368.40000114.5G781 Y783 I794 M798G781-C796 WeakPolarHBondContact O-CB 3.23Å; G781-C796 PolarHBondContact O-N 3.4Å; G781-C796 PolarHBondContact O-SG 3.27Å; Y783-C796 HydrophobicContact CD2-CB 3.97Å; Y783-C796 HydrophobicContact CE2-CB 3.48Å; Y783-C796 VanDerWaalsContact CE2-CB 3.48Å; I794-C796 PolarHBondContact O-N 2.9Å; C796-M798 PolarHBondContact O-N 2.84Å
797N93.2Very high86.9Confident65 Ų6552.4 Ų52.435%0.34833%0.331SS..G310 helixtrans-74.4-10.5-179.6-65.913.3000113.3P795 P836P795-N797 PolarHBondContact O-N 2.83Å; P795-N797 VanDerWaalsContact O-N 3.16Å; N797-P836 PolarHBondContact ND2-O 3.39Å
798M91.1Very high86.5Confident23 Ų2355.2 Ų55.211%0.11335%0.354CS..G310 helixtrans-105.4-0.7-174.6-56.7-60.5-8200113.2L744 F745 D746 Y747 F765 P795 C796L744-M798 PolarHBondContact N-O 3.33Å; F745-M798 HydrophobicContact CB-CE 3.73Å; F745-M798 HydrophobicContact CD2-CE 4.17Å; F745-M798 HydrophobicContact CD2-SD 4.02Å; F745-M798 HydrophobicContact CG-CE 4.35Å; D746-M798 WeakPolarHBondContact O-CE 3.29Å; Y747-M798 HydrophobicContact CD2-CE 4.04Å; Y747-M798 HydrophobicContact CD2-CG 4.37Å; F765-M798 HydrophobicContact CE2-CB 4.06Å; F765-M798 HydrophobicContact CZ-CB 3.82Å; P795-M798 HydrophobicContact CB-CG 4.08Å; P795-M798 HydrophobicContact CG-CG 4.37Å; P795-M798 PolarHBondContact O-N 3.28Å; P795-M798 VanDerWaalsContact O-N 3.14Å; C796-M798 PolarHBondContact O-N 2.84Å
799V92.5Very high86.6Confident11 Ų1152.3 Ų52.37%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-140.3142.1-172.1-61.90000112.3F741 V742 F765 L771 Y783 I794F741-V799 HydrophobicContact CB-CB 4.4Å; F741-V799 HydrophobicContact CD1-CB 4Å; F741-V799 HydrophobicContact CD1-CG2 3.7Å; F741-V799 HydrophobicContact CE1-CG2 4.25Å; V742-V799 CarbonylContact O-C 3.59Å; V742-V799 WeakPolarHBondContact O-CA 3.37Å; F765-V799 HydrophobicContact CE2-CG1 4.14Å; F765-V799 HydrophobicContact CZ-CG1 3.91Å; L771-V799 HydrophobicContact CD1-CG1 3.78Å; Y783-V799 HydrophobicContact CD2-CG2 4.01Å; Y783-V799 HydrophobicContact CE2-CG2 4.13Å; I794-V799 HydrophobicContact CG2-CB 4.35Å; I794-V799 HydrophobicContact CG2-CG1 3.53Å; I794-V799 HydrophobicContact CG2-CG2 3.83Å
800A92.7Very high86.7Confident31 Ų3151.5 Ų51.526%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-110.7143.9172.400000111.2F741 V742 L744F741-A800 CarbonylContact C-O 3.55Å; F741-A800 WeakPolarHBondContact CA-O 3.48Å; F741-A800 WeakPolarHBondContact CB-O 3.43Å; F741-A800 WeakPolarHBondContact CD1-O 3.46Å; V742-A800 HydrophobicContact CG1-CB 4.21Å; V742-A800 PolarHBondContact N-O 2.93Å; V742-A800 PolarHBondContact O-N 2.77Å; L744-A800 HydrophobicContact CD1-CB 4.18Å; L744-A800 HydrophobicContact CD2-CB 3.83Å; L744-A800 HydrophobicContact CG-CB 4.11Å
801E92.3Very high86.3Confident72 Ų7250.2 Ų50.234%0.33630%0.301SS..EExtended strand (participates in β ladder)trans-75.4132.8173.2-175.6161.4-147.500110.5R739 F741R739-E801 IonicContact CZ-OE1 3.95Å; R739-E801 IonicContact CZ-OE2 2.69Å; R739-E801 IonicContact NE-OE1 3.96Å; R739-E801 PolarHBondContact NE-OE1 3.19Å; R739-E801 IonicContact NE-OE2 3.03Å; R739-E801 VanDerWaalsContact NH2-CD 3.32Å; R739-E801 IonicContact NH2-OE1 3.32Å; R739-E801 PolarHBondContact NH2-OE1 3.16Å; R739-E801 IonicContact NH2-OE2 3.83Å; R739-E801 PolarHBondContact NH2-OE2 3.47Å; F741-E801 HydrophobicContact CD1-CB 4.18Å; F741-E801 HydrophobicContact CD2-CB 4.46Å; F741-E801 HydrophobicContact CD2-CG 4.46Å; F741-E801 HydrophobicContact CE1-CB 3.74Å; F741-E801 HydrophobicContact CE2-CB 4.05Å; F741-E801 HydrophobicContact CE2-CG 3.99Å; F741-E801 HydrophobicContact CZ-CB 3.67Å; F741-E801 HydrophobicContact CZ-CG 4.06Å
802V89.5Confident85.9Confident33 Ų3350.2 Ų50.220%0.229%0.293CS..  trans-101.4101.8172.9-1680000107.6I740 V742 V804 L813I740-V802 HydrophobicContact CG2-CB 4.38Å; I740-V802 PolarHBondContact O-N 3.17Å; V742-V802 HydrophobicContact CB-CG2 3.89Å; V742-V802 HydrophobicContact CG1-CG2 3.74Å; V802-V804 HydrophobicContact CG1-CG2 3.86Å; V802-V804 PolarHBondContact O-N 2.65Å; V802-L813 HydrophobicContact CB-CD1 4.43Å; V802-L813 HydrophobicContact CG1-CD1 3.88Å
803A81.9Confident85.5Confident70 Ų7050.5 Ų50.558%0.57929%0.293SS*.  trans-63121174.500000110.1E847A803-E847 WeakPolarHBondContact CA-OE1 3.47Å; A803-E847 HydrophobicContact CB-CG 4.26Å
804V79Confident85Confident24 Ų2449.4 Ų49.415%0.14529%0.292CS..  trans-14794.4-179.8-171.70000110.2V802 S806 R810 L813 E847V802-V804 HydrophobicContact CG1-CG2 3.86Å; V802-V804 PolarHBondContact O-N 2.65Å; V804-S806 PolarHBondContact O-N 3.21Å; V804-R810 HydrophobicContact CB-CG 3.83Å; V804-R810 HydrophobicContact CG1-CG 4.02Å; V804-R810 WeakPolarHBondContact O-CG 3.28Å; V804-R810 PolarHBondContact O-NE 3.16Å; V804-L813 HydrophobicContact CG2-CD1 3.77Å; V804-E847 PolarHBondContact N-OE1 3.48Å
805D74.7Confident84.2Confident63 Ų6356.5 Ų56.534%0.33733%0.325SS..  trans-74.72.7-170.8-33.6-114.9000113.8E847 G848 P849D805-E847 VanDerWaalsContact CA-OE2 3.23Å; D805-E847 WeakPolarHBondContact CA-OE2 3.49Å; D805-E847 PolarHBondContact N-OE2 2.91Å; D805-E847 WeakPolarHBondContact OD1-CB 3.49Å; D805-E847 VanDerWaalsContact OD1-CG 3.26Å; D805-E847 WeakPolarHBondContact OD1-CG 3.47Å; D805-G848 WeakPolarHBondContact OD1-CA 3.4Å; D805-G848 PolarHBondContact OD1-N 3.32Å; D805-P849 HydrophobicContact CB-CB 4.49Å; D805-P849 HydrophobicContact CB-CG 3.8Å; D805-P849 VanDerWaalsContact CG-CB 3.47Å; D805-P849 WeakPolarHBondContact OD1-CB 3.39Å; D805-P849 WeakPolarHBondContact OD1-CD 3.43Å; D805-P849 WeakPolarHBondContact OD2-CB 3.34Å; D805-P849 VanDerWaalsContact OD2-CG 3.24Å; D805-P849 WeakPolarHBondContact OD2-CG 3.23Å
806S80.6Confident83.5Confident58 Ų5863.1 Ų63.141%0.40635%0.348SS..  trans-119.3124.9177.3176.30000110.5V804 A808 G809 R810V804-S806 PolarHBondContact O-N 3.21Å; S806-A808 PolarHBondContact O-N 2.67Å; S806-A808 PolarHBondContact OG-N 3.31Å; S806-G809 WeakPolarHBondContact O-CA 3.4Å; S806-G809 PolarHBondContact O-N 3.03Å; S806-R810 PolarHBondContact O-N 2.89Å
807P76.1Confident82.9Confident108 Ų10863 Ų6370%0.70135%0.351SS*.Hα-helixtrans-62.3-27.6177.825.8-34.1000112.3Q811P807-Q811 WeakPolarHBondContact O-CB 3.4Å; P807-Q811 PolarHBondContact O-N 3.03Å
808A79.5Confident82.4Confident63 Ų6365.5 Ų65.552%0.52136%0.357SS..Hα-helixtrans-67.7-37.6173.300000112S806 Q811 Q812S806-A808 PolarHBondContact O-N 2.67Å; S806-A808 PolarHBondContact OG-N 3.31Å; A808-Q811 PolarHBondContact O-N 2.9Å; A808-Q812 WeakPolarHBondContact O-CB 3.38Å; A808-Q812 PolarHBondContact O-N 2.68Å
809G79.5Confident81.8Confident17 Ų1766 Ų6618%0.17536%0.36CS..Hα-helixtrans-65.8-46.6173.600000111.8S806 Q811 Q812 L813S806-G809 WeakPolarHBondContact O-CA 3.4Å; S806-G809 PolarHBondContact O-N 3.03Å; G809-Q811 VanDerWaalsContact C-N 3.28Å; G809-Q811 PolarHBondContact O-N 3.26Å; G809-Q812 PolarHBondContact O-N 2.99Å; G809-Q812 VanDerWaalsContact O-N 3.09Å; G809-L813 PolarHBondContact O-N 3.14Å
810R79.9Confident80.3Confident50 Ų5068.9 Ų68.919%0.18938%0.381CS..Hα-helixtrans-55.7-44.3174.3-65.8-173.2-173.4-154.23.1110.9V738 I740 V804 S806 L813 L814 E847V738-R810 PolarHBondContact O-NH1 3.35Å; I740-R810 HydrophobicContact CD1-CB 4.27Å; I740-R810 HydrophobicContact CG1-CB 3.88Å; I740-R810 HydrophobicContact CG1-CG 3.81Å; V804-R810 HydrophobicContact CB-CG 3.83Å; V804-R810 HydrophobicContact CG1-CG 4.02Å; V804-R810 WeakPolarHBondContact O-CG 3.28Å; V804-R810 PolarHBondContact O-NE 3.16Å; S806-R810 PolarHBondContact O-N 2.89Å; R810-L813 PolarHBondContact O-N 3.45Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.38Å; R810-L814 VanDerWaalsContact O-N 3.16Å; R810-E847 IonicContact CZ-OE1 2.65Å; R810-E847 IonicContact CZ-OE2 2.72Å; R810-E847 IonicContact NH2-OE1 3.34Å; R810-E847 PolarHBondContact NH2-OE1 3.07Å; R810-E847 IonicContact NH2-OE2 2.7Å; R810-E847 PolarHBondContact NH2-OE2 3.27Å
811Q77.1Confident78.5Confident123 Ų12370.9 Ų70.958%0.57539%0.391SS*.Hα-helixtrans-67-36177-162.1178.225.100113P807 A808 G809 L814 Q815P807-Q811 WeakPolarHBondContact O-CB 3.4Å; P807-Q811 PolarHBondContact O-N 3.03Å; A808-Q811 PolarHBondContact O-N 2.9Å; G809-Q811 VanDerWaalsContact C-N 3.28Å; G809-Q811 PolarHBondContact O-N 3.26Å; Q811-L814 PolarHBondContact O-N 3.04Å; Q811-Q815 WeakPolarHBondContact O-CG 3.4Å; Q811-Q815 PolarHBondContact O-N 2.83Å
812Q80.9Confident76.3Confident103 Ų10373.6 Ų73.648%0.48141%0.408SS..Hα-helixtrans-67.4-37.9177.1-168.8178.43300112.5A808 G809 Q815 R816A808-Q812 WeakPolarHBondContact O-CB 3.38Å; A808-Q812 PolarHBondContact O-N 2.68Å; G809-Q812 PolarHBondContact O-N 2.99Å; G809-Q812 VanDerWaalsContact O-N 3.09Å; Q812-Q815 PolarHBondContact O-N 2.93Å; Q812-R816 PolarHBondContact O-N 3Å; Q812-R816 VanDerWaalsContact O-N 3.13Å
813L83.4Confident74.5Confident17 Ų1778.3 Ų78.39%0.08943%0.43CS..Hα-helixtrans-64.7-43.7172.8-66.4-173000111.6I740 I770 V802 V804 G809 R810 Q815 R816 G817 L819I740-L813 HydrophobicContact CG2-CB 4.38Å; I740-L813 HydrophobicContact CG2-CD1 3.93Å; I770-L813 HydrophobicContact CG2-CB 4.43Å; V802-L813 HydrophobicContact CB-CD1 4.43Å; V802-L813 HydrophobicContact CG1-CD1 3.88Å; V804-L813 HydrophobicContact CG2-CD1 3.77Å; G809-L813 PolarHBondContact O-N 3.14Å; R810-L813 PolarHBondContact O-N 3.45Å; L813-Q815 VanDerWaalsContact C-N 3.28Å; L813-Q815 PolarHBondContact O-N 3.3Å; L813-R816 PolarHBondContact O-N 2.97Å; L813-R816 VanDerWaalsContact O-N 3.09Å; L813-G817 PolarHBondContact O-N 2.96Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å; L813-L819 HydrophobicContact CD2-CD2 3.88Å; L813-L819 HydrophobicContact CD2-CG 4.2Å
814L81Confident73.1Confident64 Ų6479.5 Ų79.534%0.33543%0.427SS..Hα-helixtrans-64.4-29.9176.5-68.8172.9000113.3I740 I770 K772 R810 Q811I740-L814 HydrophobicContact CD1-CD1 3.84Å; I740-L814 HydrophobicContact CD1-CD2 3.9Å; I740-L814 HydrophobicContact CD1-CG 3.79Å; I770-L814 HydrophobicContact CG2-CD2 4.07Å; K772-L814 HydrophobicContact CD-CD2 4.32Å; K772-L814 HydrophobicContact CG-CD1 4.34Å; K772-L814 HydrophobicContact CG-CD2 3.52Å; R810-L814 WeakPolarHBondContact O-CG 3.48Å; R810-L814 PolarHBondContact O-N 3.38Å; R810-L814 VanDerWaalsContact O-N 3.16Å; Q811-L814 PolarHBondContact O-N 3.04Å
815Q78.2Confident71.3Confident149 Ų14984.2 Ų84.270%0.69645%0.45SS*.Hα-helixtrans-74.2-28.3172.1-74175.522.100113.2Q811 Q812 L813Q811-Q815 WeakPolarHBondContact O-CG 3.4Å; Q811-Q815 PolarHBondContact O-N 2.83Å; Q812-Q815 PolarHBondContact O-N 2.93Å; L813-Q815 VanDerWaalsContact C-N 3.28Å; L813-Q815 PolarHBondContact O-N 3.3Å
816R78.3Confident69.3Low154 Ų15491 Ų9158%0.58148%0.48SS*.Hα-helixtrans-77.4-35.1173.6-76.7179.2167.2148.3-3.1112.5Q812 L813 Y818Q812-R816 PolarHBondContact O-N 3Å; Q812-R816 VanDerWaalsContact O-N 3.13Å; L813-R816 PolarHBondContact O-N 2.97Å; L813-R816 VanDerWaalsContact O-N 3.09Å; R816-Y818 PolarHBondContact O-N 2.86Å
817G78.9Confident67Low24 Ų2490.8 Ų90.825%0.24749%0.487CS..  trans70.7-20.3177.600000115.6I770 L813I770-G817 PolarHBondContact N-O 2.9Å; L813-G817 PolarHBondContact O-N 2.96Å
818Y82.7Confident64.8Low118 Ų11891 Ų9146%0.46349%0.491SS..BIsolated β-bridgetrans-139.9151.3175-73.6-98.3000110.6R766 G768 Q769 R816R766-Y818 HydrophobicContact CB-CE1 4.18Å; G768-Y818 CarbonylContact O-C 3.59Å; G768-Y818 VanDerWaalsContact O-CA 3.28Å; G768-Y818 WeakPolarHBondContact O-CA 3.49Å; Q769-Y818 HydrophobicContact CB-CD1 3.97Å; Q769-Y818 HydrophobicContact CB-CE1 3.58Å; Q769-Y818 HydrophobicContact CG-CD1 4.47Å; Q769-Y818 HydrophobicContact CG-CE1 3.97Å; Q769-Y818 HydrophobicContact CG-CE2 4.3Å; R816-Y818 PolarHBondContact O-N 2.86Å
819L79.7Confident62.5Low33 Ų3391.9 Ų91.917%0.17350%0.498CS..  trans-122.6133.3165.9-78.8178.2000109.3V742 G768 I770 L813V742-L819 HydrophobicContact CG2-CB 4.37Å; G768-L819 VanDerWaalsContact CA-O 3.27Å; G768-L819 WeakPolarHBondContact CA-O 3.29Å; G768-L819 PolarHBondContact O-N 3.38Å; I770-L819 HydrophobicContact CD1-CB 4.21Å; I770-L819 HydrophobicContact CD1-CD1 3.67Å; I770-L819 HydrophobicContact CD1-CG 3.71Å; I770-L819 HydrophobicContact CG1-CG 4.28Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å; L813-L819 HydrophobicContact CD2-CD2 3.88Å; L813-L819 HydrophobicContact CD2-CG 4.2Å
820S59.6Low60.2Low73 Ų73102.5 Ų102.551%0.5153%0.533SS..  trans-71.2141.2172-54.80000110.8D822 I823S820-D822 PolarHBondContact O-N 2.83Å; S820-I823 PolarHBondContact O-N 2.9Å
821P56.1Low57.7Low72 Ų72106.3 Ų106.347%0.46856%0.562SS.*G310 helixtrans-53.4-28.5177.4-29.536.4000114.8I823 L824 L825P821-I823 PolarHBondContact O-N 3.26Å; P821-I823 VanDerWaalsContact O-N 3.08Å; P821-L824 WeakPolarHBondContact O-CB 3.36Å; P821-L824 PolarHBondContact O-N 2.82Å; P821-L825 PolarHBondContact O-N 3.13Å
822D45.2Very low55.5Low130 Ų130107.9 Ų107.970%0.69558%0.58SS**G310 helixtrans-57.9-23.9-179.6-52.5-60.5000114.4S820S820-D822 PolarHBondContact O-N 2.83Å
823I53.2Low53.2Low131 Ų131105.9 Ų105.967%0.67259%0.587SS**G310 helixtrans-86.5-16.2178-63.1-179.5000111.9S820 P821S820-I823 PolarHBondContact O-N 2.9Å; P821-I823 PolarHBondContact O-N 3.26Å; P821-I823 VanDerWaalsContact O-N 3.08Å
824L51.5Low50.9Low95 Ų95111 Ų11150%0.49762%0.622SS.*THydrogen-bonded Turntrans-88.5-12.6175.4-136.3162.8000111.9V742 L744 P821 E826V742-L824 HydrophobicContact CG1-CD1 3.92Å; L744-L824 HydrophobicContact CD2-CD1 4.46Å; P821-L824 WeakPolarHBondContact O-CB 3.36Å; P821-L824 PolarHBondContact O-N 2.82Å; L824-E826 PolarHBondContact O-N 2.97Å
825L42.1Very low48.6Very low123 Ų123112.2 Ų112.264%0.64463%0.633SS**  trans-76.3-14.2-167.6-170.555.6000115.3P821 G827P821-L825 PolarHBondContact O-N 3.13Å; L825-G827 PolarHBondContact O-N 2.77Å
826E31.8Very low46.6Very low206 Ų206110.2 Ų110.296%0.96363%0.633SS**THydrogen-bonded Turntrans-79.242.9168.6-156.7170.8-141.600111.1L824L824-E826 PolarHBondContact O-N 2.97Å
827G32.9Very low44.4Very low53 Ų53112.5 Ų112.555%0.54665%0.647SS.*THydrogen-bonded Turntrans-157.720.9-157.400000117.3L825L825-G827 PolarHBondContact O-N 2.77Å
828S29.5Very low42.1Very low112 Ų112114.9 Ų114.978%0.78366%0.658SS**  trans84.3149.5172.8-157.10000118.9
829A30.7Very low39.8Very low82 Ų82119.3 Ų119.368%0.67867%0.674SS**  trans45.9112159.200000121
830R32.1Very low37.3Very low240 Ų240124.9 Ų124.991%0.90669%0.693SS**  trans-78.5128.5148.3-78.1175.6159.1-169.2-6.1110
831T27.9Very low35.9Very low131 Ų131124.5 Ų124.580%0.80469%0.69SS**  trans-141.1111.6155.939.10000110.1G833T831-G833 PolarHBondContact O-N 2.94Å
832T31Very low34.8Very low155 Ų155128.2 Ų128.295%0.95170%0.699SS**  trans-85.6100172.746.80000109.7
833G31.8Very low34Very low61 Ų61130.5 Ų130.563%0.62970%0.703SS**  trans-159158.2177.800000112.1T831T831-G833 PolarHBondContact O-N 2.94Å
834P34.9Very low32.8Very low126 Ų126126.1 Ų126.182%0.81869%0.687SS**PPolyproline II helixtrans-72.9150.3-17830.5-35.1000112.3
835P32.3Very low31.6Very low89 Ų89125.3 Ų125.358%0.57868%0.68SS**PPolyproline II helixtrans-78.4143.2-168.830-35.9000114.2
836P36.9Very low31Very low107 Ų107122.8 Ų122.870%0.69567%0.673SS**PPolyproline II helixtrans-72.7153.6170.830.8-34.6000112.2N797N797-P836 PolarHBondContact ND2-O 3.39Å
837K31Very low30.8Very low201 Ų201116.6 Ų116.687%0.87464%0.644SS**PPolyproline II helixtrans-82.3151-179.6-79-178.9177.1178.80112.6
838P31.8Very low30.6Very low74 Ų74117 Ų11748%0.48165%0.649SS.*PPolyproline II helixtrans-76.6145.2-161.829.3-36.5000114.7
839R33.2Very low31.2Very low211 Ų211115.9 Ų115.980%0.79664%0.639SS**  trans-120.195.3164.6-90.7-176.4169.1166.1-0.9111.4
840R28.5Very low31.1Very low150 Ų150116.3 Ų116.357%0.56664%0.642SS**  trans14.5112.5143.8162.6161.2-76.8-149.5-2.2117.4A779 D780A779-R840 WeakPolarHBondContact O-CA 3.42Å; A779-R840 WeakPolarHBondContact O-CB 3.24Å; A779-R840 WeakPolarHBondContact O-CD 3.26Å; A779-R840 WeakPolarHBondContact O-CG 3.41Å; A779-R840 PolarHBondContact O-NE 3.35Å; D780-R840 IonicContact OD1-CZ 3.25Å; D780-R840 IonicContact OD1-NE 2.65Å; D780-R840 PolarHBondContact OD1-NE 2.84Å; D780-R840 IonicContact OD1-NH2 3.66Å; D780-R840 PolarHBondContact OD1-NH2 3.12Å; D780-R840 IonicContact OD2-NH2 3.75Å
841S30.6Very low31.1Very low65 Ų65113.4 Ų113.446%0.45564%0.638SS.*  trans127.9129.7148.3-57.70000115.1K777K777-S841 WeakPolarHBondContact CE-O 3.43Å; K777-S841 PolarHBondContact NZ-O 3.36Å
842K32Very low31.7Very low151 Ų151111.5 Ų111.566%0.65763%0.629SS**  trans27.5149132.5-98.3159.8-179.5153.50120.9
843K27.7Very low31.5Very low177 Ų177109.7 Ų109.777%0.7762%0.621SS**  cis-156.9164.924.5-167.9-177.5164.5-160.90113.3D776D776-K843 VanDerWaalsContact OD1-C 3.29Å; D776-K843 WeakPolarHBondContact OD2-CA 3.46Å
844A28Very low31.9Very low40 Ų40113 Ų11333%0.33163%0.631SS.*  trans-53.1141.1-177.100000119.2D776D776-A844 VanDerWaalsContact CG-N 3.25Å; D776-A844 WeakPolarHBondContact OD1-CA 3.12Å; D776-A844 WeakPolarHBondContact OD1-CB 3.33Å; D776-A844 PolarHBondContact OD1-N 3.22Å; D776-A844 PolarHBondContact OD2-N 2.96Å
845E27.1Very low31.4Very low78 Ų78110.3 Ų110.336%0.36463%0.627SS.*  64.5124.9124.7-71.9-177.1108.100120.6P737 R739P737-E845 WeakPolarHBondContact CB-OE1 3.5Å; P737-E845 VanDerWaalsContact CG-OE1 3.28Å; P737-E845 WeakPolarHBondContact CG-OE1 3.29Å; P737-E845 WeakPolarHBondContact CG-OE2 3.39Å; R739-E845 HydrophobicContact CG-CG 4.32Å
846S28.5Very low31.5Very low70 Ų70112.1 Ų112.149%0.4964%0.639SS.*  92.9132.156.4-171.40000110.7
847E28.4Very low31.7Very low75 Ų75113.1 Ų113.135%0.3565%0.645SS.*  cis-150.6-167.49.8-132.6163.9-155.400112.5A803 V804 D805 R810A803-E847 WeakPolarHBondContact CA-OE1 3.47Å; A803-E847 HydrophobicContact CB-CG 4.26Å; V804-E847 PolarHBondContact N-OE1 3.48Å; D805-E847 VanDerWaalsContact CA-OE2 3.23Å; D805-E847 WeakPolarHBondContact CA-OE2 3.49Å; D805-E847 PolarHBondContact N-OE2 2.91Å; D805-E847 WeakPolarHBondContact OD1-CB 3.49Å; D805-E847 VanDerWaalsContact OD1-CG 3.26Å; D805-E847 WeakPolarHBondContact OD1-CG 3.47Å; R810-E847 IonicContact CZ-OE1 2.65Å; R810-E847 IonicContact CZ-OE2 2.72Å; R810-E847 IonicContact NH2-OE1 3.34Å; R810-E847 PolarHBondContact NH2-OE1 3.07Å; R810-E847 IonicContact NH2-OE2 2.7Å; R810-E847 PolarHBondContact NH2-OE2 3.27Å
848G27.9Very low31.5Very low63 Ų63113.2 Ų113.265%0.64965%0.645SS**  trans-108.5-127.2-174.100000114.9D805D805-G848 WeakPolarHBondContact OD1-CA 3.4Å; D805-G848 PolarHBondContact OD1-N 3.32Å
849P42.1Very low31.7Very low88 Ų88118 Ų11857%0.57167%0.666SS**  cis-139.5-178.2-3.146.3-32.6000117.5D805D805-P849 HydrophobicContact CB-CB 4.49Å; D805-P849 HydrophobicContact CB-CG 3.8Å; D805-P849 VanDerWaalsContact CG-CB 3.47Å; D805-P849 WeakPolarHBondContact OD1-CB 3.39Å; D805-P849 WeakPolarHBondContact OD1-CD 3.43Å; D805-P849 WeakPolarHBondContact OD2-CB 3.34Å; D805-P849 VanDerWaalsContact OD2-CG 3.24Å; D805-P849 WeakPolarHBondContact OD2-CG 3.23Å
850A29.2Very low31.4Very low90 Ų90114.5 Ų114.574%0.74467%0.668SS**  trans62.8144.9140.700000122
851Q32.3Very low31.8Very low179 Ų179113.3 Ų113.384%0.83668%0.679SS**  cis179.7-162.2-17.3-128.8-172.9-0.500106.6
852P40.4Very low32Very low92 Ų92116 Ų11660%0.59770%0.698SS**  cis-130.7-171.1-39.440.4-24000113.8
853C26.3Very low32.2Very low116 Ų116112.7 Ų112.778%0.78470%0.699SS**  trans67.5152.1153.7-63.10000121.5
854P41.7Very low32.8Very low130 Ų130111.8 Ų111.884%0.84470%0.702SS**  -135.3153.3-54.836.8-20.6000113.8
855G24.6Very low33.7Very low71 Ų71116.9 Ų116.973%0.73272%0.724SS**  trans-179.7159173.600000116.3
856P33.8Very low35Very low127 Ų127118.6 Ų118.683%0.82573%0.73SS**  trans-76.1162.6-172.331.1-36.1000114.6
857P41.5Very low37.1Very low127 Ų127118.8 Ų118.883%0.82574%0.735SS**  trans-78.5135.7-150.328.9-36.5000115.5
858K26.7Very low39.7Very low203 Ų203118.8 Ų118.888%0.88374%0.742SS**  trans-136.4147.1154.8-78.4-169.8174.7-1800110.2
859L34.5Very low42.5Very low175 Ų175117.9 Ų117.992%0.91672%0.721SS**  trans-53.8131.3-175-63.2160.2000112.3P861L859-P861 WeakPolarHBondContact O-CD 3.49Å
860V26.8Very low44.8Very low138 Ų138116.5 Ų116.584%0.83671%0.713SS**  trans-102111170.6-83.60000110.5
861P37.2Very low47.7Very low124 Ų124112.9 Ų112.981%0.80568%0.681SS**  trans-90.3103.6171.333-29.7000110.5L859L859-P861 WeakPolarHBondContact O-CD 3.49Å
862S36.2Very low50.5Low122 Ų122107.1 Ų107.185%0.85366%0.658SS**  trans-142.388.4172.3-77.30000112
863A34.9Very low53Low81 Ų81102.8 Ų102.867%0.66963%0.63SS**SBendtrans-135149.9152.200000106.9L865A863-L865 PolarHBondContact O-N 2.95Å
864D41.5Very low55.9Low158 Ų15899.1 Ų99.185%0.84561%0.608SS**  trans-60106.2177.8-81-61000110.2K866D864-K866 PolarHBondContact O-N 3.48Å
865L45.5Very low58.2Low148 Ų14898.9 Ų98.978%0.77559%0.594SS**  trans-74.669.9177.7-67.2-176.1000110.7A863 A867A863-L865 PolarHBondContact O-N 2.95Å; L865-A867 PolarHBondContact O-N 3.01Å
866K56Low61.2Low114 Ų11499.2 Ų99.250%0.49658%0.579SS.*  trans-48.6111148.7-171.4-172.2178-155.20106.2D864 H869 G904D864-K866 PolarHBondContact O-N 3.48Å; K866-H869 PolarHBondContact NZ-NE2 3.28Å; K866-G904 WeakPolarHBondContact CD-O 3.34Å
867A71.9Confident63.8Low73 Ų7393.8 Ų93.860%0.60354%0.542SS*.  trans-52.7136.7-166.800000111L865 H869L865-A867 PolarHBondContact O-N 3.01Å; A867-H869 PolarHBondContact O-CD2 2.76Å; A867-H869 PolarHBondContact O-N 2.92Å; A867-H869 VanDerWaalsContact O-N 3.17Å
868P83.5Confident65.9Low75 Ų7590.3 Ų90.349%0.48752%0.517SS..  trans-53.3123.8-174-27.235.1000111.1T901 V902 F903P868-T901 HydrophobicContact CB-CG2 3.84Å; P868-V902 CarbonylContact C-O 3.58Å; P868-V902 VanDerWaalsContact CA-O 3.23Å; P868-V902 WeakPolarHBondContact CA-O 3.31Å; P868-F903 HydrophobicContact CB-CD1 3.89Å; P868-F903 HydrophobicContact CB-CE1 3.92Å; P868-F903 HydrophobicContact CG-CD1 3.6Å; P868-F903 HydrophobicContact CG-CE1 3.78Å
869H85Confident68.7Low44 Ų4480.9 Ų80.920%0.20448%0.476CS..EExtended strand (participates in β ladder)trans-122.1127.9-171.355.679.4000110.2K866 A867 M871 V902 G904 Y912K866-H869 PolarHBondContact NZ-NE2 3.28Å; A867-H869 PolarHBondContact O-CD2 2.76Å; A867-H869 PolarHBondContact O-N 2.92Å; A867-H869 VanDerWaalsContact O-N 3.17Å; H869-M871 PolarHBondContact CE1-SD 3.38Å; H869-V902 WeakPolarHBondContact CE1-CG1 3.41Å; H869-V902 PolarHBondContact N-O 3.24Å; H869-V902 WeakPolarHBondContact O-CB 3.23Å; H869-V902 PolarHBondContact O-N 3.04Å; H869-G904 PolarHBondContact NE2-O 2.93Å; H869-Y912 AromaticContact CE1-CE1 3.76Å
870S90.3Very high70.7Confident59 Ų5979 Ų7941%0.41346%0.462SS..EExtended strand (participates in β ladder)trans-73.2132.4179.6-50.80000110.5I900 P931S870-I900 CarbonylContact C-O 3.59Å; S870-I900 WeakPolarHBondContact CA-O 3.48Å; S870-P931 VanDerWaalsContact O-CD 3.27Å; S870-P931 WeakPolarHBondContact O-CD 3.49Å; S870-P931 VanDerWaalsContact O-CG 3.23Å; S870-P931 WeakPolarHBondContact O-CG 3.42Å
871M90.1Very high73.1Confident14 Ų1480.1 Ų80.17%0.06946%0.459CS..EExtended strand (participates in β ladder)trans-122.5155.8172.1-60.8-176.769.500109.2H869 I900 V902 Y912 L928H869-M871 PolarHBondContact CE1-SD 3.38Å; M871-I900 PolarHBondContact N-O 2.68Å; M871-I900 PolarHBondContact O-N 3Å; M871-V902 HydrophobicContact CG-CG2 4.26Å; M871-V902 HydrophobicContact SD-CB 4.37Å; M871-V902 HydrophobicContact SD-CG2 3.95Å; M871-Y912 HydrophobicContact CE-CE2 3.93Å; M871-Y912 HydrophobicContact SD-CD2 4.25Å; M871-Y912 HydrophobicContact SD-CE2 3.79Å; M871-L928 HydrophobicContact CB-CB 4.19Å; M871-L928 HydrophobicContact CB-CD1 4.03Å; M871-L928 HydrophobicContact CE-CB 3.8Å; M871-L928 HydrophobicContact CE-CD1 4.32Å; M871-L928 HydrophobicContact SD-CD1 4.02Å
872V91.9Very high74.6Confident58 Ų5877.2 Ų77.235%0.35244%0.441SS..EExtended strand (participates in β ladder)trans-106.7129.5-177-1750000109.2A874 D898 L928 E929V872-A874 PolarHBondContact O-N 3.03Å; V872-D898 WeakPolarHBondContact CA-O 3.38Å; V872-L928 CarbonylContact O-C 3.56Å; V872-L928 WeakPolarHBondContact O-CA 3.49Å; V872-E929 PolarHBondContact N-O 3.39Å; V872-E929 PolarHBondContact O-N 3.48Å
873A92.5Very high76.3Confident2 Ų272.3 Ų72.32%0.01741%0.407CS..EExtended strand (participates in β ladder)trans-62.5118.7171.800000110.5F894 R895 A896 G897 D898 I900 F927A873-F894 HydrophobicContact CB-CD2 3.45Å; A873-F894 VanDerWaalsContact CB-CD2 3.45Å; A873-F894 HydrophobicContact CB-CE2 3.8Å; A873-F894 HydrophobicContact CB-CG 4.44Å; A873-R895 WeakPolarHBondContact CB-O 3.47Å; A873-A896 CarbonylContact O-C 3.58Å; A873-A896 WeakPolarHBondContact O-CA 3.42Å; A873-G897 PolarHBondContact O-N 3.13Å; A873-D898 HydrophobicContact CB-CB 4.35Å; A873-D898 PolarHBondContact N-O 3.26Å; A873-I900 HydrophobicContact CB-CD1 4.17Å; A873-F927 CarbonylContact C-O 3.57Å; A873-F927 WeakPolarHBondContact CA-O 3.48Å
874A88.1Confident77.6Confident38 Ų3874.2 Ų74.231%0.31441%0.413SS..SBendtrans-80.5-23.4177.600000112.7V872 F927 E929V872-A874 PolarHBondContact O-N 3.03Å; A874-F927 PolarHBondContact N-O 3.13Å; A874-E929 HydrophobicContact CB-CB 4.23Å
875F88.9Confident78.8Confident125 Ų12570.3 Ų70.355%0.54839%0.391SS..SBendtrans-142159.5-176.9-52.9-70.6000110.3F927F875-F927 HydrophobicContact CB-CD1 3.92Å; F875-F927 HydrophobicContact CB-CE1 4.4Å
876D88.3Confident79.4Confident79 Ų7971.8 Ų71.842%0.42240%0.397SS..  trans-67.4143.2169.3-73.2-5.5000110.1R895 A896D876-R895 VanDerWaalsContact OD1-CA 3.28Å; D876-R895 WeakPolarHBondContact OD1-CA 3.47Å; D876-R895 WeakPolarHBondContact OD1-CB 3.44Å; D876-R895 IonicContact OD1-CZ 3.24Å; D876-R895 IonicContact OD1-NE 2.89Å; D876-R895 IonicContact OD1-NH2 2.87Å; D876-R895 PolarHBondContact OD1-NH2 3.24Å; D876-R895 IonicContact OD2-CZ 2.74Å; D876-R895 IonicContact OD2-NE 2.69Å; D876-R895 IonicContact OD2-NH2 3.82Å; D876-R895 PolarHBondContact OD2-NH2 2.86Å; D876-A896 PolarHBondContact OD1-N 3.04Å
877Y89.5Confident79.8Confident12 Ų1272.1 Ų72.15%0.04740%0.404CS..BIsolated β-bridgetrans-137.4118174.6-169.6-110.8000111.4P879 E891 F894 P924 F927Y877-P879 HydrophobicContact CD1-CG 4.24Å; Y877-P879 HydrophobicContact CE1-CB 4.48Å; Y877-P879 HydrophobicContact CE1-CG 3.93Å; Y877-E891 WeakPolarHBondContact CE1-OE2 3.49Å; Y877-E891 PolarHBondContact OH-OE2 2.9Å; Y877-F894 VanDerWaalsContact CB-CE2 3.45Å; Y877-F894 HydrophobicContact CD1-CD1 4.34Å; Y877-F894 AromaticContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CZ 4.03Å; Y877-F894 AromaticContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE2 4.42Å; Y877-F894 AromaticContact CG-CZ 3.81Å; Y877-F894 HydrophobicContact CG-CZ 3.81Å; Y877-F894 PolarHBondContact N-O 3.36Å; Y877-F894 PolarHBondContact O-N 3.09Å; Y877-F894 VanDerWaalsContact O-O 3.08Å; Y877-P924 HydrophobicContact CD1-CG 4.13Å; Y877-P924 HydrophobicContact CD2-CG 4.13Å; Y877-P924 HydrophobicContact CE1-CG 3.87Å; Y877-P924 HydrophobicContact CE2-CG 3.87Å; Y877-P924 HydrophobicContact CG-CG 4.25Å; Y877-F927 AromaticContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD2 4.3Å; Y877-F927 AromaticContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE2 4.05Å; Y877-F927 HydrophobicContact CD2-CG 4.24Å; Y877-F927 AromaticContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CE2-CE1 4.39Å; Y877-F927 HydrophobicContact CE2-CE2 4.13Å; Y877-F927 HydrophobicContact CE2-CZ 4.02Å; Y877-F927 HydrophobicContact CG-CD1 4.35Å; Y877-F927 HydrophobicContact CG-CE1 4.46Å
878N85.6Confident79.7Confident55 Ų5569.9 Ų69.929%0.29438%0.383SS..  trans-115.1111.3169.8-1794.5000108.8Q880 E881 S882N878-Q880 PolarHBondContact O-N 2.77Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.47Å; N878-Q880 VanDerWaalsContact OD1-N 3.16Å; N878-E881 HydrophobicContact CB-CB 4.3Å; N878-E881 PolarHBondContact ND2-OE1 2.87Å; N878-E881 PolarHBondContact O-N 2.98Å; N878-S882 VanDerWaalsContact O-CB 3.29Å; N878-S882 WeakPolarHBondContact O-CB 3.46Å; N878-S882 PolarHBondContact O-N 3.3Å; N878-S882 PolarHBondContact O-OG 2.67Å
879P85.3Confident79.3Confident5 Ų575.2 Ų75.23%0.03240%0.401CS..Hα-helixtrans-51.6-38.4177.8-28.134.7000113.4Y877 E881 S883 V888 E891 P893Y877-P879 HydrophobicContact CD1-CG 4.24Å; Y877-P879 HydrophobicContact CE1-CB 4.48Å; Y877-P879 HydrophobicContact CE1-CG 3.93Å; P879-E881 PolarHBondContact O-N 3.25Å; P879-S883 VanDerWaalsContact O-CB 3.24Å; P879-S883 WeakPolarHBondContact O-CB 3.48Å; P879-S883 PolarHBondContact O-N 2.97Å; P879-V888 HydrophobicContact CB-CB 4.15Å; P879-V888 HydrophobicContact CB-CG1 4.46Å; P879-E891 HydrophobicContact CB-CB 3.96Å; P879-E891 HydrophobicContact CG-CB 3.77Å; P879-P893 HydrophobicContact CG-CB 4.48Å
880Q76.3Confident79Confident134 Ų13475.4 Ų75.463%0.62641%0.411SS*.Hα-helixtrans-67.5-19.1-178.4-59.3-69.1-21.500114.1N878 V888N878-Q880 PolarHBondContact O-N 2.77Å; N878-Q880 WeakPolarHBondContact OD1-CB 3.41Å; N878-Q880 PolarHBondContact OD1-N 3.47Å; N878-Q880 VanDerWaalsContact OD1-N 3.16Å; Q880-V888 VanDerWaalsContact NE2-CG2 3.28Å
881E76.1Confident78.9Confident163 Ų16373 Ų7376%0.76239%0.393SS*.Hα-helixtrans-114-24.4179.5-69.6172.7-126.600113.1N878 P879N878-E881 HydrophobicContact CB-CB 4.3Å; N878-E881 PolarHBondContact ND2-OE1 2.87Å; N878-E881 PolarHBondContact O-N 2.98Å; P879-E881 PolarHBondContact O-N 3.25Å
882S70.3Confident78.9Confident62 Ų6272.6 Ų72.643%0.43439%0.391SS..Hα-helixtrans-119.9-18.9-166.7-59.40000114.6N878N878-S882 VanDerWaalsContact O-CB 3.29Å; N878-S882 WeakPolarHBondContact O-CB 3.46Å; N878-S882 PolarHBondContact O-N 3.3Å; N878-S882 PolarHBondContact O-OG 2.67Å
883S71.7Confident78.8Confident20 Ų2072.8 Ų72.814%0.1439%0.393CS..  trans-84134.4175.2-171.70000110.9P879 N885 E891P879-S883 VanDerWaalsContact O-CB 3.24Å; P879-S883 WeakPolarHBondContact O-CB 3.48Å; P879-S883 PolarHBondContact O-N 2.97Å; S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 WeakPolarHBondContact OG-CB 3.37Å; S883-N885 PolarHBondContact OG-N 3.27Å; S883-N885 VanDerWaalsContact OG-N 3.09Å; S883-N885 PolarHBondContact OG-ND2 3.39Å; S883-E891 WeakPolarHBondContact CB-OE1 3.49Å; S883-E891 WeakPolarHBondContact CB-OE2 3.46Å; S883-E891 VanDerWaalsContact OG-CD 3.31Å; S883-E891 PolarHBondContact OG-OE1 3.12Å; S883-E891 PolarHBondContact OG-OE2 2.99Å
884P61Low78.8Confident121 Ų12173.1 Ų73.179%0.78639%0.394SS*.  trans-860.6167.737.3-35.6000112.8
885N67.1Low78.9Confident75 Ų7578.4 Ų78.440%0.40141%0.406SS..SBendtrans-84.5154.4-179-58.3-33.9000110.7S883 E891S883-N885 VanDerWaalsContact C-N 3.29Å; S883-N885 WeakPolarHBondContact OG-CB 3.37Å; S883-N885 PolarHBondContact OG-N 3.27Å; S883-N885 VanDerWaalsContact OG-N 3.09Å; S883-N885 PolarHBondContact OG-ND2 3.39Å; N885-E891 PolarHBondContact ND2-OE1 2.87Å
886M58.9Low79Confident179 Ų17974.9 Ų74.988%0.88240%0.4SS*.SBendtrans-77.4-31.5172.9-69.6179.761.300111.9V888M886-V888 PolarHBondContact O-N 3.15Å
887D63.1Low78.8Confident121 Ų12173.5 Ų73.565%0.64740%0.404SS*.  trans-83.449.1-176-50.6-68.1000112.7E889 A890D887-E889 PolarHBondContact O-N 2.86Å; D887-A890 HydrophobicContact CB-CB 4.41Å; D887-A890 WeakPolarHBondContact O-CB 3.25Å; D887-A890 PolarHBondContact O-N 2.97Å
888V71.4Confident78.9Confident27 Ų2775.4 Ų75.416%0.16442%0.415CS..G310 helixtrans-55.1-20.2178.8-690000114P879 Q880 M886P879-V888 HydrophobicContact CB-CB 4.15Å; P879-V888 HydrophobicContact CB-CG1 4.46Å; Q880-V888 VanDerWaalsContact NE2-CG2 3.28Å; M886-V888 PolarHBondContact O-N 3.15Å
889E73.4Confident79.2Confident186 Ų18676.9 Ų76.987%0.86943%0.426SS*.G310 helixtrans-75.8-21.1176.4-57.3-177.7171.800113.3D887 E891D887-E889 PolarHBondContact O-N 2.86Å; E889-E891 VanDerWaalsContact C-N 3.35Å
890A79.7Confident79.6Confident49 Ų4976.6 Ų76.641%0.40543%0.425SS..G310 helixtrans-85.1-9.717600000112.9D887 G921 L922D887-A890 HydrophobicContact CB-CB 4.41Å; D887-A890 WeakPolarHBondContact O-CB 3.25Å; D887-A890 PolarHBondContact O-N 2.97Å; A890-G921 CarbonylContact O-C 3.54Å; A890-G921 WeakPolarHBondContact O-CA 3.4Å; A890-L922 PolarHBondContact O-N 2.97Å
891E88.7Confident80.4Confident9 Ų972.5 Ų72.54%0.04241%0.409CS..BIsolated β-bridgetrans-100.1144.5-179-69.3-176.4-14300112.1Y877 P879 S883 N885 E889 P893 F911 L922Y877-E891 WeakPolarHBondContact CE1-OE2 3.49Å; Y877-E891 PolarHBondContact OH-OE2 2.9Å; P879-E891 HydrophobicContact CB-CB 3.96Å; P879-E891 HydrophobicContact CG-CB 3.77Å; S883-E891 WeakPolarHBondContact CB-OE1 3.49Å; S883-E891 WeakPolarHBondContact CB-OE2 3.46Å; S883-E891 VanDerWaalsContact OG-CD 3.31Å; S883-E891 PolarHBondContact OG-OE1 3.12Å; S883-E891 PolarHBondContact OG-OE2 2.99Å; N885-E891 PolarHBondContact ND2-OE1 2.87Å; E889-E891 VanDerWaalsContact C-N 3.35Å; E891-P893 WeakPolarHBondContact O-CD 3.43Å; E891-F911 HydrophobicContact CG-CE1 4.5Å; E891-L922 WeakPolarHBondContact CA-O 3.27Å; E891-L922 HydrophobicContact CG-CB 4.25Å
892L89.5Confident81.1Confident4 Ų464.7 Ų64.72%0.02137%0.372CS..PPolyproline II helixtrans-88.5123-175.6-163.266.8000110.7F894 I900 L916 Q919 L922 V923L892-F894 WeakPolarHBondContact O-CD1 3.41Å; L892-F894 WeakPolarHBondContact O-CE1 3.38Å; L892-I900 HydrophobicContact CD2-CG2 4.18Å; L892-L916 HydrophobicContact CD2-CB 3.7Å; L892-L916 HydrophobicContact CG-CB 4.3Å; L892-Q919 HydrophobicContact CD1-CB 3.8Å; L892-Q919 WeakPolarHBondContact CD1-O 3.45Å; L892-L922 PolarHBondContact N-O 3.42Å; L892-V923 HydrophobicContact CB-CG2 3.92Å; L892-V923 HydrophobicContact CD2-CG2 3.7Å
893P90.3Very high82Confident63 Ų6364.3 Ų64.341%0.40936%0.363SS..PPolyproline II helixtrans-75.8137.916930.4-33.1000110.9P879 E891P879-P893 HydrophobicContact CG-CB 4.48Å; E891-P893 WeakPolarHBondContact O-CD 3.43Å
894F91.9Very high82.6Confident8 Ų864 Ų644%0.03536%0.363CS..BIsolated β-bridgetrans-156.8166.8179.257.6-96.9000112.7A873 Y877 L892 D898 I900 L916 V923 P924 F927 L928A873-F894 HydrophobicContact CB-CD2 3.45Å; A873-F894 VanDerWaalsContact CB-CD2 3.45Å; A873-F894 HydrophobicContact CB-CE2 3.8Å; A873-F894 HydrophobicContact CB-CG 4.44Å; Y877-F894 VanDerWaalsContact CB-CE2 3.45Å; Y877-F894 HydrophobicContact CD1-CD1 4.34Å; Y877-F894 AromaticContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CE1 3.67Å; Y877-F894 HydrophobicContact CD1-CZ 4.03Å; Y877-F894 AromaticContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE1 3.93Å; Y877-F894 HydrophobicContact CG-CE2 4.42Å; Y877-F894 AromaticContact CG-CZ 3.81Å; Y877-F894 HydrophobicContact CG-CZ 3.81Å; Y877-F894 PolarHBondContact N-O 3.36Å; Y877-F894 PolarHBondContact O-N 3.09Å; Y877-F894 VanDerWaalsContact O-O 3.08Å; L892-F894 WeakPolarHBondContact O-CD1 3.41Å; L892-F894 WeakPolarHBondContact O-CE1 3.38Å; F894-D898 HydrophobicContact CB-CB 4.44Å; F894-I900 HydrophobicContact CB-CD1 3.85Å; F894-I900 HydrophobicContact CD1-CD1 3.75Å; F894-I900 HydrophobicContact CD2-CD1 3.88Å; F894-I900 HydrophobicContact CE1-CD1 4.26Å; F894-I900 HydrophobicContact CE2-CD1 4.34Å; F894-I900 HydrophobicContact CG-CD1 3.55Å; F894-L916 HydrophobicContact CB-CD2 3.51Å; F894-V923 HydrophobicContact CD1-CG1 4.19Å; F894-V923 HydrophobicContact CE1-CG1 3.56Å; F894-V923 HydrophobicContact CZ-CG1 4.04Å; F894-P924 HydrophobicContact CZ-CG 4.42Å; F894-F927 HydrophobicContact CE2-CB 3.84Å; F894-F927 HydrophobicContact CZ-CB 3.7Å; F894-F927 HydrophobicContact CZ-CG 4.38Å; F894-L928 HydrophobicContact CE2-CD2 4.43Å; F894-L928 HydrophobicContact CZ-CD2 4.38Å
895R90.4Very high83.4Confident149 Ų14960.5 Ų60.556%0.56235%0.348SS*.  trans-121.5154.3-177.7-59.3-156.666.3-98.6-15112.3A873 D876 G897 D898A873-R895 WeakPolarHBondContact CB-O 3.47Å; D876-R895 VanDerWaalsContact OD1-CA 3.28Å; D876-R895 WeakPolarHBondContact OD1-CA 3.47Å; D876-R895 WeakPolarHBondContact OD1-CB 3.44Å; D876-R895 IonicContact OD1-CZ 3.24Å; D876-R895 IonicContact OD1-NE 2.89Å; D876-R895 IonicContact OD1-NH2 2.87Å; D876-R895 PolarHBondContact OD1-NH2 3.24Å; D876-R895 IonicContact OD2-CZ 2.74Å; D876-R895 IonicContact OD2-NE 2.69Å; D876-R895 IonicContact OD2-NH2 3.82Å; D876-R895 PolarHBondContact OD2-NH2 2.86Å; R895-G897 PolarHBondContact O-N 2.84Å; R895-D898 PolarHBondContact N-OD2 3.1Å; R895-D898 VanDerWaalsContact O-CB 3.24Å; R895-D898 WeakPolarHBondContact O-CB 3.49Å; R895-D898 VanDerWaalsContact O-CG 3.3Å; R895-D898 PolarHBondContact O-N 2.98Å
896A90Very high84.3Confident52 Ų5261.6 Ų61.643%0.4335%0.352SS..THydrogen-bonded Turntrans-57.4121.7177.800000110.8A873 D876A873-A896 CarbonylContact O-C 3.58Å; A873-A896 WeakPolarHBondContact O-CA 3.42Å; D876-A896 PolarHBondContact OD1-N 3.04Å
897G85.4Confident85.5Confident49 Ų4955.8 Ų55.851%0.50533%0.325SS..THydrogen-bonded Turntrans101.3-12-173.100000115A873 R895A873-G897 PolarHBondContact O-N 3.13Å; R895-G897 PolarHBondContact O-N 2.84Å
898D91.5Very high86.1Confident52 Ų5258.5 Ų58.528%0.27834%0.34SS..  trans-65.9140176.7-73.2-18000111.5V872 A873 F894 R895 L916V872-D898 WeakPolarHBondContact CA-O 3.38Å; A873-D898 HydrophobicContact CB-CB 4.35Å; A873-D898 PolarHBondContact N-O 3.26Å; F894-D898 HydrophobicContact CB-CB 4.44Å; R895-D898 PolarHBondContact N-OD2 3.1Å; R895-D898 VanDerWaalsContact O-CB 3.24Å; R895-D898 WeakPolarHBondContact O-CB 3.49Å; R895-D898 VanDerWaalsContact O-CG 3.3Å; R895-D898 PolarHBondContact O-N 2.98Å; D898-L916 HydrophobicContact CB-CD1 4.05Å; D898-L916 HydrophobicContact CB-CD2 3.95Å
899V91.4Very high86.4Confident86 Ų8662.5 Ų62.552%0.52136%0.36SS..EExtended strand (participates in β ladder)trans-100.4101.8-178.7-176.70000109
900I93.1Very high87Confident0 Ų054.2 Ų54.20%032%0.324CS..EExtended strand (participates in β ladder)trans-98.4128.6-173-61.2162000108.6S870 M871 A873 L892 F894 V902 L916 V923 L928S870-I900 CarbonylContact C-O 3.59Å; S870-I900 WeakPolarHBondContact CA-O 3.48Å; M871-I900 PolarHBondContact N-O 2.68Å; M871-I900 PolarHBondContact O-N 3Å; A873-I900 HydrophobicContact CB-CD1 4.17Å; L892-I900 HydrophobicContact CD2-CG2 4.18Å; F894-I900 HydrophobicContact CB-CD1 3.85Å; F894-I900 HydrophobicContact CD1-CD1 3.75Å; F894-I900 HydrophobicContact CD2-CD1 3.88Å; F894-I900 HydrophobicContact CE1-CD1 4.26Å; F894-I900 HydrophobicContact CE2-CD1 4.34Å; F894-I900 HydrophobicContact CG-CD1 3.55Å; I900-V902 PolarHBondContact O-N 3.11Å; I900-L916 HydrophobicContact CG1-CB 4.24Å; I900-L916 HydrophobicContact CG1-CD1 4.18Å; I900-L916 HydrophobicContact CG1-CD2 4.13Å; I900-L916 HydrophobicContact CG1-CG 4.41Å; I900-V923 HydrophobicContact CD1-CG1 4.03Å; I900-V923 HydrophobicContact CG2-CG1 4.29Å; I900-V923 HydrophobicContact CG2-CG2 4.13Å; I900-L928 HydrophobicContact CD1-CD2 3.67Å
901T92.4Very high87.5Confident47 Ų4753.6 Ų53.629%0.28831%0.313SS..EExtended strand (participates in β ladder)trans-87.4111.3177.6-60.60000109.3P868 F903 G914 E915P868-T901 HydrophobicContact CB-CG2 3.84Å; T901-F903 HydrophobicContact CG2-CE1 4.48Å; T901-F903 HydrophobicContact CG2-CE2 3.94Å; T901-F903 HydrophobicContact CG2-CZ 3.84Å; T901-F903 WeakPolarHBondContact O-CD2 3.48Å; T901-F903 WeakPolarHBondContact O-CE2 3.26Å; T901-G914 CarbonylContact O-C 3.57Å; T901-G914 VanDerWaalsContact O-CA 3.27Å; T901-G914 WeakPolarHBondContact O-CA 3.39Å; T901-E915 PolarHBondContact N-O 3.46Å; T901-E915 PolarHBondContact O-N 3.35Å
902V92.8Very high87.6Confident0 Ų054.8 Ų54.80%032%0.317CS..EExtended strand (participates in β ladder)trans-92.2135.8-179.9165.60000110.8P868 H869 M871 I900 Y912 L928P868-V902 CarbonylContact C-O 3.58Å; P868-V902 VanDerWaalsContact CA-O 3.23Å; P868-V902 WeakPolarHBondContact CA-O 3.31Å; H869-V902 WeakPolarHBondContact CE1-CG1 3.41Å; H869-V902 PolarHBondContact N-O 3.24Å; H869-V902 WeakPolarHBondContact O-CB 3.23Å; H869-V902 PolarHBondContact O-N 3.04Å; M871-V902 HydrophobicContact CG-CG2 4.26Å; M871-V902 HydrophobicContact SD-CB 4.37Å; M871-V902 HydrophobicContact SD-CG2 3.95Å; I900-V902 PolarHBondContact O-N 3.11Å; V902-Y912 HydrophobicContact CG1-CD1 3.39Å; V902-Y912 HydrophobicContact CG1-CE1 4.08Å; V902-Y912 HydrophobicContact CG1-CG 3.67Å; V902-Y912 HydrophobicContact CG2-CD2 4.33Å; V902-Y912 HydrophobicContact CG2-CG 4.03Å; V902-L928 HydrophobicContact CG2-CD1 3.99Å
903F88.1Confident87.7Confident54 Ų5459.8 Ų59.824%0.23734%0.336CS..EExtended strand (participates in β ladder)trans-110129.8179.9-59.3-98.9000110.6P868 T901 Y913 E915P868-F903 HydrophobicContact CB-CD1 3.89Å; P868-F903 HydrophobicContact CB-CE1 3.92Å; P868-F903 HydrophobicContact CG-CD1 3.6Å; P868-F903 HydrophobicContact CG-CE1 3.78Å; T901-F903 HydrophobicContact CG2-CE1 4.48Å; T901-F903 HydrophobicContact CG2-CE2 3.94Å; T901-F903 HydrophobicContact CG2-CZ 3.84Å; T901-F903 WeakPolarHBondContact O-CD2 3.48Å; T901-F903 WeakPolarHBondContact O-CE2 3.26Å; F903-Y913 HydrophobicContact CB-CD1 4.4Å; F903-Y913 HydrophobicContact CD2-CD1 4.36Å; F903-Y913 PolarHBondContact N-O 3.38Å; F903-E915 HydrophobicContact CE2-CB 3.61Å; F903-E915 HydrophobicContact CZ-CB 4.18Å
904G84.1Confident87.8Confident13 Ų1356.8 Ų56.813%0.13432%0.317CS..EExtended strand (participates in β ladder)trans74-147.8174.400000114.7K866 H869K866-G904 WeakPolarHBondContact CD-O 3.34Å; H869-G904 PolarHBondContact NE2-O 2.93Å
905G78.8Confident87.9Confident47 Ų4759 Ų5949%0.48533%0.327SS..EExtended strand (participates in β ladder)trans-79.8175.8177.900000113.4Y912G905-Y912 WeakPolarHBondContact O-CD1 3.31Å
906M85.6Confident87.8Confident99 Ų9952.6 Ų52.649%0.48830%0.304SS..EExtended strand (participates in β ladder)trans-78.8141.8153.5-162.1-179.273.900106.5F911 Y912M906-F911 WeakPolarHBondContact CA-O 3.36Å; M906-F911 WeakPolarHBondContact CG-O 3.26Å; M906-Y912 HydrophobicContact CB-CD1 3.95Å; M906-Y912 HydrophobicContact CB-CE1 3.43Å; M906-Y912 VanDerWaalsContact CB-CE1 3.43Å; M906-Y912 HydrophobicContact CG-CD1 4.2Å; M906-Y912 HydrophobicContact CG-CE1 3.88Å; M906-Y912 HydrophobicContact CG-CE2 4.44Å
907D84.6Confident87.6Confident56 Ų5657.3 Ų57.330%0.29932%0.322SS..  trans-77.6172.8171.555.152.9000112.1D909 G910 F911D907-D909 PolarHBondContact O-N 3.34Å; D907-D909 PolarHBondContact OD1-N 3.34Å; D907-G910 PolarHBondContact O-N 3.22Å; D907-G910 VanDerWaalsContact O-N 3.17Å; D907-G910 PolarHBondContact OD1-N 3.01Å; D907-F911 PolarHBondContact N-O 3.06Å; D907-F911 PolarHBondContact OD1-N 3.17Å; D907-F911 VanDerWaalsContact OD2-C 3.3Å; D907-F911 VanDerWaalsContact OD2-CB 3.32Å; D907-F911 WeakPolarHBondContact OD2-CB 3.46Å
908D75.4Confident87.4Confident179 Ų17957.7 Ų57.796%0.95733%0.326SS*.THydrogen-bonded Turntrans-68.5-19.3-177.7-69.3-45.5000113.1
909D78.2Confident87Confident111 Ų11161 Ų6159%0.59434%0.34SS*.THydrogen-bonded Turntrans-86.5-9.1174.8-81.3-65.3000113.3D907 F911D907-D909 PolarHBondContact O-N 3.34Å; D907-D909 PolarHBondContact OD1-N 3.34Å; D909-F911 HydrophobicContact CB-CD2 4.19Å
910G85.1Confident87Confident12 Ų1263.6 Ų63.612%0.12434%0.34CS..SBendtrans90.519.6176.400000114.5D907 S925D907-G910 PolarHBondContact O-N 3.22Å; D907-G910 VanDerWaalsContact O-N 3.17Å; D907-G910 PolarHBondContact OD1-N 3.01Å; G910-S925 WeakPolarHBondContact O-CB 3.49Å; G910-S925 PolarHBondContact O-N 3.13Å; G910-S925 PolarHBondContact O-OG 2.94Å
911F89.7Confident86.9Confident35 Ų3563.8 Ų63.815%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-97.7168.3170.3-67.6-107.6000110.8E891 M906 D907 D909 L922 V923 P924E891-F911 HydrophobicContact CG-CE1 4.5Å; M906-F911 WeakPolarHBondContact CA-O 3.36Å; M906-F911 WeakPolarHBondContact CG-O 3.26Å; D907-F911 PolarHBondContact N-O 3.06Å; D907-F911 PolarHBondContact OD1-N 3.17Å; D907-F911 VanDerWaalsContact OD2-C 3.3Å; D907-F911 VanDerWaalsContact OD2-CB 3.32Å; D907-F911 WeakPolarHBondContact OD2-CB 3.46Å; D909-F911 HydrophobicContact CB-CD2 4.19Å; F911-L922 HydrophobicContact CB-CB 4.28Å; F911-L922 HydrophobicContact CB-CD2 4.5Å; F911-L922 HydrophobicContact CD1-CB 3.92Å; F911-L922 HydrophobicContact CG-CB 4.38Å; F911-V923 CarbonylContact C-O 3.6Å; F911-V923 WeakPolarHBondContact CA-O 3.33Å; F911-P924 HydrophobicContact CD1-CB 3.92Å; F911-P924 HydrophobicContact CD1-CG 4.49Å; F911-P924 HydrophobicContact CE1-CB 3.72Å; F911-P924 HydrophobicContact CE1-CG 4.2Å; F911-P924 HydrophobicContact CZ-CB 4.27Å
912Y91.8Very high86.8Confident34 Ų3464.4 Ų64.413%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-122.6139170.7-73.9-64.6000108.5H869 M871 V902 G905 M906 G914 L922 V923 S925 L928H869-Y912 AromaticContact CE1-CE1 3.76Å; M871-Y912 HydrophobicContact CE-CE2 3.93Å; M871-Y912 HydrophobicContact SD-CD2 4.25Å; M871-Y912 HydrophobicContact SD-CE2 3.79Å; V902-Y912 HydrophobicContact CG1-CD1 3.39Å; V902-Y912 HydrophobicContact CG1-CE1 4.08Å; V902-Y912 HydrophobicContact CG1-CG 3.67Å; V902-Y912 HydrophobicContact CG2-CD2 4.33Å; V902-Y912 HydrophobicContact CG2-CG 4.03Å; G905-Y912 WeakPolarHBondContact O-CD1 3.31Å; M906-Y912 HydrophobicContact CB-CD1 3.95Å; M906-Y912 HydrophobicContact CB-CE1 3.43Å; M906-Y912 VanDerWaalsContact CB-CE1 3.43Å; M906-Y912 HydrophobicContact CG-CD1 4.2Å; M906-Y912 HydrophobicContact CG-CE1 3.88Å; M906-Y912 HydrophobicContact CG-CE2 4.44Å; Y912-G914 PolarHBondContact O-N 3.02Å; Y912-L922 CarbonylContact O-C 3.52Å; Y912-V923 PolarHBondContact N-O 3.31Å; Y912-V923 WeakPolarHBondContact O-CB 3.35Å; Y912-V923 PolarHBondContact O-N 2.86Å; Y912-S925 VanDerWaalsContact CE2-CB 3.42Å; Y912-L928 HydrophobicContact CD2-CD1 3.7Å; Y912-L928 HydrophobicContact CE2-CD1 4.25Å
913Y91.6Very high86.8Confident110 Ų11064.4 Ų64.443%0.43134%0.343SS..EExtended strand (participates in β ladder)trans-74.3116.1164.5-166.4-99.7000108.8F903 R920 L922F903-Y913 HydrophobicContact CB-CD1 4.4Å; F903-Y913 HydrophobicContact CD2-CD1 4.36Å; F903-Y913 PolarHBondContact N-O 3.38Å; Y913-R920 HydrophobicContact CE1-CB 4.43Å; Y913-L922 HydrophobicContact CD2-CD2 4.42Å
914G92.1Very high86.9Confident0 Ų062.2 Ų62.20%033%0.334CS..EExtended strand (participates in β ladder)trans-132.2157.8-17100000114T901 Y912 R920 G921T901-G914 CarbonylContact O-C 3.57Å; T901-G914 VanDerWaalsContact O-CA 3.27Å; T901-G914 WeakPolarHBondContact O-CA 3.39Å; Y912-G914 PolarHBondContact O-N 3.02Å; G914-R920 WeakPolarHBondContact O-CA 3.43Å; G914-G921 PolarHBondContact N-O 3.2Å; G914-G921 PolarHBondContact O-N 3.22Å
915E92.9Very high87.1Confident54 Ų5462.9 Ų62.925%0.25234%0.337SS..EExtended strand (participates in β ladder)trans-124.2132.5173.5-170.4178.1147.300110.8T901 F903 Q919 R920T901-E915 PolarHBondContact N-O 3.46Å; T901-E915 PolarHBondContact O-N 3.35Å; F903-E915 HydrophobicContact CE2-CB 3.61Å; F903-E915 HydrophobicContact CZ-CB 4.18Å; E915-Q919 VanDerWaalsContact CA-O 3.26Å; E915-Q919 WeakPolarHBondContact CA-O 3.36Å; E915-Q919 WeakPolarHBondContact CG-O 3.27Å; E915-R920 HydrophobicContact CB-CG 3.95Å; E915-R920 HydrophobicContact CG-CG 3.81Å; E915-R920 IonicContact OE2-CZ 2.71Å; E915-R920 IonicContact OE2-NE 3.87Å; E915-R920 PolarHBondContact OE2-NE 2.89Å; E915-R920 IonicContact OE2-NH2 3.65Å; E915-R920 PolarHBondContact OE2-NH2 3.15Å
916L89.9Confident87.6Confident15 Ų1567.2 Ų67.28%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-138.3129.6173.7-179.162.9000108.3L892 F894 D898 I900 G918 Q919L892-L916 HydrophobicContact CD2-CB 3.7Å; L892-L916 HydrophobicContact CG-CB 4.3Å; F894-L916 HydrophobicContact CB-CD2 3.51Å; D898-L916 HydrophobicContact CB-CD1 4.05Å; D898-L916 HydrophobicContact CB-CD2 3.95Å; I900-L916 HydrophobicContact CG1-CB 4.24Å; I900-L916 HydrophobicContact CG1-CD1 4.18Å; I900-L916 HydrophobicContact CG1-CD2 4.13Å; I900-L916 HydrophobicContact CG1-CG 4.41Å; L916-G918 PolarHBondContact O-N 3.42Å; L916-Q919 PolarHBondContact N-O 3.08Å; L916-Q919 PolarHBondContact O-N 3.27Å
917N84.3Confident87.8Confident151 Ų15165.2 Ų65.281%0.80734%0.337SS*.THydrogen-bonded Turntrans52.526.7179.2-57.3-37.1000114.7Q919N917-Q919 VanDerWaalsContact C-N 3.29Å; N917-Q919 PolarHBondContact O-N 3.43Å
918G81.8Confident88Confident56 Ų5663.3 Ų63.358%0.57733%0.327SS*.THydrogen-bonded Turntrans81.9-5-176.500000115.4L916L916-G918 PolarHBondContact O-N 3.42Å
919Q84.3Confident88.6Confident122 Ų12261.5 Ų61.557%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-84.3142.8167.6-67.6-178.2-1700109.7L892 E915 L916 N917L892-Q919 HydrophobicContact CD1-CB 3.8Å; L892-Q919 WeakPolarHBondContact CD1-O 3.45Å; E915-Q919 VanDerWaalsContact CA-O 3.26Å; E915-Q919 WeakPolarHBondContact CA-O 3.36Å; E915-Q919 WeakPolarHBondContact CG-O 3.27Å; L916-Q919 PolarHBondContact N-O 3.08Å; L916-Q919 PolarHBondContact O-N 3.27Å; N917-Q919 VanDerWaalsContact C-N 3.29Å; N917-Q919 PolarHBondContact O-N 3.43Å
920R90.2Very high88.2Confident141 Ų14158.1 Ų58.153%0.53230%0.304SS..EExtended strand (participates in β ladder)trans-122.3139.5-179.8-70.3-177.1171.7-173.9-2.3110.9Y913 G914 E915Y913-R920 HydrophobicContact CE1-CB 4.43Å; G914-R920 WeakPolarHBondContact O-CA 3.43Å; E915-R920 HydrophobicContact CB-CG 3.95Å; E915-R920 HydrophobicContact CG-CG 3.81Å; E915-R920 IonicContact OE2-CZ 2.71Å; E915-R920 IonicContact OE2-NE 3.87Å; E915-R920 PolarHBondContact OE2-NE 2.89Å; E915-R920 IonicContact OE2-NH2 3.65Å; E915-R920 PolarHBondContact OE2-NH2 3.15Å
921G90.4Very high86.9Confident4 Ų461.4 Ų61.44%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-173-178.2178.300000112.3A890 G914A890-G921 CarbonylContact O-C 3.54Å; A890-G921 WeakPolarHBondContact O-CA 3.4Å; G914-G921 PolarHBondContact N-O 3.2Å; G914-G921 PolarHBondContact O-N 3.22Å
922L92.1Very high84.7Confident60 Ų6062.4 Ų62.431%0.31434%0.344SS..EExtended strand (participates in β ladder)trans-76.4139.2171.8-62.2175.7000110.3A890 E891 L892 F911 Y912 Y913A890-L922 PolarHBondContact O-N 2.97Å; E891-L922 WeakPolarHBondContact CA-O 3.27Å; E891-L922 HydrophobicContact CG-CB 4.25Å; L892-L922 PolarHBondContact N-O 3.42Å; F911-L922 HydrophobicContact CB-CB 4.28Å; F911-L922 HydrophobicContact CB-CD2 4.5Å; F911-L922 HydrophobicContact CD1-CB 3.92Å; F911-L922 HydrophobicContact CG-CB 4.38Å; Y912-L922 CarbonylContact O-C 3.52Å; Y913-L922 HydrophobicContact CD2-CD2 4.42Å
923V91.7Very high82.5Confident0 Ų067.1 Ų67.10%038%0.378CS..EExtended strand (participates in β ladder)trans-131.1111.7-172.2-169.20000108.9L892 F894 I900 F911 Y912 S925 L928L892-V923 HydrophobicContact CB-CG2 3.92Å; L892-V923 HydrophobicContact CD2-CG2 3.7Å; F894-V923 HydrophobicContact CD1-CG1 4.19Å; F894-V923 HydrophobicContact CE1-CG1 3.56Å; F894-V923 HydrophobicContact CZ-CG1 4.04Å; I900-V923 HydrophobicContact CD1-CG1 4.03Å; I900-V923 HydrophobicContact CG2-CG1 4.29Å; I900-V923 HydrophobicContact CG2-CG2 4.13Å; F911-V923 CarbonylContact C-O 3.6Å; F911-V923 WeakPolarHBondContact CA-O 3.33Å; Y912-V923 PolarHBondContact N-O 3.31Å; Y912-V923 WeakPolarHBondContact O-CB 3.35Å; Y912-V923 PolarHBondContact O-N 2.86Å; V923-S925 PolarHBondContact O-N 2.94Å; V923-L928 HydrophobicContact CG1-CD1 3.75Å; V923-L928 HydrophobicContact CG1-CD2 3.77Å; V923-L928 HydrophobicContact CG1-CG 4.01Å
924P90.4Very high80Confident8 Ų870.2 Ų70.25%0.05240%0.397CS..EExtended strand (participates in β ladder)trans-67.2120.1-174.224.7-33.6000111.6Y877 F894 F911 N926 F927Y877-P924 HydrophobicContact CD1-CG 4.13Å; Y877-P924 HydrophobicContact CD2-CG 4.13Å; Y877-P924 HydrophobicContact CE1-CG 3.87Å; Y877-P924 HydrophobicContact CE2-CG 3.87Å; Y877-P924 HydrophobicContact CG-CG 4.25Å; F894-P924 HydrophobicContact CZ-CG 4.42Å; F911-P924 HydrophobicContact CD1-CB 3.92Å; F911-P924 HydrophobicContact CD1-CG 4.49Å; F911-P924 HydrophobicContact CE1-CB 3.72Å; F911-P924 HydrophobicContact CE1-CG 4.2Å; F911-P924 HydrophobicContact CZ-CB 4.27Å; P924-N926 PolarHBondContact O-N 3.07Å; P924-N926 VanDerWaalsContact O-N 3.08Å; P924-F927 HydrophobicContact CB-CD2 3.93Å; P924-F927 HydrophobicContact CB-CE2 4.46Å; P924-F927 HydrophobicContact CG-CB 4.39Å; P924-F927 HydrophobicContact CG-CD2 3.65Å; P924-F927 HydrophobicContact CG-CE2 4.23Å; P924-F927 HydrophobicContact CG-CG 4.19Å; P924-F927 PolarHBondContact O-N 2.83Å
925S88.9Confident77.4Confident26 Ų2673.3 Ų73.318%0.18242%0.423CS..G310 helixtrans-55.7-32.1-174.2610000114.2G910 Y912 V923 F927 L928G910-S925 WeakPolarHBondContact O-CB 3.49Å; G910-S925 PolarHBondContact O-N 3.13Å; G910-S925 PolarHBondContact O-OG 2.94Å; Y912-S925 VanDerWaalsContact CE2-CB 3.42Å; V923-S925 PolarHBondContact O-N 2.94Å; S925-F927 PolarHBondContact O-N 3Å; S925-F927 VanDerWaalsContact O-N 3.13Å; S925-L928 PolarHBondContact O-N 3.37Å
926N89.9Confident74.4Confident138 Ų13873.9 Ų73.974%0.73844%0.443SS*.G310 helixtrans-59.9-20.7177.5-65.7-70000114.1P924P924-N926 PolarHBondContact O-N 3.07Å; P924-N926 VanDerWaalsContact O-N 3.08Å
927F88.1Confident71.8Confident57 Ų5775.8 Ų75.825%0.2547%0.466CS..G310 helixtrans-96.4-3.5179.3-70.8-108.4000112.5A873 A874 F875 Y877 F894 P924 S925A873-F927 CarbonylContact C-O 3.57Å; A873-F927 WeakPolarHBondContact CA-O 3.48Å; A874-F927 PolarHBondContact N-O 3.13Å; F875-F927 HydrophobicContact CB-CD1 3.92Å; F875-F927 HydrophobicContact CB-CE1 4.4Å; Y877-F927 AromaticContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD1 3.87Å; Y877-F927 HydrophobicContact CD2-CD2 4.3Å; Y877-F927 AromaticContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE1 3.6Å; Y877-F927 HydrophobicContact CD2-CE2 4.05Å; Y877-F927 HydrophobicContact CD2-CG 4.24Å; Y877-F927 AromaticContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CD2-CZ 3.7Å; Y877-F927 HydrophobicContact CE2-CE1 4.39Å; Y877-F927 HydrophobicContact CE2-CE2 4.13Å; Y877-F927 HydrophobicContact CE2-CZ 4.02Å; Y877-F927 HydrophobicContact CG-CD1 4.35Å; Y877-F927 HydrophobicContact CG-CE1 4.46Å; F894-F927 HydrophobicContact CE2-CB 3.84Å; F894-F927 HydrophobicContact CZ-CB 3.7Å; F894-F927 HydrophobicContact CZ-CG 4.38Å; P924-F927 HydrophobicContact CB-CD2 3.93Å; P924-F927 HydrophobicContact CB-CE2 4.46Å; P924-F927 HydrophobicContact CG-CB 4.39Å; P924-F927 HydrophobicContact CG-CD2 3.65Å; P924-F927 HydrophobicContact CG-CE2 4.23Å; P924-F927 HydrophobicContact CG-CG 4.19Å; P924-F927 PolarHBondContact O-N 2.83Å; S925-F927 PolarHBondContact O-N 3Å; S925-F927 VanDerWaalsContact O-N 3.13Å
928L88.9Confident69.5Low16 Ų1674.7 Ų74.78%0.08446%0.459CS..EExtended strand (participates in β ladder)trans-107.6125.6-179.5-53.6-172.7000111.5M871 V872 F894 I900 V902 Y912 V923 S925M871-L928 HydrophobicContact CB-CB 4.19Å; M871-L928 HydrophobicContact CB-CD1 4.03Å; M871-L928 HydrophobicContact CE-CB 3.8Å; M871-L928 HydrophobicContact CE-CD1 4.32Å; M871-L928 HydrophobicContact SD-CD1 4.02Å; V872-L928 CarbonylContact O-C 3.56Å; V872-L928 WeakPolarHBondContact O-CA 3.49Å; F894-L928 HydrophobicContact CE2-CD2 4.43Å; F894-L928 HydrophobicContact CZ-CD2 4.38Å; I900-L928 HydrophobicContact CD1-CD2 3.67Å; V902-L928 HydrophobicContact CG2-CD1 3.99Å; Y912-L928 HydrophobicContact CD2-CD1 3.7Å; Y912-L928 HydrophobicContact CE2-CD1 4.25Å; V923-L928 HydrophobicContact CG1-CD1 3.75Å; V923-L928 HydrophobicContact CG1-CD2 3.77Å; V923-L928 HydrophobicContact CG1-CG 4.01Å; S925-L928 PolarHBondContact O-N 3.37Å
929E87.6Confident67.2Low142 Ų14278.4 Ų78.466%0.66447%0.466SS*.EExtended strand (participates in β ladder)trans-88.7126.2162.3-167.5158.5-153.300108.8V872 A874V872-E929 PolarHBondContact N-O 3.39Å; V872-E929 PolarHBondContact O-N 3.48Å; A874-E929 HydrophobicContact CB-CB 4.23Å
930G70.4Confident64.7Low39 Ų3983.7 Ų83.740%0.40248%0.481SS..PPolyproline II helixtrans-63.3146.4175.500000110.9G932G930-G932 PolarHBondContact O-N 3.32Å; G930-G932 VanDerWaalsContact O-N 3.11Å
931P58.4Low61.9Low81 Ų8184.3 Ų84.353%0.52649%0.49SS..PPolyproline II helixtrans-61.2120-177.928.3-36.1000109.7S870S870-P931 VanDerWaalsContact O-CD 3.27Å; S870-P931 WeakPolarHBondContact O-CD 3.49Å; S870-P931 VanDerWaalsContact O-CG 3.23Å; S870-P931 WeakPolarHBondContact O-CG 3.42Å
932G42.8Very low59.7Low57 Ų5788.9 Ų88.959%0.58852%0.519SS*.PPolyproline II helixtrans-55.2132.8174.700000110.2G930 E934G930-G932 PolarHBondContact O-N 3.32Å; G930-G932 VanDerWaalsContact O-N 3.11Å; G932-E934 VanDerWaalsContact C-N 3.3Å; G932-E934 PolarHBondContact O-N 2.96Å
933P45.1Very low56.6Low132 Ų13296.7 Ų96.786%0.85754%0.544SS*.  trans-75.775.9-166.330.1-36.9000113.2
934E40.5Very low53.9Low176 Ų176102.8 Ų102.882%0.82258%0.581SS**  trans-121125.9177.1-72.2-73.4141.400110.4G932G932-E934 VanDerWaalsContact C-N 3.3Å; G932-E934 PolarHBondContact O-N 2.96Å
935A37.5Very low51.2Low65 Ų65108.2 Ų108.254%0.53762%0.617SS.*  cis-163.4144.8-5.700000112.5
936G29.8Very low48.1Very low66 Ų66115.7 Ų115.768%0.6865%0.649SS**SBendtrans154.788.9158.800000115.6
937G33.7Very low45.5Very low55 Ų55113.6 Ų113.657%0.56765%0.65SS**  cis156.8152.4-7.600000112.3
938L36.7Very low42.5Very low127 Ų127120 Ų12067%0.66568%0.681SS**  trans8195.3177.5-59.4174.6000119.2
939D33.8Very low40.1Very low135 Ų135124.2 Ų124.272%0.72271%0.712SS**  77.590.5119.4-164.628.2000121.1
940R32.4Very low37.5Very low233 Ų233127 Ų12788%0.87973%0.725SS**  -174.7155.4103.7-100.7-172.4170.9-156.1-7.4117.4
941E31.7Very low35.7Very low153 Ų153136.6 Ų136.672%0.71575%0.749SS**  trans-56.4168169.8-65.3-167.576.400114.7
942P43.1Very low34.4Very low101 Ų101139.6 Ų139.666%0.65677%0.766SS**  cis-149.3178.922.145.5-25.8000120.7
943R26.8Very low33.8Very low224 Ų224148 Ų14885%0.84578%0.78SS**  trans79.897.8148.2-80.9165.5-175.51770.2122.6
944T34.4Very low33.4Very low127 Ų127153.4 Ų153.478%0.77978%0.783SS**  6.9146.5123.358.60000120.1
945P34.2Very low33Very low122 Ų122156.4 Ų156.479%0.79279%0.787SS**  -126.2172100.138.6-35.1000116
946Q23.6Very low32.8Very low184 Ų184163.4 Ų163.486%0.8680%0.8SS**  trans-16143.2177.1-73155.9-106.900121.1
947A35Very low32.9Very low93 Ų93166.8 Ų166.877%0.76981%0.807SS**  trans-86160.3155.900000111
948E26.6Very low32.8Very low193 Ų193171.3 Ų171.390%0.90281%0.813SS**  trans-141.5164.2146.6-143.9159.8-125.400110.8
949S38.4Very low32.7Very low104 Ų104174.5 Ų174.573%0.72784%0.844SS**  trans-99.3153.7-160.1-63.10000114
950Q31.5Very low32.7Very low199 Ų199176.5 Ų176.593%0.9385%0.85SS**  trans-153.8153.5130.7-115.6156.991.500115
951R33.6Very low32.7Very low241 Ų241173.5 Ų173.591%0.90985%0.848SS**  trans-78.8130.4-173.4-71.4163155.7160.4-10.6111.6R953R951-R953 PolarHBondContact O-N 2.93Å; R951-R953 VanDerWaalsContact O-N 3.13Å
952T30.7Very low32.7Very low144 Ų144174.6 Ų174.688%0.88386%0.856SS**  trans-70.9103.7158.739.50000110R954T952-R954 PolarHBondContact O-N 2.96Å
953R31.5Very low32.1Very low234 Ų234178.9 Ų178.988%0.88387%0.867SS**  trans-83.593.5-179.5-163.8178.8-168.7179.53109.3R951 R955R951-R953 PolarHBondContact O-N 2.93Å; R951-R953 VanDerWaalsContact O-N 3.13Å; R953-R955 PolarHBondContact O-N 3.41Å
954R35.8Very low32.5Very low245 Ų245176.1 Ų176.193%0.92587%0.869SS**  trans-49.7115.4173.5-77.2-174.3168.2-150.8-6.7110.2T952T952-R954 PolarHBondContact O-N 2.96Å
955R32.1Very low32.3Very low239 Ų239179.4 Ų179.490%0.90288%0.875SS**PPolyproline II helixtrans-93.8125.9162-94-173.6163.4176.3-5.1108.8R953R953-R955 PolarHBondContact O-N 3.41Å
956R33.4Very low32.2Very low213 Ų213183.5 Ų183.580%0.80488%0.881SS**PPolyproline II helixtrans-76.8121.7168.6174.8-173-68179.7-4106.6
957V31.8Very low32.8Very low137 Ų137183.5 Ų183.583%0.8388%0.882SS**PPolyproline II helixtrans-71.3138161.4-178.10000107
958Q31.5Very low32.7Very low150 Ų150191 Ų19170%0.70189%0.892SS**  trans-151.5129-177-176.9170-0.800108.1
959C35.2Very low33.2Very low193 Ų193190.8 Ų190.8100%1.30489%0.891SS**  trans67.60-157.6-54.60000111.4

Retrieved 959 of 959 residues in 436.2 ms (Link to these results)