A0A087XB30_POEFO Loading...

GATA zinc finger domain containing 2Ab

AlphaFold DB , UniProt , Accession A0A087XB30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 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
1M44.5Very low56.2Low240 Ų240131.3 Ų131.3100%1.18267%0.668SS**  0136.50-57.8-165.4-62.100108
2S54.3Low56.5Low94 Ų94131.5 Ų131.566%0.65766%0.664SS**  trans-85.2151.2-169.6-49.80000113.2E4 A5S2-E4 PolarHBondContact O-N 3.35Å; S2-E4 VanDerWaalsContact O-N 3.1Å; S2-A5 PolarHBondContact O-N 3.49Å
3E51.8Low56.8Low157 Ų157133.4 Ų133.473%0.73467%0.665SS**Hα-helixtrans-60.1-23.5-175.8-59.4-178.296.500113.9A5 V6 R7E3-A5 VanDerWaalsContact C-N 3.29Å; E3-A5 PolarHBondContact O-N 3.32Å; E3-V6 PolarHBondContact O-N 2.85Å; E3-V6 VanDerWaalsContact O-N 3.14Å; E3-R7 PolarHBondContact O-N 3.29Å; E3-R7 VanDerWaalsContact O-N 3.15Å
4E47Very low57Low135 Ų135134.3 Ų134.363%0.63166%0.657SS**Hα-helixtrans-48.1-46.5172.7-14570.6-106.800112.7S2 V6 R7 Q8S2-E4 PolarHBondContact O-N 3.35Å; S2-E4 VanDerWaalsContact O-N 3.1Å; E4-V6 VanDerWaalsContact C-N 3.31Å; E4-V6 PolarHBondContact O-N 3.01Å; E4-R7 WeakPolarHBondContact O-CB 3.48Å; E4-R7 PolarHBondContact O-N 3.35Å; E4-R7 VanDerWaalsContact O-N 3.12Å; E4-Q8 PolarHBondContact O-N 3.23Å
5A52.1Low57.1Low53 Ų53128.7 Ų128.744%0.43864%0.641SS.*Hα-helixtrans-67.7-31.7-176.900000112.6S2 E3 R7 T9S2-A5 PolarHBondContact O-N 3.49Å; E3-A5 VanDerWaalsContact C-N 3.29Å; E3-A5 PolarHBondContact O-N 3.32Å; A5-R7 VanDerWaalsContact C-N 3.35Å; A5-T9 PolarHBondContact O-N 2.98Å; A5-T9 PolarHBondContact O-OG1 3.45Å
6V64.3Low56.7Low100 Ų100127.4 Ų127.461%0.60664%0.637SS**Hα-helixtrans-73.4-30.8175.6-1740000110.7E3 E4 T9 R10E3-V6 PolarHBondContact O-N 2.85Å; E3-V6 VanDerWaalsContact O-N 3.14Å; E4-V6 VanDerWaalsContact C-N 3.31Å; E4-V6 PolarHBondContact O-N 3.01Å; V6-T9 PolarHBondContact O-OG1 3.02Å; V6-R10 WeakPolarHBondContact O-CB 3.46Å; V6-R10 PolarHBondContact O-N 3.2Å
7R61.5Low56.3Low179 Ų179128.2 Ų128.268%0.67564%0.638SS**Hα-helixtrans-72.9-42173.8-67.3-177.2178-144.21.1112E3 E4 A5 R10 S11E3-R7 PolarHBondContact O-N 3.29Å; E3-R7 VanDerWaalsContact O-N 3.15Å; E4-R7 WeakPolarHBondContact O-CB 3.48Å; E4-R7 PolarHBondContact O-N 3.35Å; E4-R7 VanDerWaalsContact O-N 3.12Å; A5-R7 VanDerWaalsContact C-N 3.35Å; R7-R10 PolarHBondContact O-N 2.95Å; R7-S11 PolarHBondContact O-N 3.41Å
8Q54.8Low55.9Low137 Ų137131.7 Ų131.764%0.6464%0.642SS**Hα-helixtrans-60.2-52.4176.1-75.7-176.4-20.700112.1E4 R10 S11 Q12E4-Q8 PolarHBondContact O-N 3.23Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 3.39Å; Q8-S11 WeakPolarHBondContact O-CA 3.45Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3Å; Q8-Q12 PolarHBondContact O-N 2.79Å
9T65.3Low55.3Low85 Ų85130.3 Ų130.352%0.52164%0.638SS.*Hα-helixtrans-59.4-38178.142.10000113A5 V6 S11 K13A5-T9 PolarHBondContact O-N 2.98Å; A5-T9 PolarHBondContact O-OG1 3.45Å; V6-T9 PolarHBondContact O-OG1 3.02Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.28Å; T9-K13 PolarHBondContact O-N 2.94Å; T9-K13 VanDerWaalsContact O-N 3.12Å
10R61Low54.8Low182 Ų182132.2 Ų132.269%0.68765%0.645SS**Hα-helixtrans-72.7-17.7175.3-163.9175.8-172.8-129.91114.2V6 R7 Q8V6-R10 WeakPolarHBondContact O-CB 3.46Å; V6-R10 PolarHBondContact O-N 3.2Å; R7-R10 PolarHBondContact O-N 2.95Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 3.39Å
11S61.9Low54.3Low82 Ų82130.1 Ų130.157%0.57365%0.65SS**Hα-helixtrans-82-51.7170.5-160.90000110.4R7 Q8 T9 K13 R14 A15R7-S11 PolarHBondContact O-N 3.41Å; Q8-S11 WeakPolarHBondContact O-CA 3.45Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.28Å; S11-K13 PolarHBondContact O-N 2.99Å; S11-R14 WeakPolarHBondContact O-CA 3.49Å; S11-R14 WeakPolarHBondContact O-CB 3.49Å; S11-R14 PolarHBondContact O-N 2.63Å; S11-A15 PolarHBondContact O-N 2.8Å
12Q59.2Low54.1Low134 Ų134122.4 Ų122.463%0.62662%0.624SS**Hα-helixtrans-58.9-41.2-176.6-161.4174.634.200112.7Q8 R14 A15 L16Q8-Q12 PolarHBondContact O-N 2.79Å; Q12-R14 PolarHBondContact O-N 3.34Å; Q12-R14 VanDerWaalsContact O-N 3.13Å; Q12-A15 PolarHBondContact O-N 2.89Å; Q12-A15 VanDerWaalsContact O-N 3.1Å; Q12-L16 PolarHBondContact O-N 3.31Å
13K61.2Low53.5Low156 Ų156125.7 Ų125.768%0.67863%0.633SS**Hα-helixtrans-57.7-27.3174-176.2165.1-178.1167.90113.5T9 S11 E17T9-K13 PolarHBondContact O-N 2.94Å; T9-K13 VanDerWaalsContact O-N 3.12Å; S11-K13 PolarHBondContact O-N 2.99Å; K13-E17 PolarHBondContact O-N 3.38Å
14R59.8Low52.5Low146 Ų146122 Ų12255%0.55164%0.638SS**Hα-helixtrans-90.8-7.2-178.6-131.8-175.6-50.9-172.49.4114.2S11 Q12S11-R14 WeakPolarHBondContact O-CA 3.49Å; S11-R14 WeakPolarHBondContact O-CB 3.49Å; S11-R14 PolarHBondContact O-N 2.63Å; Q12-R14 PolarHBondContact O-N 3.34Å; Q12-R14 VanDerWaalsContact O-N 3.13Å
15A57.3Low51.7Low50 Ų50119.3 Ų119.341%0.41365%0.646SS.*Hα-helixtrans-79.8-53.4166.400000109.7S11 Q12 E17 R18 D19S11-A15 PolarHBondContact O-N 2.8Å; Q12-A15 PolarHBondContact O-N 2.89Å; Q12-A15 VanDerWaalsContact O-N 3.1Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3.46Å; A15-R18 WeakPolarHBondContact O-CA 3.3Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 3.49Å; A15-D19 PolarHBondContact O-N 3.01Å
16L51.8Low50.9Low109 Ų109122.5 Ų122.557%0.57167%0.665SS**Hα-helixtrans-58.7-36.5-178.7-61.7173.5000113.6Q12 R18 D19 H20Q12-L16 PolarHBondContact O-N 3.31Å; L16-R18 PolarHBondContact O-N 2.95Å; L16-D19 PolarHBondContact O-N 2.99Å; L16-H20 PolarHBondContact O-CD2 3.4Å; L16-H20 PolarHBondContact O-N 3.28Å
17E49.6Very low49.5Very low141 Ų141123.5 Ų123.566%0.65967%0.673SS**Hα-helixtrans-63.9-18.8174.1-161.1-176.9148.700112.9K13 A15K13-E17 PolarHBondContact O-N 3.38Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3.46Å
18R49.2Very low48Very low190 Ų190118.4 Ų118.472%0.71768%0.676SS**Hα-helixtrans-87.6-40.1179.2-151-179.2-148.6801.1112.2A15 L16 A21A15-R18 WeakPolarHBondContact O-CA 3.3Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 3.49Å; L16-R18 PolarHBondContact O-N 2.95Å; R18-A21 WeakPolarHBondContact O-CB 3.45Å; R18-A21 PolarHBondContact O-N 2.93Å
19D45.1Very low46.9Very low105 Ų105119 Ų11956%0.56168%0.684SS**Hα-helixtrans-67.5-39.1177.4-64.6-60.9000111.7A15 L16 A21 A22A15-D19 PolarHBondContact O-N 3.01Å; L16-D19 PolarHBondContact O-N 2.99Å; D19-A21 PolarHBondContact O-N 3.4Å; D19-A21 VanDerWaalsContact O-N 3.09Å; D19-A22 PolarHBondContact O-N 3Å
20H45.1Very low45.6Very low169 Ų169123.3 Ų123.378%0.78270%0.7SS**THydrogen-bonded Turntrans-61.9-15.7173.5-88.1-74.5000114.4L16L16-H20 PolarHBondContact O-CD2 3.4Å; L16-H20 PolarHBondContact O-N 3.28Å
21A44Very low44.2Very low89 Ų89122 Ų12274%0.73671%0.707SS**THydrogen-bonded Turntrans-89.6-6.2175.600000113.8R18 D19R18-A21 WeakPolarHBondContact O-CB 3.45Å; R18-A21 PolarHBondContact O-N 2.93Å; D19-A21 PolarHBondContact O-N 3.4Å; D19-A21 VanDerWaalsContact O-N 3.09Å
22A40.5Very low42.9Very low78 Ų78120.8 Ų120.865%0.64571%0.707SS**THydrogen-bonded Turntrans-97.7-15.5-174.100000114.6D19D19-A22 PolarHBondContact O-N 3Å
23L40.4Very low41.7Very low163 Ų163125 Ų12585%0.85372%0.723SS**  trans-118.883.3-174.5-66.9175.1000111.3
24G32.4Very low40.3Very low80 Ų80128 Ų12883%0.82573%0.73SS**  trans-151.334.6-17800000113.9
25G28.2Very low38.9Very low78 Ų78127.7 Ų127.780%0.80474%0.744SS**PPolyproline II helixtrans-82.2142.4177.600000112.9
26S35.6Very low37.6Very low119 Ų119133.1 Ų133.183%0.83276%0.759SS**PPolyproline II helixtrans-88.9133.1180-172.10000112.4
27P35.6Very low36.5Very low122 Ų122135.8 Ų135.879%0.79277%0.773SS**PPolyproline II helixtrans-91.7141.7155.234.7-28.2000110.4
28G30Very low35.3Very low71 Ų71134.8 Ų134.873%0.73277%0.768SS**  trans-108.9171.4-175.500000115.1
29D32.7Very low34.4Very low149 Ų149136 Ų13680%0.79777%0.772SS**  trans32119.3146.9-146.1-97.8000119.8
30M37.7Very low33.6Very low177 Ų177134.3 Ų134.387%0.87278%0.78SS**  trans-142.3145.9156.7-91.5-65102.400111.4
31D30.4Very low32.7Very low155 Ų155133.9 Ų133.983%0.82978%0.784SS**  trans-61.1158-164.9-172.8-140.7000116.1
32G36.2Very low31.9Very low56 Ų56133.5 Ų133.558%0.57778%0.781SS**  trans-101.7170.4-174.900000115.1
33K32.3Very low31.3Very low222 Ų222135.1 Ų135.197%0.96579%0.794SS**  trans-143.9150169.2-138.6164.4-171.9170.30114
34R33.2Very low30.6Very low219 Ų219131.2 Ų131.283%0.82679%0.793SS**  trans-113.8138-165.1174.4-151.3-58.8-99.12.4111.5
35V30.7Very low30.4Very low139 Ų139132 Ų13284%0.84279%0.791SS**  trans-174.9130.5149.1139.20000105.5
36K29.2Very low31.1Very low165 Ų165133.3 Ų133.372%0.71779%0.786SS**  cis87.984.815-157.7-163.8172.6-175.10117.9
37L29.4Very low30.7Very low165 Ų165135.7 Ų135.786%0.86479%0.788SS**  trans-159127.6141.2-140.366.3000105.9
38E24.5Very low30.3Very low119 Ų119133.8 Ų133.856%0.55678%0.783SS**  cis87.3126.823.9-128.2-59.677.500114.8
39R28.9Very low30.2Very low215 Ų215137.7 Ų137.781%0.81179%0.786SS**  trans60.7148-177.1-79.1148.2-165.3-79.3-14.8118
40G27.8Very low30.1Very low70 Ų70137 Ų13772%0.72279%0.787SS**  cis133.1158.35.400000109.5
41D26.6Very low29.5Very low161 Ų161131.5 Ų131.586%0.86178%0.776SS**  cis-169.2-163.7-5.6-159.2-67.3000105.7
42A28.4Very low30.2Very low81 Ų81130.1 Ų130.167%0.66978%0.776SS**  trans75.198.6153.600000121.6
43A26.6Very low29.9Very low111 Ų111132.2 Ų132.292%0.91779%0.788SS**  75.4144.8124.300000122
44G26.2Very low29.8Very low82 Ų82126.7 Ų126.785%0.84578%0.783SS**  trans158.944174.800000117.8
45A29.4Very low29.7Very low95 Ų95125.9 Ų125.979%0.78579%0.789SS**  trans-85.5168.6163.700000109.2
46P41.1Very low29.6Very low107 Ų107122.6 Ų122.670%0.69578%0.783SS**  cis-156-174.641.746.8-25.7000118.6
47L27.8Very low29.8Very low168 Ų168123.8 Ų123.888%0.8879%0.793SS**  trans63.5149.6162.2-57.2177.1000117.6
48A27.5Very low29.7Very low82 Ų82124.5 Ų124.568%0.67879%0.789SS**  cis-167.3-166.8-21.600000106.9
49L27.1Very low30.1Very low153 Ų153126 Ų12680%0.80180%0.801SS**  cis-160.9162.41.4-162.870.2000109.1
50V30.5Very low30.1Very low134 Ų134125.1 Ų125.181%0.81280%0.803SS**  trans64147.9167.8-1350000119.2
51G25.6Very low30.1Very low62 Ų62127.4 Ų127.464%0.63981%0.808SS**  trans-109-150159.400000111
52P45.8Very low30.5Very low127 Ų127127 Ų12783%0.82580%0.8SS**  cis-132.4177.64.842.9-26.8000115.8
53A29.1Very low30.8Very low100 Ų100130.9 Ų130.983%0.82681%0.805SS**  trans29119.7148.900000122.7
54A31.2Very low31.1Very low106 Ų106130 Ų13088%0.87680%0.797SS**  trans-163156.4131.600000110.8
55E30.3Very low31.6Very low201 Ų201130.2 Ų130.294%0.93979%0.791SS**  trans-88.8160.8171.8-63.1-167122.700112.3
56G27.8Very low31.8Very low70 Ų70134.8 Ų134.872%0.72279%0.793SS**  trans139.988.1149.500000119.5
57M35Very low31.4Very low190 Ų190136.2 Ų136.294%0.93680%0.8SS**  trans62.5147148-58.4-167.8169.500122.8
58K27.1Very low31.6Very low180 Ų180132.2 Ų132.278%0.78379%0.791SS**  trans95.891.3136.5-152.9163.9178-75.10121.7
59L32.6Very low31.9Very low152 Ų152133.1 Ų133.180%0.79680%0.798SS**  trans63.5123.4134.1-60.5173.9000122.5
60K28.1Very low32.1Very low196 Ų196130.8 Ų130.885%0.85280%0.795SS**  trans66.8114.7134.5-174.5-175.8178.8-176.80119.6
61S28.8Very low32.3Very low118 Ų118131.3 Ų131.383%0.82579%0.792SS**  -167.1-177.3108.4-147.20000114.1
62E33.5Very low32.6Very low151 Ų151135.2 Ų135.271%0.70680%0.797SS**  trans-116.9168.8-160.2-170.6-166.6112.500112.7
63Q35.1Very low31.9Very low163 Ų163138.1 Ų138.176%0.76280%0.797SS**  trans109.6153.4130.1-141.1-178.578.600122.2
64A33.4Very low32.1Very low92 Ų92140 Ų14076%0.7680%0.799SS**  trans89.7148.1148.400000118.5
65A35.8Very low31.9Very low87 Ų87138.8 Ų138.872%0.71980%0.796SS**  cis-142.5-152.22.500000110.6
66K35.4Very low31.9Very low191 Ų191137.9 Ų137.983%0.8379%0.792SS**  cis-161.6132.74.9-127.4155.5-174.9179.60106.8
67V32.7Very low32.1Very low137 Ų137141.6 Ų141.683%0.8380%0.8SS**  79.4136.995164.20000116.4
68A31.7Very low32Very low84 Ų84140.7 Ų140.769%0.69479%0.791SS**  cis-173.5-178.6-16.400000112.7
69A32.4Very low32.3Very low101 Ų101136.8 Ų136.884%0.83579%0.792SS**  trans74.3154.2158.600000120
70S32.2Very low32.2Very low105 Ų105134.4 Ų134.473%0.73478%0.784SS**  cis-171.6169.1-25.9-1650000112.2
71I33.8Very low32.5Very low145 Ų145133.6 Ų133.674%0.74479%0.787SS**  trans79.5116.6149.9-83158.2000123.3
72L33.7Very low32.6Very low143 Ų143136.3 Ų136.375%0.74978%0.784SS**  trans62.6139.1140.5-66.4179.8000127
73K30.8Very low32.6Very low189 Ų189134.4 Ų134.482%0.82278%0.778SS**  trans102.1152.3130.3-93.6171.5-178.7178.50122.5
74T33.3Very low32.4Very low140 Ų140134.1 Ų134.186%0.85978%0.777SS**  trans-87.1153.8-176.347.60000113.5
75G26.5Very low32.3Very low79 Ų79134.9 Ų134.981%0.81477%0.772SS**  trans-174123.6164.800000114.3
76E31.1Very low32Very low182 Ų182138.9 Ų138.985%0.8578%0.776SS**  trans-93.8133.2169177.2-162.2139.400109.6
77V30.2Very low31.9Very low148 Ų148136.1 Ų136.190%0.89778%0.775SS**  trans-149.1164.8157.8-130.30000112.3
78K33.2Very low31.8Very low171 Ų171133.3 Ų133.374%0.74377%0.773SS**  trans-136.1135.7-156.5159.9-167.4171.4-172.40111.7
79A33.4Very low31.6Very low98 Ų98137.6 Ų137.681%0.8179%0.785SS**  trans-145.8128.216100000107.5
80T31.3Very low31.9Very low103 Ų103140.6 Ų140.663%0.63278%0.782SS**  cis75.389.721.1-410000115.2
81I33.7Very low33.1Very low179 Ų179140.2 Ų140.292%0.91878%0.777SS**  trans-149154.6148.8-98.1157.7000106.5
82K31.4Very low33.3Very low175 Ų175139.4 Ų139.476%0.76178%0.778SS**  trans-156.5146-156.4170.1-172.3177.2-1520112.3
83L34.6Very low33.9Very low110 Ų110138.3 Ų138.358%0.57677%0.773SS**  trans63.1165.7172.6-71.3161.4000115.7V85L83-V85 HydrophobicContact CD2-CG2 4.15Å
84E30.6Very low33.8Very low158 Ų158137.6 Ų137.674%0.73878%0.775SS**  cis-115161.7-12.9-94.691.7-152.500108.6
85V30.9Very low34.3Very low108 Ų108134.6 Ų134.666%0.65576%0.759SS**  cis82.7102.929.8-177.90000116.3L83L83-V85 HydrophobicContact CD2-CG2 4.15Å
86Q29.6Very low34.6Very low170 Ų170137.8 Ų137.879%0.79476%0.763SS**  trans-162.3139.8141.3-137.587.1103.500113.2
87T32Very low34.6Very low134 Ų134134 Ų13482%0.82276%0.757SS**  trans4.6145.2159.849.60000122.3
88G32.3Very low34.8Very low77 Ų77137 Ų13779%0.79476%0.758SS**  cis127.1139.7-5.800000115.3
89D27.5Very low34.8Very low174 Ų174133.9 Ų133.993%0.9376%0.758SS**  trans-164.5167.6153.6-150.2-150.4000110.8
90E38.8Very low34.7Very low165 Ų165136.1 Ų136.177%0.77176%0.756SS**  trans-131.4-165.1-173-123.6-133.5120.800111.1
91P56.9Low34.8Very low97 Ų97138.6 Ų138.663%0.6376%0.764SS**  cis-127.5-174.8-14.724.9-1.3000114.7
92V38.3Very low35Very low127 Ų127138.9 Ų138.977%0.7776%0.758SS**  trans144.1122.8131.9169.90000113.7
93D45.3Very low35.1Very low120 Ų120139 Ų13964%0.64276%0.759SS**  trans-95.2156.4173.4175.144000112.8S95D93-S95 PolarHBondContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; D93-S95 PolarHBondContact OD2-N 2.81Å; D93-S95 PolarHBondContact OD2-OG 2.96Å
94M29.2Very low34.8Very low175 Ų175139.6 Ų139.686%0.86276%0.759SS**  trans-150.583.6156.6-87.2-13072.300111.6
95S43.6Very low34.7Very low76 Ų76140.5 Ų140.553%0.53176%0.763SS.*  trans-66.8150169.8-66.90000114.1D93D93-S95 PolarHBondContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; D93-S95 PolarHBondContact OD2-N 2.81Å; D93-S95 PolarHBondContact OD2-OG 2.96Å
96T32.4Very low34.6Very low146 Ų146144.2 Ų144.290%0.89677%0.773SS**  trans-141.3147146.748.10000110.2
97S31.3Very low35.8Very low104 Ų104141 Ų14173%0.72777%0.767SS**  trans-150.5170.7-163.5-53.20000112.9
98K35.3Very low36.4Very low210 Ų210140.8 Ų140.891%0.91377%0.768SS**  trans79.7154172.7-63.2179.8175.3177.40115.1
99S31.9Very low36.4Very low106 Ų106142.5 Ų142.574%0.74177%0.768SS**  cis-132.3162.31651.70000115.8
100D31.7Very low37.4Very low144 Ų144138.8 Ų138.877%0.7775%0.753SS**  trans-138.9136171.1-174.8-59.2000107.4
101I34.2Very low37.2Very low155 Ų155137.9 Ų137.980%0.79575%0.753SS**  trans-144.6146.4175.8-76.8102000108.8
102K36.8Very low36.5Very low186 Ų186140.1 Ų140.181%0.80976%0.76SS**  trans-142.1154.1-166.2176177177.8176.10111.8
103K33.3Very low36.7Very low177 Ų177139.9 Ų139.977%0.7776%0.759SS**  trans96.4150.4-175-67.5-176.9138.7-145.50113.8
104E29.7Very low36.6Very low122 Ų122140.8 Ų140.857%0.5776%0.762SS**  cis-157.91613.8-129.7179.690.400115.9
105Q28.8Very low37.3Very low177 Ų177137.6 Ų137.683%0.82775%0.752SS**  trans59.2-178.7154.1-76-169.256.500122
106Q27.8Very low37Very low186 Ų186141.1 Ų141.187%0.86976%0.764SS**  trans-134-158-143.5-141.9176.9-75.700114.6
107P54.8Low37.6Very low104 Ų104139.2 Ų139.268%0.67576%0.757SS**  -111.6-176.2-126.147.6-32.3000114.9
108P44.9Very low38Very low128 Ų128141.7 Ų141.783%0.83176%0.762SS**  -147.6-173.478.838-16.4000117.1
109S32.7Very low38.8Very low114 Ų114138.4 Ų138.480%0.79776%0.755SS**  trans-68.6-178.5-177.1-1140000116.5
110P48.5Very low39.2Very low95 Ų95140.8 Ų140.862%0.61775%0.754SS**  cis-136.1-170.811.943.2-24.4000117.3
111D34.9Very low39.7Very low146 Ų146138.4 Ų138.478%0.78175%0.746SS**  trans67.7135.8164.7-48.8-29.9000118.3
112D41.7Very low40.4Very low145 Ų145137 Ų13778%0.77575%0.75SS**  cis-134.6140.16.9-148-18.9000110.6
113V42Very low40.5Very low121 Ų121132.8 Ų132.873%0.73374%0.744SS**  trans-112.685.6-169.8-177.70000111.8V115V113-V115 HydrophobicContact CG1-CG2 3.76Å; V113-V115 PolarHBondContact O-N 3.47Å
114I43.2Very low40.8Very low140 Ų140130.4 Ų130.472%0.71875%0.747SS**  trans-87.977.2168.2-48.8-176.7000109.8L116I114-L116 HydrophobicContact CG2-CD2 3.76Å; I114-L116 HydrophobicContact CG2-CG 3.95Å; I114-L116 PolarHBondContact O-N 3.06Å; I114-L116 VanDerWaalsContact O-N 3.12Å
115V43Very low41.5Very low107 Ų107130.1 Ų130.165%0.64875%0.753SS**  trans-72.597.5160.8170.70000107.8V113 S117V113-V115 HydrophobicContact CG1-CG2 3.76Å; V113-V115 PolarHBondContact O-N 3.47Å; V115-S117 PolarHBondContact O-N 3.36Å; V115-S117 VanDerWaalsContact O-N 3.08Å
116L37.6Very low42.4Very low150 Ų150129.4 Ų129.479%0.78575%0.752SS**  trans-7394.8163-65.8-174.2000108.7I114 D118I114-L116 HydrophobicContact CG2-CD2 3.76Å; I114-L116 HydrophobicContact CG2-CG 3.95Å; I114-L116 PolarHBondContact O-N 3.06Å; I114-L116 VanDerWaalsContact O-N 3.12Å; L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 3.38Å
117S46Very low43.6Very low106 Ų106126 Ų12674%0.74174%0.74SS**  trans-66.490168.5-66.40000110.4V115 N119V115-S117 PolarHBondContact O-N 3.36Å; V115-S117 VanDerWaalsContact O-N 3.08Å; S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 VanDerWaalsContact O-N 3.14Å
118D39.9Very low43.2Very low157 Ų157124 Ų12484%0.8474%0.738SS**  trans-82.583.2170.6-157.5-28000109.7L116L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 3.38Å
119N51.4Low43.4Very low141 Ų141126.2 Ų126.275%0.75474%0.737SS**  trans-143.275.9179.7-179.198000110.1S117S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 VanDerWaalsContact O-N 3.14Å
120E40.6Very low43.9Very low156 Ų156126 Ų12673%0.72973%0.734SS**  trans159.7151.5153.5-99-78.784.700110.4
121P41.8Very low44Very low93 Ų93127.2 Ų127.260%0.60473%0.73SS**  cis-108.4175.4-32.61.621.2000111.6S123P121-S123 PolarHBondContact O-N 3.49Å
122S48.3Very low45.3Very low125 Ų125122.9 Ų122.987%0.87471%0.709SS**  trans-65.3100.7168.7-73.50000112.2
123S39.3Very low45.9Very low99 Ų99124.8 Ų124.869%0.69271%0.71SS**  trans-65.3140.2162.9-73.60000110.4P121 V125P121-S123 PolarHBondContact O-N 3.49Å; S123-V125 PolarHBondContact O-N 2.97Å
124P39.9Very low46.5Very low127 Ų127123 Ų12383%0.82570%0.7SS**  trans-69.8115.9-166.226.2-34.8000112.6M126P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.36Å
125V44.7Very low47.5Very low116 Ų116118.6 Ų118.670%0.70368%0.677SS**  trans-73.881.5176.9-172.30000110.5S123 N127S123-V125 PolarHBondContact O-N 2.97Å; V125-N127 PolarHBondContact O-N 2.96Å
126M47.6Very low48.8Very low162 Ų162117.1 Ų117.180%0.79867%0.669SS**SBendtrans-57.1101.1167.6166.759.381.200109.8P124P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.36Å
127N52.2Low50.2Low115 Ų115113.6 Ų113.662%0.61565%0.651SS**SBendtrans75.992-169.5-45.3-78.9000113.6V125 H129V125-N127 PolarHBondContact O-N 2.96Å; N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 VanDerWaalsContact O-N 3.12Å
128G46.3Very low51.3Low62 Ų62114.5 Ų114.564%0.63964%0.641SS**  trans-76.492.4-17800000114.6
129H50.4Low52.5Low174 Ų174108.8 Ų108.881%0.80661%0.611SS**  trans-123.877.7157.2-84.2-64.2000110.5N127 F131N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 VanDerWaalsContact O-N 3.12Å; H129-F131 PolarHBondContact O-N 3.44Å
130C42Very low53.4Low109 Ų109108.5 Ų108.574%0.73661%0.606SS**  trans-77.9107.6163.1-174.50000108.4T132C130-T132 PolarHBondContact O-N 3.12Å; C130-T132 VanDerWaalsContact O-N 3.15Å
131F51.5Low54.9Low121 Ų121108.6 Ų108.653%0.53160%0.604SS.*  trans-70.6104.5166.7-110.7-87.8000108.1H129 D135 L154H129-F131 PolarHBondContact O-N 3.44Å; F131-D135 HydrophobicContact CD1-CB 4.05Å; F131-D135 HydrophobicContact CE1-CB 4.25Å; F131-L154 HydrophobicContact CE2-CD2 3.85Å; F131-L154 HydrophobicContact CZ-CD1 4.07Å; F131-L154 HydrophobicContact CZ-CD2 3.92Å
132T61.2Low56.5Low55 Ų55105.2 Ų105.234%0.33758%0.583SS.*  trans-75.1155-179.2750000110.2C130 T134 D135 T136C130-T132 PolarHBondContact O-N 3.12Å; C130-T132 VanDerWaalsContact O-N 3.15Å; T132-T134 PolarHBondContact O-N 3.08Å; T132-T134 VanDerWaalsContact O-N 3.15Å; T132-T134 WeakPolarHBondContact OG1-CB 3.36Å; T132-T134 PolarHBondContact OG1-N 2.58Å; T132-D135 WeakPolarHBondContact CB-OD2 3.3Å; T132-D135 PolarHBondContact N-OD2 3.42Å; T132-D135 PolarHBondContact O-N 2.65Å; T132-D135 PolarHBondContact OG1-N 2.98Å; T132-D135 PolarHBondContact OG1-OD2 3.36Å; T132-T136 PolarHBondContact O-N 2.83Å
133K55.1Low58.2Low184 Ų184101.6 Ų101.680%0.856%0.558SS**Hα-helixtrans-53.3-36.4173.1-67.6179.6179.3176.10111.2D135 T136 D137K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.1Å; K133-T136 WeakPolarHBondContact O-CB 3.28Å; K133-T136 PolarHBondContact O-N 3Å; K133-D137 PolarHBondContact O-N 3.11Å
134T54.6Low60.1Low84 Ų84100.6 Ų100.652%0.51555%0.549SS..Hα-helixtrans-59.1-29175.3-370000113.8T132 D137 K138T132-T134 PolarHBondContact O-N 3.08Å; T132-T134 VanDerWaalsContact O-N 3.15Å; T132-T134 WeakPolarHBondContact OG1-CB 3.36Å; T132-T134 PolarHBondContact OG1-N 2.58Å; T134-D137 WeakPolarHBondContact O-CB 3.46Å; T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.02Å; T134-K138 VanDerWaalsContact O-N 3.11Å
135D64.4Low62.1Low47 Ų47100.2 Ų100.225%0.25154%0.536SS..Hα-helixtrans-82.8-33178.7-59.1-53.6000112.1F131 T132 K133 D137 K138 L139F131-D135 HydrophobicContact CD1-CB 4.05Å; F131-D135 HydrophobicContact CE1-CB 4.25Å; T132-D135 WeakPolarHBondContact CB-OD2 3.3Å; T132-D135 PolarHBondContact N-OD2 3.42Å; T132-D135 PolarHBondContact O-N 2.65Å; T132-D135 PolarHBondContact OG1-N 2.98Å; T132-D135 PolarHBondContact OG1-OD2 3.36Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.1Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D135-K138 PolarHBondContact O-N 3.37Å; D135-K138 IonicContact OD1-NZ 2.71Å; D135-K138 PolarHBondContact OD1-NZ 3.43Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.04Å
136T70.3Confident63.8Low77 Ų7798.3 Ų98.347%0.47252%0.519SS..Hα-helixtrans-61.4-42.4166.8-54.10000110.8T132 K133 L139 M140T132-T136 PolarHBondContact O-N 2.83Å; K133-T136 WeakPolarHBondContact O-CB 3.28Å; K133-T136 PolarHBondContact O-N 3Å; T136-L139 PolarHBondContact O-N 2.95Å; T136-M140 VanDerWaalsContact O-CG 3.26Å; T136-M140 WeakPolarHBondContact O-CG 3.37Å; T136-M140 PolarHBondContact O-N 3.27Å
137D65.8Low65.6Low75 Ų7593.7 Ų93.740%0.40149%0.493SS..Hα-helixtrans-58.2-47.9173.3-104.5-70000112.6K133 T134 D135 L139 M140 K141K133-D137 PolarHBondContact O-N 3.11Å; T134-D137 WeakPolarHBondContact O-CB 3.46Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å; D137-M140 PolarHBondContact O-N 2.96Å; D137-K141 WeakPolarHBondContact O-CB 3.34Å; D137-K141 WeakPolarHBondContact O-CD 3.04Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.42Å; D137-K141 IonicContact OD1-NZ 3.65Å; D137-K141 PolarHBondContact OD1-NZ 3.35Å
138K69.6Low67.2Low125 Ų12593.4 Ų93.454%0.54349%0.488SS..Hα-helixtrans-59.8-44174.7-69.1165.2-157.8162.70111.4T134 D135 M140 K141 S142T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.02Å; T134-K138 VanDerWaalsContact O-N 3.11Å; D135-K138 PolarHBondContact O-N 3.37Å; D135-K138 IonicContact OD1-NZ 2.71Å; D135-K138 PolarHBondContact OD1-NZ 3.43Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 3.42Å; K138-K141 CarbonylContact O-C 3.53Å; K138-K141 PolarHBondContact O-N 2.96Å; K138-K141 VanDerWaalsContact O-N 3.1Å; K138-S142 PolarHBondContact O-N 3.42Å
139L66.3Low69.2Low37 Ų3797 Ų9719%0.19448%0.482CS..Hα-helixtrans-66-31.5178.9-173.761.9000112.5D135 T136 D137 S142 R147 I150D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.04Å; T136-L139 PolarHBondContact O-N 2.95Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å; L139-S142 PolarHBondContact O-OG 2.86Å; L139-S142 VanDerWaalsContact O-OG 3.13Å; L139-R147 HydrophobicContact CD1-CB 4.24Å; L139-R147 HydrophobicContact CD1-CG 3.91Å; L139-R147 HydrophobicContact CG-CG 4.34Å; L139-R147 VanDerWaalsContact O-CZ 3.25Å; L139-R147 PolarHBondContact O-NE 3.46Å; L139-R147 PolarHBondContact O-NH2 3.28Å; L139-I150 HydrophobicContact CD1-CB 3.94Å; L139-I150 HydrophobicContact CD1-CD1 3.72Å; L139-I150 HydrophobicContact CD1-CG1 4.44Å; L139-I150 HydrophobicContact CD1-CG2 3.85Å
140M68.8Low70.9Confident135 Ų13591.1 Ų91.167%0.66546%0.457SS*.Hα-helixtrans-73.9-26.5172.5-70.4-106.357.800112.7T136 D137 K138 R147T136-M140 VanDerWaalsContact O-CG 3.26Å; T136-M140 WeakPolarHBondContact O-CG 3.37Å; T136-M140 PolarHBondContact O-N 3.27Å; D137-M140 PolarHBondContact O-N 2.96Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 3.42Å; M140-R147 PolarHBondContact O-NH2 2.9Å
141K73.5Confident73.1Confident158 Ų15889.2 Ų89.269%0.68744%0.438SS*.Hα-helixtrans-96.1-13.1-179-70.9159.9179.7155.20114.4D137 K138D137-K141 WeakPolarHBondContact O-CB 3.34Å; D137-K141 WeakPolarHBondContact O-CD 3.04Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.42Å; D137-K141 IonicContact OD1-NZ 3.65Å; D137-K141 PolarHBondContact OD1-NZ 3.35Å; K138-K141 CarbonylContact O-C 3.53Å; K138-K141 PolarHBondContact O-N 2.96Å; K138-K141 VanDerWaalsContact O-N 3.1Å
142S75.8Confident75.1Confident23 Ų2389.4 Ų89.416%0.16144%0.439CS..SBendtrans-68.9165.9175.572.50000113.1K138 L139 R147K138-S142 PolarHBondContact O-N 3.42Å; L139-S142 PolarHBondContact O-OG 2.86Å; L139-S142 VanDerWaalsContact O-OG 3.13Å; S142-R147 PolarHBondContact O-NH2 3.42Å
143S82.9Confident76.6Confident48 Ų4893.6 Ų93.634%0.33646%0.455SS..  trans-65158.8173.695.10000111.9E145 E146 R147S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 WeakPolarHBondContact CB-OE2 3.36Å; S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 PolarHBondContact OG-N 3.35Å; S143-E145 PolarHBondContact OG-OE2 2.91Å; S143-E146 PolarHBondContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 2.92Å; S143-R147 WeakPolarHBondContact O-CB 3.39Å; S143-R147 PolarHBondContact O-N 3.13Å
144P79.6Confident78.4Confident79 Ų7988 Ų8851%0.51343%0.433SS..Hα-helixtrans-56.6-40.4175.2-2434.4000113.1R147 E148P144-R147 PolarHBondContact O-N 2.66Å; P144-E148 PolarHBondContact O-N 3.05Å
145E81.4Confident80Confident118 Ų11890.9 Ų90.955%0.55144%0.438SS*.Hα-helixtrans-72.4-32.4-177.4-48.669.9-14800111.5S143 R149S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 WeakPolarHBondContact CB-OE2 3.36Å; S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 PolarHBondContact OG-N 3.35Å; S143-E145 PolarHBondContact OG-OE2 2.91Å; E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.3Å; E145-R149 VanDerWaalsContact O-N 3.13Å; E145-R149 PolarHBondContact O-NE 2.97Å
146E81.1Confident81.3Confident76 Ų7692.5 Ų92.536%0.35545%0.445SS..Hα-helixtrans-71.5-44171.5-172134.9-96.500112.1S143 E148 R149 I150S143-E146 PolarHBondContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 2.92Å; E146-E148 VanDerWaalsContact C-N 3.27Å; E146-E148 PolarHBondContact O-N 2.96Å; E146-R149 WeakPolarHBondContact O-CB 3.43Å; E146-R149 PolarHBondContact O-N 2.82Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.78Å; E146-R149 IonicContact OE1-NH1 2.66Å; E146-R149 PolarHBondContact OE1-NH1 3.29Å; E146-R149 IonicContact OE1-NH2 3.2Å; E146-R149 PolarHBondContact OE1-NH2 3.47Å; E146-I150 HydrophobicContact CG-CD1 3.97Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 2.86Å
147R85.3Confident82.4Confident65 Ų6593 Ų9325%0.24544%0.441CS..Hα-helixtrans-58.2-41.5173.7-174.5177.7-60.2111.518.9111L139 M140 S142 S143 P144 I150 I151L139-R147 HydrophobicContact CD1-CB 4.24Å; L139-R147 HydrophobicContact CD1-CG 3.91Å; L139-R147 HydrophobicContact CG-CG 4.34Å; L139-R147 VanDerWaalsContact O-CZ 3.25Å; L139-R147 PolarHBondContact O-NE 3.46Å; L139-R147 PolarHBondContact O-NH2 3.28Å; M140-R147 PolarHBondContact O-NH2 2.9Å; S142-R147 PolarHBondContact O-NH2 3.42Å; S143-R147 WeakPolarHBondContact O-CB 3.39Å; S143-R147 PolarHBondContact O-N 3.13Å; P144-R147 PolarHBondContact O-N 2.66Å; R147-I150 PolarHBondContact O-N 3.18Å; R147-I151 HydrophobicContact CG-CD1 3.83Å; R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.21Å; R147-I151 PolarHBondContact O-N 2.96Å
148E85.8Confident83.9Confident109 Ų10994.2 Ų94.251%0.50945%0.448SS..Hα-helixtrans-61.3-43.7172.4-89.4-157.5-151.100113.4P144 E146 I151 K152P144-E148 PolarHBondContact O-N 3.05Å; E146-E148 VanDerWaalsContact C-N 3.27Å; E146-E148 PolarHBondContact O-N 2.96Å; E148-I151 PolarHBondContact O-N 2.91Å; E148-K152 WeakPolarHBondContact O-CB 3.39Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 VanDerWaalsContact O-CG 3.24Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3.3Å; E148-K152 WeakPolarHBondContact OE2-CE 3.34Å; E148-K152 IonicContact OE2-NZ 3.35Å; E148-K152 PolarHBondContact OE2-NZ 3.07Å
149R87.6Confident85Confident137 Ų13795.4 Ų95.452%0.51745%0.449SS..Hα-helixtrans-60.3-47.1176.3-77.8-178.5-76.9118.8-8.2111.3E145 E146 K152 Q153E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.3Å; E145-R149 VanDerWaalsContact O-N 3.13Å; E145-R149 PolarHBondContact O-NE 2.97Å; E146-R149 WeakPolarHBondContact O-CB 3.43Å; E146-R149 PolarHBondContact O-N 2.82Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.78Å; E146-R149 IonicContact OE1-NH1 2.66Å; E146-R149 PolarHBondContact OE1-NH1 3.29Å; E146-R149 IonicContact OE1-NH2 3.2Å; E146-R149 PolarHBondContact OE1-NH2 3.47Å; R149-K152 PolarHBondContact O-N 3.39Å; R149-Q153 PolarHBondContact O-N 3.37Å
150I85.5Confident86.4Confident52 Ų5298 Ų9827%0.26746%0.462SS..Hα-helixtrans-65.2-42.6179.2-63.6164.3000110.9L139 E146 R147 K152 Q153 L154L139-I150 HydrophobicContact CD1-CB 3.94Å; L139-I150 HydrophobicContact CD1-CD1 3.72Å; L139-I150 HydrophobicContact CD1-CG1 4.44Å; L139-I150 HydrophobicContact CD1-CG2 3.85Å; E146-I150 HydrophobicContact CG-CD1 3.97Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 2.86Å; R147-I150 PolarHBondContact O-N 3.18Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.09Å; I150-Q153 PolarHBondContact O-N 2.89Å; I150-L154 HydrophobicContact CG2-CD1 3.88Å; I150-L154 HydrophobicContact CG2-CG 4.31Å; I150-L154 WeakPolarHBondContact O-CB 3.47Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.85Å
151I89.4Confident87.6Confident68 Ų6895.7 Ų95.735%0.34945%0.45SS..Hα-helixtrans-63.3-38.5175.6-71.8168.6000111.7R147 E148 K155R147-I151 HydrophobicContact CG-CD1 3.83Å; R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.21Å; R147-I151 PolarHBondContact O-N 2.96Å; E148-I151 PolarHBondContact O-N 2.91Å; I151-K155 HydrophobicContact CG2-CD 4.1Å; I151-K155 WeakPolarHBondContact O-CB 3.42Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.5Å
152K93.2Very high88.6Confident125 Ų12593.4 Ų93.454%0.54344%0.441SS..Hα-helixtrans-64.7-42.6175.3-74.1162.5-172.5163.50111.3E148 R149 I150 K155 E156E148-K152 WeakPolarHBondContact O-CB 3.39Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 VanDerWaalsContact O-CG 3.24Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3.3Å; E148-K152 WeakPolarHBondContact OE2-CE 3.34Å; E148-K152 IonicContact OE2-NZ 3.35Å; E148-K152 PolarHBondContact OE2-NZ 3.07Å; R149-K152 PolarHBondContact O-N 3.39Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.09Å; K152-K155 PolarHBondContact O-N 3.41Å; K152-E156 PolarHBondContact O-N 3.38Å
153Q92.3Very high89.5Confident144 Ų14495.2 Ų95.267%0.67346%0.458SS*.Hα-helixtrans-63.3-48.7175.7-176176.9-6.100112.2R149 I150 K155 E156 E157R149-Q153 PolarHBondContact O-N 3.37Å; I150-Q153 PolarHBondContact O-N 2.89Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 2.66Å; Q153-E156 PolarHBondContact O-N 3.2Å; Q153-E157 PolarHBondContact O-N 3.31Å
154L93.4Very high90.1Very high67 Ų6797.8 Ų97.835%0.35146%0.463SS..Hα-helixtrans-63.9-30.4179.2-69.5172.6000113F131 I150 L158F131-L154 HydrophobicContact CE2-CD2 3.85Å; F131-L154 HydrophobicContact CZ-CD1 4.07Å; F131-L154 HydrophobicContact CZ-CD2 3.92Å; I150-L154 HydrophobicContact CG2-CD1 3.88Å; I150-L154 HydrophobicContact CG2-CG 4.31Å; I150-L154 WeakPolarHBondContact O-CB 3.47Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.85Å; L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 2.96Å
155K88.2Confident90.9Very high143 Ų14399.5 Ų99.562%0.62247%0.468SS*.Hα-helixtrans-69.1-39.5174.3-79.3175.5177.1-177.70113I151 K152 Q153 R159I151-K155 HydrophobicContact CG2-CD 4.1Å; I151-K155 WeakPolarHBondContact O-CB 3.42Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.5Å; K152-K155 PolarHBondContact O-N 3.41Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 2.66Å; K155-R159 WeakPolarHBondContact O-CB 3.46Å; K155-R159 PolarHBondContact O-N 3.04Å; K155-R159 VanDerWaalsContact O-N 3.08Å
156E92.7Very high91.7Very high82 Ų8298 Ų9838%0.38347%0.466SS..Hα-helixtrans-74.2-36.7176-171.159.4-162.100111.6K152 Q153 L158 R159 L160K152-E156 PolarHBondContact O-N 3.38Å; Q153-E156 PolarHBondContact O-N 3.2Å; E156-L158 PolarHBondContact O-N 3.39Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.15Å; E156-R159 IonicContact OE1-CZ 3.89Å; E156-R159 VanDerWaalsContact OE1-CZ 3.27Å; E156-R159 IonicContact OE1-NE 3.72Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.82Å; E156-R159 PolarHBondContact OE1-NH2 3.16Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.15Å; E156-R159 PolarHBondContact OE2-NE 3.21Å; E156-R159 IonicContact OE2-NH2 3.43Å; E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 2.97Å
157E91.9Very high92.4Very high86 Ų86100.2 Ų100.240%0.40248%0.48SS..Hα-helixtrans-61.2-43.9172.5-175.555.6-142.600111.5Q153 R159 L160 Q161Q153-E157 PolarHBondContact O-N 3.31Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 3.48Å; E157-L160 PolarHBondContact O-N 3.19Å; E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 PolarHBondContact OE1-NE2 2.88Å
158L96.7Very high92.9Very high102 Ų102101.9 Ų101.953%0.53449%0.493SS..Hα-helixtrans-57-46171.9178.761.7000111.3L154 E156 L160 Q161 E162L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 2.96Å; E156-L158 PolarHBondContact O-N 3.39Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.36Å; L158-Q161 PolarHBondContact O-N 2.81Å; L158-E162 HydrophobicContact CD1-CG 4.29Å; L158-E162 HydrophobicContact CG-CG 4.44Å; L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 3Å
159R93.9Very high93.4Very high149 Ų149104 Ų10456%0.56250%0.501SS*.Hα-helixtrans-61.4-35.5178.2-158.1-179.677.289.95112.6K155 E156 E157 A163K155-R159 WeakPolarHBondContact O-CB 3.46Å; K155-R159 PolarHBondContact O-N 3.04Å; K155-R159 VanDerWaalsContact O-N 3.08Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.15Å; E156-R159 IonicContact OE1-CZ 3.89Å; E156-R159 VanDerWaalsContact OE1-CZ 3.27Å; E156-R159 IonicContact OE1-NE 3.72Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.82Å; E156-R159 PolarHBondContact OE1-NH2 3.16Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.15Å; E156-R159 PolarHBondContact OE2-NE 3.21Å; E156-R159 IonicContact OE2-NH2 3.43Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 3.48Å; R159-A163 WeakPolarHBondContact O-CB 3.29Å; R159-A163 PolarHBondContact O-N 3.03Å
160L95Very high93.6Very high91 Ų91104.3 Ų104.348%0.47651%0.505SS..Hα-helixtrans-70.4-44174.7-71.4168.8000112E156 E157 L158 A163 K164E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 2.97Å; E157-L160 PolarHBondContact O-N 3.19Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.36Å; L160-A163 PolarHBondContact O-N 3.19Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.71Å
161Q95.3Very high94Very high88 Ų88106.4 Ų106.441%0.41152%0.517SS..Hα-helixtrans-66.3-39175.5-62.4-62.6-22.300111.7E157 L158 K164 L165E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 PolarHBondContact OE1-NE2 2.88Å; L158-Q161 PolarHBondContact O-N 2.81Å; Q161-K164 PolarHBondContact O-N 3.43Å; Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.33Å; Q161-L165 PolarHBondContact O-N 3.45Å
162E94.3Very high94.1Very high109 Ų109111.7 Ų111.751%0.50953%0.532SS..Hα-helixtrans-59.8-48171.7-76.3179.5165.700111.7L158 K164 L165 V166L158-E162 HydrophobicContact CD1-CG 4.29Å; L158-E162 HydrophobicContact CG-CG 4.44Å; L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 3Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 2.75Å; E162-L165 PolarHBondContact O-N 2.83Å; E162-V166 WeakPolarHBondContact O-CG2 3.15Å; E162-V166 PolarHBondContact O-N 3Å
163A93.9Very high93.9Very high62 Ų62111.1 Ų111.151%0.51253%0.532SS..Hα-helixtrans-61.1-41.6177.300000112.3R159 L160 V166 L167R159-A163 WeakPolarHBondContact O-CB 3.29Å; R159-A163 PolarHBondContact O-N 3.03Å; L160-A163 PolarHBondContact O-N 3.19Å; A163-V166 PolarHBondContact O-N 3.38Å; A163-L167 WeakPolarHBondContact O-CB 3.33Å; A163-L167 PolarHBondContact O-N 3.35Å
164K96.4Very high93.8Very high102 Ų102106.7 Ų106.744%0.44352%0.517SS..Hα-helixtrans-62.2-42.5173.7-179.6-176.2175.4-172.10111.8L160 Q161 E162 L167 L168L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.71Å; Q161-K164 PolarHBondContact O-N 3.43Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 2.75Å; K164-L167 PolarHBondContact O-N 3.43Å; K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 2.98Å
165L96.3Very high93.3Very high115 Ų115108.8 Ų108.860%0.60253%0.525SS*.Hα-helixtrans-68.4-39178.3-158.1160.5000111.3Q161 E162 L168 K169Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.33Å; Q161-L165 PolarHBondContact O-N 3.45Å; E162-L165 PolarHBondContact O-N 2.83Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-K169 VanDerWaalsContact O-CB 3.3Å; L165-K169 WeakPolarHBondContact O-CB 3.46Å; L165-K169 PolarHBondContact O-N 3.21Å
166V96.9Very high92.9Very high86 Ų86106.3 Ų106.352%0.52152%0.517SS..Hα-helixtrans-61.7-41.81711690000111.7E162 A163 K169 K170E162-V166 WeakPolarHBondContact O-CG2 3.15Å; E162-V166 PolarHBondContact O-N 3Å; A163-V166 PolarHBondContact O-N 3.38Å; V166-K169 PolarHBondContact O-N 3.39Å; V166-K170 PolarHBondContact O-N 3.4Å
167L95.9Very high91.8Very high122 Ų122107.9 Ų107.964%0.63953%0.525SS*.Hα-helixtrans-64.3-46.1176-177.962.2000111.7A163 K164 K169 K170 L171A163-L167 WeakPolarHBondContact O-CB 3.33Å; A163-L167 PolarHBondContact O-N 3.35Å; K164-L167 PolarHBondContact O-N 3.43Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.49Å; L167-K170 PolarHBondContact O-N 2.84Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.43Å
168L96.4Very high90.6Very high100 Ų100110.8 Ų110.852%0.52454%0.536SS..Hα-helixtrans-61.7-39.7175-71.3168.9000112K164 L165 L171 R172K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 2.98Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-L171 PolarHBondContact O-N 3.48Å; L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 PolarHBondContact O-N 3.42Å
169K95.4Very high88.7Confident155 Ų155112.1 Ų112.167%0.67454%0.54SS*.Hα-helixtrans-63.6-41.3175.1-172.1172.3-178.2174.50111.8L165 V166 L167 Q173L165-K169 VanDerWaalsContact O-CB 3.3Å; L165-K169 WeakPolarHBondContact O-CB 3.46Å; L165-K169 PolarHBondContact O-N 3.21Å; V166-K169 PolarHBondContact O-N 3.39Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.49Å; K169-Q173 WeakPolarHBondContact O-CB 3.39Å; K169-Q173 PolarHBondContact O-N 3.09Å
170K93.7Very high86.9Confident142 Ų142108.4 Ų108.462%0.61754%0.536SS*.Hα-helixtrans-66.3-40.2172.4-82.4-168.6172.4-174.30112.8V166 L167 Q173 S174V166-K170 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 2.84Å; K170-Q173 PolarHBondContact O-N 3.23Å; K170-S174 WeakPolarHBondContact O-CB 3.43Å; K170-S174 PolarHBondContact O-N 3.28Å
171L93.3Very high85Confident97 Ų97109 Ų10951%0.50854%0.544SS..Hα-helixtrans-62.2-47.6177.1-17762.5000111.2L167 L168 Q173 S174 Q175L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.43Å; L168-L171 PolarHBondContact O-N 3.48Å; L171-Q173 PolarHBondContact O-N 3.2Å; L171-S174 WeakPolarHBondContact O-CB 3.11Å; L171-S174 PolarHBondContact O-N 3.04Å; L171-Q175 PolarHBondContact O-N 2.87Å
172R90.9Very high82.9Confident178 Ų178109.4 Ų109.467%0.67255%0.552SS**Hα-helixtrans-61.7-41.9175.3-170.2178.6-178.5-169.80.5111.8L168 S174 Q175 I176L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 PolarHBondContact O-N 3.42Å; R172-S174 VanDerWaalsContact C-N 3.33Å; R172-S174 PolarHBondContact O-N 2.82Å; R172-Q175 PolarHBondContact O-N 3.22Å; R172-I176 HydrophobicContact CG-CD1 3.94Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.85Å
173Q89.9Confident80.8Confident114 Ų114111.6 Ų111.653%0.53356%0.562SS.*Hα-helixtrans-61.8-39.2174.4-177.8171.860.900112.2K169 K170 L171 I176 Q177K169-Q173 WeakPolarHBondContact O-CB 3.39Å; K169-Q173 PolarHBondContact O-N 3.09Å; K170-Q173 PolarHBondContact O-N 3.23Å; L171-Q173 PolarHBondContact O-N 3.2Å; Q173-I176 PolarHBondContact O-N 3.1Å; Q173-Q177 WeakPolarHBondContact O-CB 3.39Å; Q173-Q177 WeakPolarHBondContact O-CG 3.23Å; Q173-Q177 PolarHBondContact O-N 2.97Å
174S89.3Confident78.4Confident51 Ų51117.3 Ų117.336%0.35758%0.576SS.*Hα-helixtrans-67.6-36.7177.1-1720000112.8K170 L171 R172 K178K170-S174 WeakPolarHBondContact O-CB 3.43Å; K170-S174 PolarHBondContact O-N 3.28Å; L171-S174 WeakPolarHBondContact O-CB 3.11Å; L171-S174 PolarHBondContact O-N 3.04Å; R172-S174 VanDerWaalsContact C-N 3.33Å; R172-S174 PolarHBondContact O-N 2.82Å; S174-K178 WeakPolarHBondContact O-CG 3.38Å; S174-K178 PolarHBondContact O-N 3.48Å; S174-K178 VanDerWaalsContact O-N 3.12Å
175Q83.9Confident76.1Confident110 Ų110118.3 Ų118.351%0.51459%0.59SS.*Hα-helixtrans-63.4-51.7172.4-72.6172.4-24.900111.1L171 R172 Q177 K178 E179L171-Q175 PolarHBondContact O-N 2.87Å; R172-Q175 PolarHBondContact O-N 3.22Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.42Å; Q175-K178 WeakPolarHBondContact O-CB 3.4Å; Q175-K178 PolarHBondContact O-N 3.34Å; Q175-E179 PolarHBondContact O-N 2.85Å
176I79.3Confident73.6Confident92 Ų92117.4 Ų117.447%0.47259%0.594SS.*Hα-helixtrans-61.6-38.4-179.3-64.8165000111.8R172 Q173 E179 S180R172-I176 HydrophobicContact CG-CD1 3.94Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.85Å; Q173-I176 PolarHBondContact O-N 3.1Å; I176-E179 PolarHBondContact O-N 3.29Å; I176-S180 PolarHBondContact O-N 2.86Å; I176-S180 PolarHBondContact O-OG 3.49Å
177Q68.6Low70.8Confident114 Ų114118.3 Ų118.353%0.53360%0.604SS.*Hα-helixtrans-67.3-32.4174.3-77.9-179.2-23.500113.1Q173 Q175 S180 T181Q173-Q177 WeakPolarHBondContact O-CB 3.39Å; Q173-Q177 WeakPolarHBondContact O-CG 3.23Å; Q173-Q177 PolarHBondContact O-N 2.97Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.42Å; Q177-S180 PolarHBondContact O-OG 3.28Å; Q177-T181 PolarHBondContact O-N 3.14Å; Q177-T181 PolarHBondContact O-OG1 3.39Å
178K67.2Low68.3Low148 Ų148122.3 Ų122.364%0.64362%0.616SS**Hα-helixtrans-69.8-41.2174.1-76.2175.4177.4-175.60111.5S174 Q175 T181 V182S174-K178 WeakPolarHBondContact O-CG 3.38Å; S174-K178 PolarHBondContact O-N 3.48Å; S174-K178 VanDerWaalsContact O-N 3.12Å; Q175-K178 WeakPolarHBondContact O-CB 3.4Å; Q175-K178 PolarHBondContact O-N 3.34Å; K178-T181 PolarHBondContact O-N 3.32Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 2.9Å
179E56.9Low65.3Low130 Ų130122.4 Ų122.461%0.60763%0.631SS**Hα-helixtrans-67.7-41.7177.4-70.7-176.2100.100112.9Q175 I176 T181 V182 Q183Q175-E179 PolarHBondContact O-N 2.85Å; I176-E179 PolarHBondContact O-N 3.29Å; E179-T181 VanDerWaalsContact C-N 3.26Å; E179-T181 PolarHBondContact O-N 2.86Å; E179-V182 PolarHBondContact O-N 3.49Å; E179-Q183 PolarHBondContact O-N 2.94Å; E179-Q183 VanDerWaalsContact O-N 3.08Å
180S56.8Low62.5Low71 Ų71121.1 Ų121.150%0.49764%0.642SS.*Hα-helixtrans-67.3-25.8179730000113.3I176 Q177I176-S180 PolarHBondContact O-N 2.86Å; I176-S180 PolarHBondContact O-OG 3.49Å; Q177-S180 PolarHBondContact O-OG 3.28Å
181T53.3Low59.8Low102 Ų102117.9 Ų117.963%0.62665%0.648SS**Hα-helixtrans-68.4-36.2169.3-60.50000112.2Q177 K178 E179Q177-T181 PolarHBondContact O-N 3.14Å; Q177-T181 PolarHBondContact O-OG1 3.39Å; K178-T181 PolarHBondContact O-N 3.32Å; E179-T181 VanDerWaalsContact C-N 3.26Å; E179-T181 PolarHBondContact O-N 2.86Å
182V51.2Low56.9Low98 Ų98118.9 Ų118.959%0.59466%0.663SS**Hα-helixtrans-72.4-41.9179.4174.40000111.6K178 E179 K184 V185K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 2.9Å; E179-V182 PolarHBondContact O-N 3.49Å; V182-K184 PolarHBondContact O-N 2.83Å; V182-K184 VanDerWaalsContact O-N 3.1Å; V182-V185 PolarHBondContact O-N 3.49Å; V182-V185 VanDerWaalsContact O-N 3.16Å
183Q50.9Low54.4Low155 Ų155116.9 Ų116.972%0.72467%0.671SS**Hα-helixtrans-61.6-22.1-178.1-74-170.2-20.200114.2E179 V185E179-Q183 PolarHBondContact O-N 2.94Å; E179-Q183 VanDerWaalsContact O-N 3.08Å; Q183-V185 PolarHBondContact O-N 3.24Å
184K43.8Very low52.2Low181 Ų181115.4 Ų115.479%0.78768%0.678SS**THydrogen-bonded Turntrans-79.33.7179-155.5172.4178179.80114.4V182V182-K184 PolarHBondContact O-N 2.83Å; V182-K184 VanDerWaalsContact O-N 3.1Å
185V47.7Very low49.5Very low124 Ų124119.7 Ų119.775%0.75270%0.702SS**THydrogen-bonded Turntrans-108.9-20.8179.6-168.40000113.1V182 Q183V182-V185 PolarHBondContact O-N 3.49Å; V182-V185 VanDerWaalsContact O-N 3.16Å; Q183-V185 PolarHBondContact O-N 3.24Å
186S43.9Very low48.1Very low96 Ų96120.2 Ų120.267%0.67172%0.715SS**  trans-91.70.4-170.4-560000116.1K188S186-K188 PolarHBondContact O-N 3.45Å; S186-K188 VanDerWaalsContact O-N 3.07Å
187S38.4Very low46.4Very low105 Ų105121.7 Ų121.773%0.73473%0.731SS**THydrogen-bonded Turntrans-83.835.2-175.353.90000114.9
188K43.6Very low45.4Very low206 Ų206122.3 Ų122.390%0.89675%0.745SS**THydrogen-bonded Turntrans-157.949.1175-127.1172.4-170.6-178.90117.4S186S186-K188 PolarHBondContact O-N 3.45Å; S186-K188 VanDerWaalsContact O-N 3.07Å
189A33.6Very low44.2Very low101 Ų101123 Ų12384%0.83576%0.755SS**  trans-153.2141155.600000110.2
190S37.2Very low43.2Very low129 Ų129122.9 Ų122.990%0.90276%0.762SS**  trans-127.2138.8172.4-174.10000109.9
191G36.3Very low42.1Very low74 Ų74130.9 Ų130.976%0.76378%0.782SS**  trans91.899.9171.500000115.9
192S33.1Very low40.9Very low117 Ų117129.7 Ų129.782%0.81879%0.79SS**  -173.9150.2101.7-161.10000113.1
193V37.8Very low40Very low136 Ų136130 Ų13082%0.82480%0.796SS**  trans-13.5144.7171.4-177.20000119.9
194A42.5Very low39.5Very low84 Ų84130.3 Ų130.369%0.69480%0.8SS**  trans-71.2157.2-179.600000116.5
195T33.3Very low39Very low140 Ų140128.9 Ų128.986%0.85981%0.806SS**  trans-168.3140.7137.610.10000111.2
196P54.3Low38.3Very low122 Ų122128.4 Ų128.479%0.79281%0.809SS**  trans-108.5145.8173.537.4-30.4000113.5
197P45Very low37.8Very low123 Ų123129.5 Ų129.580%0.79982%0.816SS**  trans-108.8161.4159.921.7-4.1000113
198P47.3Very low37.6Very low127 Ų127134.4 Ų134.483%0.82582%0.824SS**  trans-114.2-174.7-153.242.6-34.8000116.3
199L42.1Very low37.2Very low162 Ų162128 Ų12885%0.84882%0.817SS**  trans-62.8179.6167.4-63.3164.5000113.2
200V35.4Very low37.8Very low127 Ų127128.8 Ų128.877%0.7781%0.814SS**  trans116106.3151-179.70000116.8
201R33Very low37.5Very low239 Ų239130.2 Ų130.290%0.90281%0.81SS**  50.4118.2129.1-150.9-177-140.61500.8118.8
202G29.3Very low37.4Very low78 Ų78134.9 Ų134.980%0.80481%0.812SS**  trans-87.7176.4176.700000115.7
203S31.2Very low37.2Very low104 Ų104134.8 Ų134.873%0.72781%0.807SS**  trans-151.4148.4167.4-177.10000111.7
204M40.3Very low36.7Very low162 Ų162134.6 Ų134.680%0.79881%0.806SS**  trans-66.9147.3173.742.6-83160.300114.2
205T33Very low36.1Very low150 Ų150133.9 Ų133.992%0.9281%0.807SS**  trans-140.1168.8148.452.80000109.5
206S34.5Very low36.3Very low114 Ų114138.2 Ų138.280%0.79781%0.807SS**  trans-141143-166.4174.90000112.4
207S33.6Very low35.5Very low119 Ų119137.2 Ų137.283%0.83280%0.803SS**  trans-153.1162.1161.1600000111
208K34.2Very low35.1Very low208 Ų208137.6 Ų137.690%0.90481%0.809SS**  trans-117.1156.1-166.1-54.3165.9-177.8171.50110.9
209G33.2Very low34.3Very low73 Ų73135.3 Ų135.375%0.75381%0.809SS**  trans161.8124.7161.900000114.4
210P47Very low34.1Very low117 Ų117134.3 Ų134.376%0.7681%0.809SS**  trans-131.6179.1-163.343.6-29.2000117.5
211L31.7Very low33.8Very low158 Ų158134.7 Ų134.783%0.82781%0.812SS**  trans92.8150.8156.2-62.3167.8000120.6
212Q33.2Very low34.1Very low173 Ų173130.4 Ų130.481%0.80881%0.805SS**  trans79.8153.8160.2-54.6-141.951.200119.8
213V28.5Very low35.6Very low115 Ų115132 Ų13270%0.69780%0.802SS**  cis-165.3143.7-48.1116.40000111.1
214T28.8Very low36.9Very low131 Ų131132.6 Ų132.680%0.80480%0.803SS**  trans30.5127155-48.20000123.9
215G29.9Very low37.9Very low70 Ų70130.2 Ų130.272%0.72280%0.799SS**  trans116.4166141.500000117.2
216R37.2Very low38Very low230 Ų230131.3 Ų131.387%0.86880%0.799SS**  cis-170.1154.7-28.3-118.3178.791.9-174.26.3108.7
217S36.4Very low38.3Very low101 Ų101132 Ų13271%0.70680%0.798SS**  trans57.8113.2158.848.20000122.9
218S36.5Very low38.7Very low131 Ų131138.3 Ų138.392%0.91680%0.804SS**  30.4134.2122.7-440000123.3
219G31.2Very low38.7Very low80 Ų80132.2 Ų132.283%0.82580%0.799SS**  trans-172.7138.2159.700000113.4
220T37Very low38.7Very low140 Ų140132.4 Ų132.486%0.85980%0.802SS**  trans-116.4151.9-172.6-52.80000111.6
221V30.3Very low38Very low135 Ų135136 Ų13682%0.81881%0.808SS**  trans169.4150.9138151.50000113.1
222I39.4Very low38Very low149 Ų149136 Ų13676%0.76480%0.804SS**  trans-154.2160.3-172.4-69176.5000106.6
223P60.4Low37.9Very low113 Ų113133.4 Ų133.473%0.73480%0.799SS**  cis-114.3-129.8-7.624.82.2000109.5
224P58.3Low38.8Very low115 Ų115133 Ų13375%0.74780%0.8SS**  cis-136.3-137.8-11.352-30.8000113.8
225P61.8Low39Very low112 Ų112132 Ų13273%0.72780%0.797SS**  trans-136.8-171.5-142.840.4-15.4000118.1
226L35.5Very low39Very low173 Ų173138 Ų13891%0.90680%0.804SS**  trans-162.8168.9150-108.3175.6000112.5
227V40.1Very low39Very low129 Ų129135 Ų13578%0.78280%0.799SS**  trans-142.6141.9-159.3175.20000115.9
228R42.3Very low38.7Very low252 Ų252135.8 Ų135.895%0.95180%0.795SS**  trans-173.8168.1155.4-108.3166.6175.2134.3-1.4111.5
229G34.3Very low38.9Very low79 Ų79133.6 Ų133.681%0.81478%0.78SS**  cis-171.1-22.6-2.100000120.7
230G34.1Very low39.1Very low78 Ų78138 Ų13880%0.80478%0.779SS**  trans124.3179-174.700000114.1
231Q31.7Very low38.9Very low191 Ų191138.8 Ų138.889%0.89378%0.777SS**  cis-164.8160.4-4.1-170.1172.575.300112.1
232H30.9Very low39.2Very low160 Ų160139.1 Ų139.174%0.74178%0.778SS**  trans87.9166.9159.7-138.9-101.4000122
233V30.7Very low39Very low117 Ų117140 Ų14071%0.70978%0.782SS**  trans-151.1-165.5-160.7-117.80000109.8
234P47.1Very low38Very low108 Ų108139.2 Ų139.270%0.70178%0.776SS**  cis-145.816913.845-24.5000121
235S34.1Very low37.5Very low108 Ų108139.4 Ų139.476%0.75578%0.777SS**  trans56.8124139.6-163.20000125
236K30.3Very low36.4Very low198 Ų198142 Ų14286%0.86178%0.784SS**  -176.6123116.7-99167.8-176.4178.40114.4
237H37.4Very low36.7Very low165 Ų165139.2 Ų139.276%0.76477%0.774SS**  trans35.5130138.4165.1-74.5000120.5
238N29.2Very low36.8Very low118 Ų118144.2 Ų144.263%0.63178%0.779SS**  cis-161.8159.219.1-150.9-17000114.2
239S41.8Very low36.2Very low85 Ų85136.1 Ų136.159%0.59477%0.774SS**  trans14149.9148-65.60000123
240Q34.3Very low36.4Very low174 Ų174137 Ų13781%0.81377%0.773SS**  cis-164.6-174.97.5-123.8171.936.800113.9
241I33.2Very low36.4Very low156 Ų156142 Ų14280%0.878%0.776SS**  trans81.674.6167.9-37.3-177.3000117.6
242V37Very low36.8Very low141 Ų141140.5 Ų140.586%0.85577%0.769SS**  trans-138.4144.9144.1179.30000107.7
243M34.3Very low37Very low169 Ų169140.9 Ų140.983%0.83378%0.775SS**PPolyproline II helixtrans-84.2155-178.5-82.9-81.5100.700113.5
244P40.4Very low37.4Very low96 Ų96139.3 Ų139.362%0.62377%0.774SS**PPolyproline II helixtrans-84.1147.7-166.6-9.227.7000114.3
245P47.9Very low36.7Very low118 Ų118139.5 Ų139.577%0.76678%0.778SS**PPolyproline II helixtrans-85.5145.3167.934.7-33000111.8
246L37Very low36.7Very low167 Ų167141.6 Ų141.687%0.87478%0.78SS**  trans-123.2102.3163.8-85.485.2000110
247V43.8Very low36.8Very low114 Ų114144.4 Ų144.469%0.69179%0.785SS**  trans-138.5116.3171.3176.80000110.3
248R40.8Very low36.7Very low234 Ų234143.6 Ų143.688%0.88378%0.782SS**  trans68.7114.6150.5-166.7-175.9-57.1147.85.3118.2
249G29.9Very low37Very low83 Ų83146 Ų14686%0.85679%0.789SS**  trans-147125156.200000109.4
250A37.6Very low36.6Very low96 Ų96150.3 Ų150.379%0.79380%0.8SS**  trans-143.3125.2173.500000108.9
251Q34.8Very low36.5Very low184 Ų184148.1 Ų148.186%0.8679%0.789SS**  trans-175177.7136.5-108.1-175.47.500112
252Q40.3Very low36.5Very low160 Ų160147.7 Ų147.775%0.74878%0.784SS**  trans-69.7160.1-179.7-54.1128.9-88.900112.2
253I35.2Very low36.3Very low167 Ų167146.5 Ų146.586%0.85678%0.782SS**  -175151.1121.6-95.1155000108.9
254A39.8Very low36.2Very low85 Ų85142.3 Ų142.370%0.70278%0.782SS**  trans-114.1161.2173.300000110.8
255S31.7Very low36Very low112 Ų112144.4 Ų144.478%0.78380%0.799SS**  trans85.6130-167.6-39.80000112.2
256L33.9Very low35.4Very low151 Ų151141.7 Ų141.779%0.79179%0.792SS**  cis-161.3118.445.5-178.674000112.3
257R31.9Very low35.9Very low257 Ų257139.5 Ų139.597%0.9779%0.788SS**  trans-148.1129140.4-128.3-176-176.3-163.6-1.4110.6
258Q36.9Very low36.1Very low148 Ų148139.7 Ų139.769%0.69279%0.792SS**  trans-124.6120.5-169.6172.1-170-5.400109.3
259H35.5Very low36.2Very low170 Ų170134 Ų13479%0.78779%0.785SS**  trans169.5135155.1-99.574.7000104.6
260Q32.4Very low36.7Very low175 Ų175138.3 Ų138.382%0.81879%0.788SS**SBendcis-160.4138.512.1169.6-177.763.700106.5
261Q32.8Very low36.6Very low127 Ų127141.2 Ų141.259%0.59379%0.789SS**  cis-158.2179.8-3.1-122.7-69.965.600110
262H33.1Very low36.6Very low147 Ų147140.3 Ų140.368%0.68179%0.789SS**  trans76.789.9158.9-57.8154.8000119.8
263S32.6Very low36.1Very low117 Ų117137.1 Ų137.182%0.81879%0.79SS**  51.2127113-50.60000121.8
264G31.7Very low36.2Very low81 Ų81135.7 Ų135.784%0.83579%0.792SS**  trans143.2109.2149.200000115.4
265S36.3Very low36.1Very low139 Ų139143.4 Ų143.497%0.97280%0.803SS**  trans-87.2129.4168.3174.50000110.4
266G36.1Very low36Very low62 Ų62143.2 Ų143.264%0.63981%0.808SS**  trans-173.4151.6172.800000113.4
267P46.3Very low35.9Very low120 Ų120141.6 Ų141.678%0.77981%0.809SS**PPolyproline II helixtrans-73160.9173.332.3-35.4000111.7
268P49Very low36Very low119 Ų119135.8 Ų135.877%0.77380%0.802SS**PPolyproline II helixtrans-65.3137.2-179.927.1-35000111.9
269P42.8Very low36Very low115 Ų115134.9 Ų134.975%0.74781%0.809SS**PPolyproline II helixtrans-77138.6-178.430.5-34.6000112.4
270L39.8Very low35.8Very low173 Ų173134.1 Ų134.191%0.90681%0.81SS**  trans-112110.8165.5-71.9178.9000110.2
271L36.8Very low35.8Very low157 Ų157131.4 Ų131.482%0.82281%0.806SS**  trans-150.9130.1176.6-78.2-179.5000105.1
272L33.2Very low35.9Very low164 Ų164132.8 Ų132.886%0.85981%0.812SS**  cis-129.8141.518.8-108.952.5000111.8
273A31.5Very low35.9Very low93 Ų93132.3 Ų132.377%0.76981%0.813SS**  trans-154.1149.8150.800000110
274P35.7Very low35.9Very low137 Ų137135.9 Ų135.989%0.8982%0.817SS**  trans-72.2163.5-169-21.435.6000115.8
275R38.1Very low35.8Very low248 Ų248135.5 Ų135.594%0.93681%0.813SS**  trans-95.6144.3-174.7-36.7-177.488.7164.76.9111.5
276A30.4Very low35.7Very low107 Ų107136.2 Ų136.288%0.88480%0.801SS**  trans-136.9152.4158.100000108.7
277S32.1Very low35.8Very low117 Ų117142.8 Ų142.882%0.81881%0.807SS**  trans-103.2149.3-162.744.60000114.6
278V32.8Very low35.3Very low136 Ų136143.8 Ų143.882%0.82480%0.804SS**  trans-134.5140.5156-72.40000108.9
279P38Very low34.7Very low129 Ų129144.4 Ų144.484%0.83880%0.799SS**  trans-79.8158.1178.632.9-34.8000112.3
280N30Very low34Very low153 Ų153146.6 Ų146.682%0.81880%0.8SS**  trans-117.5126.7179.416833.6000110.4
281V33.5Very low33.7Very low119 Ų119146.4 Ų146.472%0.72179%0.794SS**  trans-141107.6173.7177.70000111.6
282Q33.5Very low33.6Very low156 Ų156142.8 Ų142.873%0.72980%0.795SS**  trans60110.7142.3-64.7-175.8-80.300123.5
283I33.7Very low33.8Very low136 Ų136142.6 Ų142.670%0.69779%0.794SS**  65.6113.8109.7-65.3169.6000120.1
284Q32.5Very low34.1Very low192 Ų192145.4 Ų145.490%0.89779%0.794SS**  trans46.6108.4132.6-165.9-176.368.100119.6
285G30.2Very low34.1Very low74 Ų74150.1 Ų150.176%0.76379%0.794SS**  trans-17356.7176.300000119
286Q33.2Very low33.8Very low153 Ų153145.3 Ų145.372%0.71579%0.792SS**  trans48124.7145.1-128.9-171.934.900122
287R38.3Very low33.7Very low201 Ų201144.6 Ų144.676%0.75879%0.786SS**  trans80.1142.2139.387.8-134.1-145.4-175.62.9123.3
288I37.2Very low33.6Very low140 Ų140146.3 Ų146.372%0.71879%0.786SS**  trans93.6108.9143.4-83.4174.4000121.4
289I35Very low33.5Very low132 Ų132145.5 Ų145.568%0.67778%0.782SS**  trans74.5120.5137.4-65.6178.8000121.5
290Q28.9Very low33.2Very low162 Ų162143.8 Ų143.876%0.75778%0.778SS**  trans65.4148.8153.6-88.6-173.884.700118.8
291Q33.4Very low33.6Very low169 Ų169143.7 Ų143.779%0.7978%0.778SS**  cis-130.4146.80.5-61.2-175.7-13.800111.1
292G35.4Very low33.5Very low81 Ų81145.3 Ų145.384%0.83578%0.782SS**  trans-102133.417500000112.6
293L36.6Very low33.6Very low159 Ų159145 Ų14583%0.83279%0.791SS**  trans-75.8126.7-171.3-80.1141.7000114.8
294I38.5Very low33.8Very low152 Ų152146.6 Ų146.678%0.77980%0.797SS**  trans24.7123.8133.2-52.8177.1000117.7
295R35.9Very low34.1Very low237 Ų237143.5 Ų143.589%0.89479%0.791SS**  trans-92128164.9-68.4-177.5176.4-173-0.5112.5
296V31.7Very low34Very low146 Ų146145.4 Ų145.489%0.88579%0.793SS**  trans37.7100.6138.4-1680000119.5
297A26.9Very low34.4Very low93 Ų93144.3 Ų144.377%0.76979%0.79SS**  trans-165121.6143.400000107.3
298N29.6Very low34.4Very low153 Ų153140.7 Ų140.782%0.81879%0.793SS**  91.1149.166.7-167.426.9000113.3
299V31.6Very low34.3Very low119 Ų119142.5 Ų142.572%0.72180%0.798SS**  trans88.4115.9166.3-169.40000119.7
300A31.5Very low34.2Very low93 Ų93140.1 Ų140.177%0.76981%0.807SS**  trans73.4150.9144.900000123.9
301N38.9Very low34.5Very low150 Ų150138.2 Ų138.280%0.80281%0.811SS**  trans-57.8142161.6-64-30.6000111.5
302N31.7Very low34.7Very low153 Ų153136.6 Ų136.682%0.81882%0.818SS**  -173.799.8118.7-92.8-16.9000109.6M304N302-M304 VanDerWaalsContact C-N 3.29Å; N302-M304 PolarHBondContact O-N 3.44Å
303V35.7Very low34.5Very low151 Ų151136.2 Ų136.292%0.91581%0.814SS**  trans-78.485.4170.6-177.60000108.2
304M36.5Very low34.8Very low168 Ų168136.4 Ų136.483%0.82882%0.815SS**  trans-68135.7171.6-163.6170-172.700109.3N302 S306N302-M304 VanDerWaalsContact C-N 3.29Å; N302-M304 PolarHBondContact O-N 3.44Å; M304-S306 PolarHBondContact O-N 3.1Å; M304-S306 VanDerWaalsContact O-N 3.1Å
305V39.5Very low34.8Very low128 Ų128139.2 Ų139.278%0.77682%0.822SS**  trans-76.5100.7-178.4177.90000109.6I307V305-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact O-N 3.11Å
306S27.6Very low34.6Very low113 Ų113131.3 Ų131.379%0.7981%0.814SS**  trans-69.8102.8174.2-64.60000111.3M304M304-S306 PolarHBondContact O-N 3.1Å; M304-S306 VanDerWaalsContact O-N 3.1Å
307I41Very low34.9Very low130 Ų130129.6 Ų129.667%0.66781%0.809SS**  trans-75.9123.1164.3-59.2171.1000107.7V305 H309V305-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact O-N 3.11Å; I307-H309 PolarHBondContact O-N 2.98Å
308P40.3Very low35.1Very low125 Ų125130.6 Ų130.681%0.81281%0.81SS**  trans-76.789175.231.1-33.5000110.6
309H34.6Very low35.7Very low178 Ų178129.5 Ų129.582%0.82481%0.811SS**  trans-70.4125156.8-81.7128.3000108.9I307I307-H309 PolarHBondContact O-N 2.98Å
310G32Very low35.8Very low83 Ų83129 Ų12986%0.85681%0.813SS**  trans-87.2148175.800000112.8
311S35.4Very low36.1Very low121 Ų121129.2 Ų129.285%0.84681%0.809SS**  trans-132.4140.9166.255.50000109.9
312S38.3Very low36.5Very low135 Ų135127.8 Ų127.894%0.94481%0.811SS**  trans-78.7148.9-160.6-56.40000115.2
313G31.1Very low37Very low73 Ų73125.9 Ų125.975%0.75380%0.804SS**  trans-146.738.2-173.600000117.2
314L42.8Very low37.7Very low164 Ų164126.6 Ų126.686%0.85980%0.803SS**  trans59.7123.3160.7-57.2176.6000121.2
315K38.4Very low38.5Very low210 Ų210122.1 Ų122.191%0.91378%0.782SS**  trans61.4116.3152.9-64.6-176.6176.5-178.60119.7
316G32.3Very low40.1Very low71 Ų71119 Ų11973%0.73277%0.766SS**  trans169.570.7163.400000117.1
317S37.3Very low42.3Very low111 Ų111117.2 Ų117.278%0.77675%0.752SS**  trans47123.7159.753.90000121.8
318S30.8Very low44.1Very low114 Ų114113.8 Ų113.880%0.79774%0.743SS**  trans69.396150.1-56.50000120.3
319P41.7Very low46.2Very low130 Ų130110.1 Ų110.184%0.84472%0.721SS**  trans-92.3115159.834-27.1000111.5
320S35Very low48.3Very low108 Ų108108.4 Ų108.476%0.75571%0.707SS**  trans-92.5133.3165.746.20000111
321S38.1Very low50.4Low98 Ų98107.7 Ų107.769%0.68568%0.681SS**  trans50.764.8166.753.40000116.9V323S321-V323 PolarHBondContact O-N 3.2Å
322S46.5Very low52.6Low120 Ų120104.8 Ų104.884%0.83966%0.664SS**  trans-70.866.2149.861.70000109.8
323V42.3Very low54.7Low112 Ų112101.1 Ų101.168%0.67964%0.643SS**  trans-64.5147.4173.6-74.20000109.8S321 D325S321-V323 PolarHBondContact O-N 3.2Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.07Å
324N50Low56.9Low166 Ų16699.4 Ų99.489%0.88862%0.621SS**  trans-66.990174.2-75.4-67.6000109.5S326N324-S326 PolarHBondContact O-N 3.37Å; N324-S326 VanDerWaalsContact O-N 3.08Å
325D53.8Low58.6Low74 Ų7494.4 Ų94.440%0.39659%0.592SS.*  trans-52.4120.1168.3-119.6-29000107.7V323 S329 R330V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.07Å; D325-S329 WeakPolarHBondContact OD1-CB 3.29Å; D325-S329 PolarHBondContact OD1-OG 2.89Å; D325-R330 HydrophobicContact CB-CG 4.36Å; D325-R330 PolarHBondContact O-NH1 2.88Å; D325-R330 PolarHBondContact O-NH2 3.21Å
326S72.4Confident60.5Low63 Ų6389 Ų8944%0.44157%0.573SS.*  trans-58.1148176.9172.40000109.5N324 A328 S329 R330N324-S326 PolarHBondContact O-N 3.37Å; N324-S326 VanDerWaalsContact O-N 3.08Å; S326-A328 PolarHBondContact O-N 3.29Å; S326-A328 VanDerWaalsContact O-N 3.11Å; S326-A328 PolarHBondContact OG-N 2.72Å; S326-S329 WeakPolarHBondContact O-CA 3.36Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.4Å; S326-R330 PolarHBondContact O-N 2.9Å; S326-R330 VanDerWaalsContact O-N 3.12Å
327P75.1Confident62.8Low75 Ų7588.4 Ų88.449%0.48756%0.561SS.*Hα-helixtrans-50.4-35.4171.519.6-32.3000112.3S329 R330 Q331P327-S329 VanDerWaalsContact C-N 3.34Å; P327-S329 PolarHBondContact O-N 3.38Å; P327-R330 PolarHBondContact O-N 2.73Å; P327-Q331 WeakPolarHBondContact O-CB 3.43Å; P327-Q331 PolarHBondContact O-N 3.38Å
328A78.6Confident64.7Low59 Ų5983.4 Ų83.449%0.48853%0.525SS..Hα-helixtrans-64.1-33.1174.100000113.7S326 A332S326-A328 PolarHBondContact O-N 3.29Å; S326-A328 VanDerWaalsContact O-N 3.11Å; S326-A328 PolarHBondContact OG-N 2.72Å; A328-A332 WeakPolarHBondContact O-CB 3.1Å; A328-A332 PolarHBondContact O-N 2.91Å
329S82.9Confident66.8Low48 Ų4885.1 Ų85.134%0.33652%0.515SS..Hα-helixtrans-74.2-44.9178-174.10000111.5D325 S326 P327 Q331 A332 A333D325-S329 WeakPolarHBondContact OD1-CB 3.29Å; D325-S329 PolarHBondContact OD1-OG 2.89Å; S326-S329 WeakPolarHBondContact O-CA 3.36Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.4Å; P327-S329 VanDerWaalsContact C-N 3.34Å; P327-S329 PolarHBondContact O-N 3.38Å; S329-Q331 VanDerWaalsContact C-N 3.28Å; S329-Q331 PolarHBondContact O-N 3.42Å; S329-A332 PolarHBondContact O-N 2.99Å; S329-A332 VanDerWaalsContact O-N 3.17Å; S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 2.93Å
330R80.1Confident68.8Low142 Ų14285.3 Ų85.354%0.53650%0.502SS..Hα-helixtrans-59.3-38.8170.8-85.6-172.3-70.2-74.1-9112D325 S326 P327 A334D325-R330 HydrophobicContact CB-CG 4.36Å; D325-R330 PolarHBondContact O-NH1 2.88Å; D325-R330 PolarHBondContact O-NH2 3.21Å; S326-R330 PolarHBondContact O-N 2.9Å; S326-R330 VanDerWaalsContact O-N 3.12Å; P327-R330 PolarHBondContact O-N 2.73Å; R330-A334 WeakPolarHBondContact O-CB 3.48Å; R330-A334 PolarHBondContact O-N 3.06Å
331Q75.9Confident70.5Confident68 Ų6885.3 Ų85.332%0.31849%0.49SS..Hα-helixtrans-63.4-46173.4-176171.515.700112.1P327 S329 A334 K335 I468P327-Q331 WeakPolarHBondContact O-CB 3.43Å; P327-Q331 PolarHBondContact O-N 3.38Å; S329-Q331 VanDerWaalsContact C-N 3.28Å; S329-Q331 PolarHBondContact O-N 3.42Å; Q331-A334 PolarHBondContact O-N 3.38Å; Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 2.98Å; Q331-I468 HydrophobicContact CB-CD1 3.92Å; Q331-I468 HydrophobicContact CG-CD1 3.76Å
332A80.6Confident72Confident59 Ų5982.1 Ų82.149%0.48847%0.465SS..Hα-helixtrans-61.9-44.6176.500000112.2A328 S329 K335 L336A328-A332 WeakPolarHBondContact O-CB 3.1Å; A328-A332 PolarHBondContact O-N 2.91Å; S329-A332 PolarHBondContact O-N 2.99Å; S329-A332 VanDerWaalsContact O-N 3.17Å; A332-K335 PolarHBondContact O-N 2.9Å; A332-L336 VanDerWaalsContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 PolarHBondContact O-N 3.38Å
333A83.6Confident73.4Confident59 Ų5982.2 Ų82.249%0.48845%0.452SS..Hα-helixtrans-62.3-44.7176.900000112.1S329 L336 A337S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 2.93Å; A333-L336 PolarHBondContact O-N 3.19Å; A333-A337 WeakPolarHBondContact O-CB 3.4Å; A333-A337 PolarHBondContact O-N 2.82Å
334A77.3Confident75.3Confident36 Ų3682.7 Ų82.730%0.29845%0.445SS..Hα-helixtrans-62.9-45.3176.300000112.3R330 Q331 L336 A337 L338 I464R330-A334 WeakPolarHBondContact O-CB 3.48Å; R330-A334 PolarHBondContact O-N 3.06Å; Q331-A334 PolarHBondContact O-N 3.38Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.87Å; A334-A337 PolarHBondContact O-N 3.37Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 2.91Å; A334-I464 HydrophobicContact CB-CG2 4.35Å
335K78.2Confident76.3Confident59 Ų5977.4 Ų77.426%0.25742%0.419SS..Hα-helixtrans-64.8-33.7177.6-161.3174-178.5750111.7Q331 A332 R339 E461 E465Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 2.98Å; A332-K335 PolarHBondContact O-N 2.9Å; K335-R339 VanDerWaalsContact O-CG 3.31Å; K335-R339 WeakPolarHBondContact O-CG 3.37Å; K335-R339 PolarHBondContact O-N 3.12Å; K335-R339 VanDerWaalsContact O-N 3.07Å; K335-E461 WeakPolarHBondContact CE-OE1 3.43Å; K335-E461 IonicContact NZ-OE1 2.71Å; K335-E461 PolarHBondContact NZ-OE1 3.1Å; K335-E465 IonicContact NZ-OE1 3.99Å; K335-E465 PolarHBondContact NZ-OE1 2.92Å
336L78.2Confident77Confident98 Ų9876.6 Ų76.651%0.51342%0.415SS..Hα-helixtrans-76.8-37.3176-168.8139.5000112.9A332 A333 A334 R339 K340A332-L336 VanDerWaalsContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 PolarHBondContact O-N 3.38Å; A333-L336 PolarHBondContact O-N 3.19Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.87Å; L336-R339 PolarHBondContact O-N 3.32Å; L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 PolarHBondContact O-N 2.92Å; L336-K340 VanDerWaalsContact O-N 3.09Å
337A81.3Confident76.9Confident57 Ų5780.5 Ų80.547%0.47143%0.43SS..Hα-helixtrans-63-42.8170.700000111.4A333 A334 K340 Q341A333-A337 WeakPolarHBondContact O-CB 3.4Å; A333-A337 PolarHBondContact O-N 2.82Å; A334-A337 PolarHBondContact O-N 3.37Å; A337-K340 PolarHBondContact O-N 3.06Å; A337-Q341 PolarHBondContact O-N 2.81Å
338L76.1Confident76.9Confident6 Ų682.3 Ų82.33%0.03143%0.432CS..Hα-helixtrans-57.7-51173.5-171.574.6000110.9A334 K340 Q341 L342 Q460 E461 I464A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 2.91Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.13Å; L338-Q341 PolarHBondContact O-N 3.42Å; L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.41Å; L338-L342 VanDerWaalsContact O-CG 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.27Å; L338-L342 PolarHBondContact O-N 2.9Å; L338-Q460 HydrophobicContact CD1-CB 4.13Å; L338-Q460 HydrophobicContact CD1-CG 3.66Å; L338-E461 HydrophobicContact CD2-CB 3.66Å; L338-E461 HydrophobicContact CD2-CG 4.12Å; L338-I464 HydrophobicContact CD1-CD1 4.1Å; L338-I464 HydrophobicContact CD2-CD1 4.29Å
339R76Confident76.6Confident151 Ų15180.8 Ų80.857%0.5742%0.415SS*.Hα-helixtrans-55.8-42.1177.7-75.8171.9-179.7-163.5-2.7112.9K335 L336 L342 E343K335-R339 VanDerWaalsContact O-CG 3.31Å; K335-R339 WeakPolarHBondContact O-CG 3.37Å; K335-R339 PolarHBondContact O-N 3.12Å; K335-R339 VanDerWaalsContact O-N 3.07Å; L336-R339 PolarHBondContact O-N 3.32Å; R339-L342 PolarHBondContact O-N 3.33Å; R339-E343 WeakPolarHBondContact O-CB 3.48Å; R339-E343 PolarHBondContact O-N 2.87Å
340K82.2Confident76.1Confident133 Ų13382.3 Ų82.358%0.57842%0.424SS*.Hα-helixtrans-65.4-39.3174.4-73.8-179.8173.4-178.60113.1L336 A337 L338 L342 K344L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 PolarHBondContact O-N 2.92Å; L336-K340 VanDerWaalsContact O-N 3.09Å; A337-K340 PolarHBondContact O-N 3.06Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.13Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.46Å; K340-K344 WeakPolarHBondContact O-CB 3.39Å; K340-K344 PolarHBondContact O-N 3.42Å
341Q72.4Confident75.7Confident109 Ų10980.7 Ų80.751%0.50943%0.431SS..Hα-helixtrans-66-33174.9-178.5169.1-29.400111.8A337 L338 T345A337-Q341 PolarHBondContact O-N 2.81Å; L338-Q341 PolarHBondContact O-N 3.42Å; Q341-T345 WeakPolarHBondContact O-CB 3.46Å; Q341-T345 PolarHBondContact O-N 2.89Å; Q341-T345 PolarHBondContact O-OG1 2.78Å
342L67.8Low75.2Confident30 Ų3080 Ų8016%0.15743%0.433CS..Hα-helixtrans-75.5-41.5177.1-66.7170000112.5L338 R339 K340 K344 T345 L346 A457L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.41Å; L338-L342 VanDerWaalsContact O-CG 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.27Å; L338-L342 PolarHBondContact O-N 2.9Å; R339-L342 PolarHBondContact O-N 3.33Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.46Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-T345 PolarHBondContact O-N 3.27Å; L342-T345 VanDerWaalsContact O-N 3.16Å; L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 2.85Å; L342-A457 HydrophobicContact CD1-CB 3.5Å; L342-A457 VanDerWaalsContact CD1-CB 3.5Å; L342-A457 HydrophobicContact CD2-CB 3.38Å; L342-A457 HydrophobicContact CG-CB 4Å
343E77.1Confident74.7Confident123 Ų12385.9 Ų85.958%0.57545%0.448SS*.Hα-helixtrans-55.7-49.3169.5-178.8172.5-151.800110.6R339 T345 L346 L347R339-E343 WeakPolarHBondContact O-CB 3.48Å; R339-E343 PolarHBondContact O-N 2.87Å; E343-T345 PolarHBondContact O-N 2.97Å; E343-L346 PolarHBondContact O-N 3.11Å; E343-L347 HydrophobicContact CG-CD1 4.08Å; E343-L347 WeakPolarHBondContact O-CB 3.39Å; E343-L347 PolarHBondContact O-N 2.94Å
344K81.2Confident73.9Confident121 Ų12188 Ų8853%0.52646%0.457SS..Hα-helixtrans-56.2-50.6170.9-172.9-172.9-175-97.80111.5K340 L342 L346 L347 E348K340-K344 WeakPolarHBondContact O-CB 3.39Å; K340-K344 PolarHBondContact O-N 3.42Å; L342-K344 VanDerWaalsContact C-N 3.35Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.31Å; K344-L347 PolarHBondContact O-N 3.02Å; K344-E348 VanDerWaalsContact NZ-CD 3.31Å; K344-E348 IonicContact NZ-OE1 3.11Å; K344-E348 PolarHBondContact NZ-OE1 3.05Å; K344-E348 IonicContact NZ-OE2 2.78Å; K344-E348 PolarHBondContact NZ-OE2 2.85Å; K344-E348 WeakPolarHBondContact O-CB 3.46Å; K344-E348 PolarHBondContact O-N 2.77Å
345T71.6Confident73.5Confident56 Ų5689.3 Ų89.334%0.34446%0.462SS..Hα-helixtrans-61.8-35.7-175.8-58.90000112Q341 L342 E343 I349Q341-T345 WeakPolarHBondContact O-CB 3.46Å; Q341-T345 PolarHBondContact O-N 2.89Å; Q341-T345 PolarHBondContact O-OG1 2.78Å; L342-T345 PolarHBondContact O-N 3.27Å; L342-T345 VanDerWaalsContact O-N 3.16Å; E343-T345 PolarHBondContact O-N 2.97Å; T345-I349 VanDerWaalsContact O-CG1 3.32Å; T345-I349 WeakPolarHBondContact O-CG1 3.23Å; T345-I349 PolarHBondContact O-N 2.71Å
346L69.3Low73.2Confident57 Ų5790.6 Ų90.630%0.29848%0.484SS..Hα-helixtrans-72.7-41.6176.1-72.9164.5000112.2L342 E343 K344 E348 I349 L450 A453 F454L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 2.85Å; E343-L346 PolarHBondContact O-N 3.11Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.31Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 2.87Å; L346-I349 HydrophobicContact CD2-CD1 4.28Å; L346-I349 PolarHBondContact O-N 3.44Å; L346-L450 HydrophobicContact CD2-CG 4.43Å; L346-A453 HydrophobicContact CD2-CB 4.24Å; L346-F454 HydrophobicContact CD1-CD1 4.49Å; L346-F454 HydrophobicContact CD1-CE1 3.64Å; L346-F454 HydrophobicContact CD1-CE2 4.44Å; L346-F454 HydrophobicContact CD1-CZ 3.61Å; L346-F454 HydrophobicContact CD2-CD2 4.33Å; L346-F454 HydrophobicContact CD2-CE1 4.34Å; L346-F454 HydrophobicContact CD2-CE2 3.8Å; L346-F454 HydrophobicContact CD2-CZ 3.8Å; L346-F454 HydrophobicContact CG-CZ 4.39Å
347L69.9Low72.7Confident144 Ų14490.6 Ų90.675%0.75449%0.489SS*.Hα-helixtrans-64.8-28.8172.5-83.1157.5000112.9E343 K344E343-L347 HydrophobicContact CG-CD1 4.08Å; E343-L347 WeakPolarHBondContact O-CB 3.39Å; E343-L347 PolarHBondContact O-N 2.94Å; K344-L347 PolarHBondContact O-N 3.02Å
348E75.1Confident72.1Confident114 Ų11492.8 Ų92.853%0.53349%0.49SS..THydrogen-bonded Turntrans-87.8-4.7-178.3-165.7164.3-154.700113.2K344 L346 P350K344-E348 VanDerWaalsContact NZ-CD 3.31Å; K344-E348 IonicContact NZ-OE1 3.11Å; K344-E348 PolarHBondContact NZ-OE1 3.05Å; K344-E348 IonicContact NZ-OE2 2.78Å; K344-E348 PolarHBondContact NZ-OE2 2.85Å; K344-E348 WeakPolarHBondContact O-CB 3.46Å; K344-E348 PolarHBondContact O-N 2.77Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 2.87Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å
349I72.6Confident71.5Confident26 Ų26100 Ų10013%0.13352%0.521CS..SBendtrans-67111.8169.1-57.2-176.2000108.2T345 L346 R449 L450 A453T345-I349 VanDerWaalsContact O-CG1 3.32Å; T345-I349 WeakPolarHBondContact O-CG1 3.23Å; T345-I349 PolarHBondContact O-N 2.71Å; L346-I349 HydrophobicContact CD2-CD1 4.28Å; L346-I349 PolarHBondContact O-N 3.44Å; I349-R449 HydrophobicContact CG2-CB 4.3Å; I349-L450 HydrophobicContact CD1-CD1 3.65Å; I349-L450 HydrophobicContact CD1-CG 3.97Å; I349-L450 HydrophobicContact CG2-CD1 4.14Å; I349-A453 HydrophobicContact CD1-CB 4.24Å
350P71.9Confident71Confident80 Ų8096.1 Ų96.152%0.51951%0.512SS..  trans-65.2142.6-175.8-20.934.6000110.5E348E348-P350 WeakPolarHBondContact O-CD 3.49Å
351P71.7Confident70.2Confident108 Ų10898.3 Ų98.370%0.70152%0.522SS*.  trans-56.6141.8172.225.1-33.7000109.3K353P351-K353 PolarHBondContact O-N 2.87Å
352P65.8Low69.8Low53 Ų53100.5 Ų100.534%0.34454%0.536SS..  trans-58.6114.6-177.323.6-32.7000108.9L442 H446P352-L442 HydrophobicContact CB-CB 4.48Å; P352-H446 HydrophobicContact CG-CB 4.29Å
353K69.5Low69.9Low184 Ų184102.2 Ų102.280%0.855%0.549SS*.PPolyproline II helixtrans-53.3128.5-175.3-171.6173.1-176.51730108.4P351P351-K353 PolarHBondContact O-N 2.87Å
354P67.1Low69.6Low104 Ų104100.2 Ų100.268%0.67555%0.548SS*.PPolyproline II helixtrans-55.5138.2179.822.5-33.3000109.1A356P354-A356 PolarHBondContact O-N 3.34Å
355P69.4Low69.1Low62 Ų6298.4 Ų98.440%0.40356%0.556SS.*PPolyproline II helixtrans-56.3138.6174.726-33.6000108.3L442P355-L442 HydrophobicContact CG-CD1 4.46Å
356A71.3Confident69.4Low87 Ų8799.6 Ų99.672%0.71957%0.572SS**PPolyproline II helixtrans-54.3130-178.800000109.2P354 E358P354-A356 PolarHBondContact O-N 3.34Å; A356-E358 PolarHBondContact O-N 3.13Å
357P68.1Low70.1Confident98 Ų98100.2 Ų100.264%0.63658%0.575SS**PPolyproline II helixtrans-56.1117.6177-25.434.4000109.6F359P357-F359 HydrophobicContact CB-CE2 4.13Å; P357-F359 HydrophobicContact CB-CZ 4.3Å; P357-F359 VanDerWaalsContact O-CD2 3.25Å; P357-F359 WeakPolarHBondContact O-CD2 3.29Å; P357-F359 PolarHBondContact O-N 3.47Å
358E67.8Low70.9Confident102 Ų10297.9 Ų97.948%0.47756%0.564SS.*  trans-74.3100.6172-81.2-167.5-174.300109.2A356 N360 R419 R421A356-E358 PolarHBondContact O-N 3.13Å; E358-N360 WeakPolarHBondContact CB-ND2 3.43Å; E358-N360 PolarHBondContact O-N 3.17Å; E358-N360 PolarHBondContact O-ND2 3.1Å; E358-R419 IonicContact OE2-NH1 2.65Å; E358-R419 PolarHBondContact OE2-NH1 3.4Å; E358-R419 VanDerWaalsContact OE2-NH1 3.11Å; E358-R421 IonicContact OE1-CZ 3.29Å; E358-R421 IonicContact OE1-NH1 2.82Å; E358-R421 PolarHBondContact OE1-NH1 2.76Å; E358-R421 IonicContact OE1-NH2 2.75Å; E358-R421 IonicContact OE2-CZ 2.68Å; E358-R421 IonicContact OE2-NH1 3.27Å; E358-R421 PolarHBondContact OE2-NH1 3.39Å; E358-R421 IonicContact OE2-NH2 3.03Å; E358-R421 PolarHBondContact OE2-NH2 3.04Å
359F64.1Low71.5Confident158 Ų15899 Ų9969%0.69357%0.569SS**  trans-65.380.1165.7-64.2-80.3000109.5P357 F361P357-F359 HydrophobicContact CB-CE2 4.13Å; P357-F359 HydrophobicContact CB-CZ 4.3Å; P357-F359 VanDerWaalsContact O-CD2 3.25Å; P357-F359 WeakPolarHBondContact O-CD2 3.29Å; P357-F359 PolarHBondContact O-N 3.47Å; F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.61Å; F359-F361 HydrophobicContact CB-CZ 4.03Å; F359-F361 VanDerWaalsContact O-CD2 3.27Å; F359-F361 WeakPolarHBondContact O-CD2 3.1Å; F359-F361 PolarHBondContact O-N 2.96Å
360N66.3Low72Confident70 Ų70100.5 Ų100.537%0.37458%0.575SS.*  trans-7185.8163.4-67.8-92.7000106E358 L362 R419E358-N360 WeakPolarHBondContact CB-ND2 3.43Å; E358-N360 PolarHBondContact O-N 3.17Å; E358-N360 PolarHBondContact O-ND2 3.1Å; N360-L362 PolarHBondContact O-N 3.16Å; N360-R419 WeakPolarHBondContact OD1-CD 3.41Å; N360-R419 VanDerWaalsContact OD1-CZ 3.23Å; N360-R419 PolarHBondContact OD1-NE 3.44Å; N360-R419 PolarHBondContact OD1-NH1 3.28Å
361F64.6Low72.6Confident178 Ų178100.4 Ų100.478%0.78157%0.569SS**  trans-63.490.6171.3-69.2-83.7000108.3F359 P363F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.61Å; F359-F361 HydrophobicContact CB-CZ 4.03Å; F359-F361 VanDerWaalsContact O-CD2 3.27Å; F359-F361 WeakPolarHBondContact O-CD2 3.1Å; F359-F361 PolarHBondContact O-N 2.96Å; F361-P363 VanDerWaalsContact O-CD 3.25Å; F361-P363 WeakPolarHBondContact O-CD 3.35Å
362L63.9Low73.4Confident156 Ų156102.8 Ų102.882%0.81757%0.565SS**  trans-82106.6164-64.8172.8000106.2N360N360-L362 PolarHBondContact O-N 3.16Å
363P68.9Low74.5Confident65 Ų65105.6 Ų105.642%0.42258%0.576SS.*  trans-65.7146.5178.3-20.137.4000108.9F361 A365 F370F361-P363 VanDerWaalsContact O-CD 3.25Å; F361-P363 WeakPolarHBondContact O-CD 3.35Å; P363-A365 PolarHBondContact O-N 2.75Å; P363-A365 VanDerWaalsContact O-N 3.15Å; P363-F370 HydrophobicContact CB-CD1 3.68Å; P363-F370 HydrophobicContact CB-CD2 4.11Å; P363-F370 HydrophobicContact CB-CE1 3.71Å; P363-F370 HydrophobicContact CB-CE2 4.16Å; P363-F370 HydrophobicContact CB-CG 3.88Å; P363-F370 HydrophobicContact CB-CZ 3.96Å; P363-F370 HydrophobicContact CG-CD1 4.13Å; P363-F370 HydrophobicContact CG-CD2 4.16Å; P363-F370 HydrophobicContact CG-CE1 3.66Å; P363-F370 HydrophobicContact CG-CE2 3.72Å; P363-F370 HydrophobicContact CG-CG 4.35Å; P363-F370 HydrophobicContact CG-CZ 3.44Å; P363-F370 VanDerWaalsContact CG-CZ 3.44Å
364S71.6Confident75.3Confident81 Ų81100.5 Ų100.557%0.56656%0.557SS**  trans-58123-170.3-177.80000111.3A366 N367S364-A366 PolarHBondContact O-N 3.21Å; S364-A366 PolarHBondContact OG-N 3.33Å; S364-N367 WeakPolarHBondContact O-CB 3.38Å; S364-N367 PolarHBondContact O-N 3.01Å
365A70.4Confident76.2Confident83 Ų8397.4 Ų97.469%0.68654%0.544SS*.THydrogen-bonded Turntrans-65-4.5173.800000113.4P363 N367P363-A365 PolarHBondContact O-N 2.75Å; P363-A365 VanDerWaalsContact O-N 3.15Å; A365-N367 VanDerWaalsContact C-N 3.35Å
366A78Confident77.3Confident81 Ų8199.6 Ų99.667%0.66955%0.552SS**THydrogen-bonded Turntrans-81.2-11.7166.600000113.3S364 N368S364-A366 PolarHBondContact O-N 3.21Å; S364-A366 PolarHBondContact OG-N 3.33Å; A366-N368 PolarHBondContact O-N 2.94Å
367N85.3Confident78.1Confident71 Ų71101.7 Ų101.738%0.3855%0.547SS..  trans-89.2100.5171.5-172.9-0.8000110.7S364 A365 E369 F370 I371S364-N367 WeakPolarHBondContact O-CB 3.38Å; S364-N367 PolarHBondContact O-N 3.01Å; A365-N367 VanDerWaalsContact C-N 3.35Å; N367-E369 VanDerWaalsContact C-N 3.27Å; N367-E369 PolarHBondContact O-N 3.07Å; N367-E369 WeakPolarHBondContact OD1-CB 3.48Å; N367-E369 PolarHBondContact OD1-N 3.36Å; N367-F370 HydrophobicContact CB-CB 4.42Å; N367-F370 PolarHBondContact O-N 2.99Å; N367-I371 PolarHBondContact O-N 3.04Å
368N85.2Confident79Confident95 Ų95103.6 Ų103.651%0.50855%0.547SS..Hα-helixtrans-61.6-31.6177.5-58.8-76.3000113A366 F370 I371 Y372A366-N368 PolarHBondContact O-N 2.94Å; N368-F370 VanDerWaalsContact C-N 3.31Å; N368-F370 PolarHBondContact O-N 3.2Å; N368-I371 PolarHBondContact O-N 2.95Å; N368-I371 VanDerWaalsContact O-N 3.16Å; N368-Y372 HydrophobicContact CB-CE2 3.97Å; N368-Y372 WeakPolarHBondContact O-CD2 3.36Å; N368-Y372 PolarHBondContact O-N 3.1Å
369E87.4Confident80Confident137 Ų137102.7 Ų102.764%0.6455%0.549SS*.Hα-helixtrans-61.5-41.3178.4-58.6-175.8116.800111.3N367 I371 Y372 L373N367-E369 VanDerWaalsContact C-N 3.27Å; N367-E369 PolarHBondContact O-N 3.07Å; N367-E369 WeakPolarHBondContact OD1-CB 3.48Å; N367-E369 PolarHBondContact OD1-N 3.36Å; E369-I371 VanDerWaalsContact C-N 3.35Å; E369-I371 PolarHBondContact O-N 3.1Å; E369-Y372 PolarHBondContact O-N 3.07Å; E369-L373 VanDerWaalsContact O-CG 3.32Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.28Å
370F83.7Confident81.4Confident58 Ų5899 Ų9925%0.25454%0.539SS..Hα-helixtrans-66.1-37.2176.5176.9-107.5000112.1P363 N367 N368 Y372 L373 L374P363-F370 HydrophobicContact CB-CD1 3.68Å; P363-F370 HydrophobicContact CB-CD2 4.11Å; P363-F370 HydrophobicContact CB-CE1 3.71Å; P363-F370 HydrophobicContact CB-CE2 4.16Å; P363-F370 HydrophobicContact CB-CG 3.88Å; P363-F370 HydrophobicContact CB-CZ 3.96Å; P363-F370 HydrophobicContact CG-CD1 4.13Å; P363-F370 HydrophobicContact CG-CD2 4.16Å; P363-F370 HydrophobicContact CG-CE1 3.66Å; P363-F370 HydrophobicContact CG-CE2 3.72Å; P363-F370 HydrophobicContact CG-CG 4.35Å; P363-F370 HydrophobicContact CG-CZ 3.44Å; P363-F370 VanDerWaalsContact CG-CZ 3.44Å; N367-F370 HydrophobicContact CB-CB 4.42Å; N367-F370 PolarHBondContact O-N 2.99Å; N368-F370 VanDerWaalsContact C-N 3.31Å; N368-F370 PolarHBondContact O-N 3.2Å; F370-Y372 VanDerWaalsContact C-N 3.34Å; F370-L373 PolarHBondContact O-N 3.32Å; F370-L374 HydrophobicContact CD1-CD1 4.13Å; F370-L374 HydrophobicContact CD1-CG 4.4Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CD2 4.48Å; F370-L374 HydrophobicContact CE1-CG 3.79Å; F370-L374 HydrophobicContact CE2-CD1 4.34Å; F370-L374 HydrophobicContact CE2-CD2 4.08Å; F370-L374 HydrophobicContact CE2-CG 3.89Å; F370-L374 HydrophobicContact CZ-CD1 3.47Å; F370-L374 VanDerWaalsContact CZ-CD1 3.47Å; F370-L374 HydrophobicContact CZ-CD2 3.74Å; F370-L374 HydrophobicContact CZ-CG 3.49Å; F370-L374 VanDerWaalsContact CZ-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.42Å
371I84.9Confident82.4Confident78 Ų78101 Ų10140%0.455%0.546SS..Hα-helixtrans-63.8-41.2175.1-62.2174.2000110.6N367 N368 E369 G375N367-I371 PolarHBondContact O-N 3.04Å; N368-I371 PolarHBondContact O-N 2.95Å; N368-I371 VanDerWaalsContact O-N 3.16Å; E369-I371 VanDerWaalsContact C-N 3.35Å; E369-I371 PolarHBondContact O-N 3.1Å; I371-G375 PolarHBondContact O-N 2.88Å
372Y88.6Confident83.4Confident157 Ų15796.1 Ų96.162%0.61653%0.525SS*.Hα-helixtrans-66.6-40.2174.8-57.8-41000112.3N368 E369 F370 G375 L376N368-Y372 HydrophobicContact CB-CE2 3.97Å; N368-Y372 WeakPolarHBondContact O-CD2 3.36Å; N368-Y372 PolarHBondContact O-N 3.1Å; E369-Y372 PolarHBondContact O-N 3.07Å; F370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-G375 PolarHBondContact O-N 3.25Å; Y372-L376 WeakPolarHBondContact O-CG 3.44Å; Y372-L376 PolarHBondContact O-N 3.43Å
373L89Confident84.5Confident112 Ų11292.7 Ų92.759%0.58651%0.507SS*.Hα-helixtrans-65.2-41.5176.6-71170000112.4E369 F370 L376 E377E369-L373 VanDerWaalsContact O-CG 3.32Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.28Å; F370-L373 PolarHBondContact O-N 3.32Å; L373-L376 PolarHBondContact O-N 3.18Å; L373-E377 WeakPolarHBondContact O-CB 3.46Å; L373-E377 PolarHBondContact O-N 3.06Å
374L85.2Confident85.4Confident77 Ų7794.4 Ų94.440%0.40351%0.512SS..Hα-helixtrans-61.8-42.3170.8-77.9-175.9000112.2F370 L376 E377 E378F370-L374 HydrophobicContact CD1-CD1 4.13Å; F370-L374 HydrophobicContact CD1-CG 4.4Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CD2 4.48Å; F370-L374 HydrophobicContact CE1-CG 3.79Å; F370-L374 HydrophobicContact CE2-CD1 4.34Å; F370-L374 HydrophobicContact CE2-CD2 4.08Å; F370-L374 HydrophobicContact CE2-CG 3.89Å; F370-L374 HydrophobicContact CZ-CD1 3.47Å; F370-L374 VanDerWaalsContact CZ-CD1 3.47Å; F370-L374 HydrophobicContact CZ-CD2 3.74Å; F370-L374 HydrophobicContact CZ-CG 3.49Å; F370-L374 VanDerWaalsContact CZ-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.42Å; L374-L376 VanDerWaalsContact C-N 3.29Å; L374-L376 PolarHBondContact O-N 3Å; L374-E377 PolarHBondContact O-N 2.98Å; L374-E378 PolarHBondContact O-N 2.89Å
375G87.6Confident85.8Confident39 Ų3993.4 Ų93.440%0.40250%0.498SS..Hα-helixtrans-61.5-38.3176.600000112.5I371 Y372 V379I371-G375 PolarHBondContact O-N 2.88Å; Y372-G375 PolarHBondContact O-N 3.25Å; G375-V379 WeakPolarHBondContact O-CB 3.3Å; G375-V379 VanDerWaalsContact O-CG2 3.26Å; G375-V379 WeakPolarHBondContact O-CG2 3.42Å; G375-V379 PolarHBondContact O-N 3.47Å; G375-V379 VanDerWaalsContact O-N 3.12Å
376L91.1Very high86.1Confident108 Ų10893.3 Ų93.357%0.56548%0.484SS*.Hα-helixtrans-70.4-38.8173.8-70169.1000112.2Y372 L373 L374 V379 V380Y372-L376 WeakPolarHBondContact O-CG 3.44Å; Y372-L376 PolarHBondContact O-N 3.43Å; L373-L376 PolarHBondContact O-N 3.18Å; L374-L376 VanDerWaalsContact C-N 3.29Å; L374-L376 PolarHBondContact O-N 3Å; L376-V379 PolarHBondContact O-N 2.81Å; L376-V380 WeakPolarHBondContact O-CB 2.89Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.33Å; L376-V380 PolarHBondContact O-N 2.85Å
377E88.1Confident86Confident131 Ų13196.5 Ų96.561%0.61249%0.485SS*.Hα-helixtrans-60.8-47.4174.7-175.7171-137.600111.5L373 L374 V379 V380 Q381L373-E377 WeakPolarHBondContact O-CB 3.46Å; L373-E377 PolarHBondContact O-N 3.06Å; L374-E377 PolarHBondContact O-N 2.98Å; E377-V379 PolarHBondContact O-N 3.25Å; E377-V380 PolarHBondContact O-N 3.34Å; E377-Q381 VanDerWaalsContact O-CB 3.23Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 2.93Å
378E87.1Confident85.1Confident138 Ų13896.2 Ų96.265%0.64550%0.5SS*.Hα-helixtrans-63.5-40.4176.9-167.270.5-141.900111.8L374 Q381 K382L374-E378 PolarHBondContact O-N 2.89Å; E378-Q381 PolarHBondContact O-N 3.47Å; E378-K382 WeakPolarHBondContact O-CB 3.32Å; E378-K382 PolarHBondContact O-N 2.95Å
379V90Very high83.8Confident83 Ų8399 Ų9950%0.50350%0.503SS..Hα-helixtrans-65.7-44.2175.3167.30000111.7G375 L376 E377 K382 L383G375-V379 WeakPolarHBondContact O-CB 3.3Å; G375-V379 VanDerWaalsContact O-CG2 3.26Å; G375-V379 WeakPolarHBondContact O-CG2 3.42Å; G375-V379 PolarHBondContact O-N 3.47Å; G375-V379 VanDerWaalsContact O-N 3.12Å; L376-V379 PolarHBondContact O-N 2.81Å; E377-V379 PolarHBondContact O-N 3.25Å; V379-K382 PolarHBondContact O-N 3.39Å; V379-L383 HydrophobicContact CG1-CD1 4Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 VanDerWaalsContact O-CG 3.32Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 2.87Å
380V92.1Very high82.3Confident81 Ų8195.3 Ų95.349%0.49150%0.502SS..Hα-helixtrans-64.1-44.1176.1167.50000110.5L376 E377 K382 L383 L384L376-V380 WeakPolarHBondContact O-CB 2.89Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.33Å; L376-V380 PolarHBondContact O-N 2.85Å; E377-V380 PolarHBondContact O-N 3.34Å; V380-K382 VanDerWaalsContact C-N 3.29Å; V380-K382 PolarHBondContact O-N 3.3Å; V380-L383 PolarHBondContact O-N 2.83Å; V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.43Å; V380-L384 WeakPolarHBondContact O-CB 3.28Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.38Å; V380-L384 PolarHBondContact O-N 3.12Å
381Q87.8Confident81Confident113 Ų113100.6 Ų100.653%0.52853%0.533SS..Hα-helixtrans-61.9-37.2176.1-174.957.246.600111.7E377 E378 E385E377-Q381 VanDerWaalsContact O-CB 3.23Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 2.93Å; E378-Q381 PolarHBondContact O-N 3.47Å; Q381-E385 WeakPolarHBondContact O-CB 3.39Å; Q381-E385 PolarHBondContact O-N 2.72Å
382K84.9Confident79.7Confident74 Ų74102.8 Ų102.832%0.32255%0.545SS..Hα-helixtrans-69.7-42.3174.6-171.969.7-155.1172.30112.5E378 V379 V380 L384 E385 M386E378-K382 WeakPolarHBondContact O-CB 3.32Å; E378-K382 PolarHBondContact O-N 2.95Å; V379-K382 PolarHBondContact O-N 3.39Å; V380-K382 VanDerWaalsContact C-N 3.29Å; V380-K382 PolarHBondContact O-N 3.3Å; K382-L384 VanDerWaalsContact C-N 3.31Å; K382-L384 PolarHBondContact O-N 3.4Å; K382-E385 IonicContact NZ-OE2 3.21Å; K382-E385 PolarHBondContact NZ-OE2 3.38Å; K382-E385 PolarHBondContact O-N 3.49Å; K382-M386 HydrophobicContact CG-SD 4.4Å; K382-M386 WeakPolarHBondContact O-CG 3.32Å; K382-M386 PolarHBondContact O-N 3.14Å
383L88.4Confident78.2Confident84 Ų8497.3 Ų97.344%0.4454%0.536SS..Hα-helixtrans-63-37.6174.8-72.8169.6000111.5V379 V380 M386 H387V379-L383 HydrophobicContact CG1-CD1 4Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 VanDerWaalsContact O-CG 3.32Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 2.87Å; V380-L383 PolarHBondContact O-N 2.83Å; L383-M386 PolarHBondContact O-N 2.78Å; L383-H387 PolarHBondContact O-N 3.38Å; L383-H387 PolarHBondContact O-ND1 3.39Å
384L86.4Confident76.8Confident102 Ų10296.9 Ų96.953%0.53454%0.54SS..Hα-helixtrans-68.3-41.9172.7-71.5167.3000112.3V380 K382 M386 H387 G388V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.43Å; V380-L384 WeakPolarHBondContact O-CB 3.28Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.38Å; V380-L384 PolarHBondContact O-N 3.12Å; K382-L384 VanDerWaalsContact C-N 3.31Å; K382-L384 PolarHBondContact O-N 3.4Å; L384-M386 PolarHBondContact O-N 2.82Å; L384-H387 PolarHBondContact O-N 3.15Å; L384-G388 PolarHBondContact O-N 3.12Å
385E81.8Confident75.4Confident60 Ų6096.9 Ų96.928%0.2855%0.551SS.*Hα-helixtrans-60.7-32.8174.2-166.3-175.2-126.600111.6Q381 K382 K404Q381-E385 WeakPolarHBondContact O-CB 3.39Å; Q381-E385 PolarHBondContact O-N 2.72Å; K382-E385 IonicContact NZ-OE2 3.21Å; K382-E385 PolarHBondContact NZ-OE2 3.38Å; K382-E385 PolarHBondContact O-N 3.49Å; E385-K404 IonicContact OE1-NZ 2.62Å; E385-K404 PolarHBondContact OE1-NZ 2.57Å; E385-K404 IonicContact OE2-NZ 2.72Å
386M75.8Confident73.9Confident80 Ų8096.9 Ų96.939%0.39455%0.547SS..Hα-helixtrans-76.4-50.4174.4-70.2173.165.400112.8K382 L383 L384 G388 R389K382-M386 HydrophobicContact CG-SD 4.4Å; K382-M386 WeakPolarHBondContact O-CG 3.32Å; K382-M386 PolarHBondContact O-N 3.14Å; L383-M386 PolarHBondContact O-N 2.78Å; L384-M386 PolarHBondContact O-N 2.82Å; M386-G388 VanDerWaalsContact C-N 3.29Å; M386-G388 PolarHBondContact O-N 3.23Å; M386-R389 PolarHBondContact O-N 2.87Å; M386-R389 VanDerWaalsContact O-N 3.07Å
387H75.3Confident72Confident148 Ų14893 Ų9369%0.68553%0.529SS*.Hα-helixtrans-66.3-30.6-179.5-75.780.8000112.7L383 L384 R389L383-H387 PolarHBondContact O-N 3.38Å; L383-H387 PolarHBondContact O-ND1 3.39Å; L384-H387 PolarHBondContact O-N 3.15Å; H387-R389 PolarHBondContact O-N 3.12Å
388G66.3Low70.4Confident66 Ų6693.3 Ų93.368%0.6853%0.532SS*.THydrogen-bonded Turntrans-67.1-7.9172.800000114.8L384 M386L384-G388 PolarHBondContact O-N 3.12Å; M386-G388 VanDerWaalsContact C-N 3.29Å; M386-G388 PolarHBondContact O-N 3.23Å
389R59.4Low68.8Low152 Ų15290.5 Ų90.557%0.57453%0.532SS*.SBendtrans-115.465.5172.3-58.9-160.4-165.3-63.4-1110.1M386 H387 N391M386-R389 PolarHBondContact O-N 2.87Å; M386-R389 VanDerWaalsContact O-N 3.07Å; H387-R389 PolarHBondContact O-N 3.12Å; R389-N391 PolarHBondContact O-N 3.32Å
390G55.6Low66.9Low60 Ų6090.3 Ų90.362%0.61953%0.534SS*.THydrogen-bonded Turntrans-43.2124-166.100000116L392G390-L392 PolarHBondContact O-N 3.42Å
391N56.3Low65Low170 Ų17089 Ų8991%0.90953%0.529SS*.THydrogen-bonded Turntrans54.413.6167-153.349.9000118.3R389 G393R389-N391 PolarHBondContact O-N 3.32Å; N391-G393 PolarHBondContact O-N 2.92Å
392L56.4Low63.1Low124 Ų12489.7 Ų89.765%0.64954%0.536SS*.  trans-77108.1162.1-63.4-179.3000108G390 A396G390-L392 PolarHBondContact O-N 3.42Å; L392-A396 HydrophobicContact CB-CB 3.74Å
393G58.7Low61.4Low42 Ų4291.3 Ų91.343%0.43355%0.554SS.*  trans-59.2170.1-170.100000115N391 A395 A396N391-G393 PolarHBondContact O-N 2.92Å; G393-A395 PolarHBondContact O-N 3.27Å; G393-A396 PolarHBondContact O-N 2.91Å
394P58.8Low60.2Low103 Ų10395 Ų9567%0.66957%0.567SS**Hα-helixtrans-48.4-34-162-33.536.6000117A396 S397 M398P394-A396 PolarHBondContact O-N 3.45Å; P394-S397 WeakPolarHBondContact CA-OG 3.23Å; P394-S397 PolarHBondContact O-N 3.28Å; P394-S397 PolarHBondContact O-OG 3.09Å; P394-M398 PolarHBondContact O-N 3.13Å; P394-M398 VanDerWaalsContact O-N 3.13Å
395A55.8Low59.4Low77 Ų7796.6 Ų96.664%0.63658%0.576SS**Hα-helixtrans-58.4-41.6175.200000113.5G393 M398 A399G393-A395 PolarHBondContact O-N 3.27Å; A395-M398 PolarHBondContact O-N 3.45Å; A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.99Å
396A55.1Low59.4Low38 Ų3898.3 Ų98.331%0.31459%0.592SS.*Hα-helixtrans-73.1-34.6-179.100000112.2L392 G393 P394 M398 A399 S400L392-A396 HydrophobicContact CB-CB 3.74Å; G393-A396 PolarHBondContact O-N 2.91Å; P394-A396 PolarHBondContact O-N 3.45Å; A396-M398 VanDerWaalsContact C-N 3.32Å; A396-A399 PolarHBondContact O-N 2.95Å; A396-S400 WeakPolarHBondContact O-CB 3.25Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.37Å
397S52.5Low60Low26 Ų26100.6 Ų100.618%0.18260%0.597CS.*Hα-helixtrans-66.2-32.217245.60000112.8P394 S401P394-S397 WeakPolarHBondContact CA-OG 3.23Å; P394-S397 PolarHBondContact O-N 3.28Å; P394-S397 PolarHBondContact O-OG 3.09Å; S397-S401 WeakPolarHBondContact O-CB 3.27Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 VanDerWaalsContact O-N 3.1Å; S397-S401 PolarHBondContact O-OG 3.18Å
398M54.9Low60.9Low138 Ų13896.9 Ų96.968%0.6859%0.586SS**Hα-helixtrans-75.8-40.5173.5-66.8-157-6000112.3P394 A395 A396 S400 S401P394-M398 PolarHBondContact O-N 3.13Å; P394-M398 VanDerWaalsContact O-N 3.13Å; A395-M398 PolarHBondContact O-N 3.45Å; A396-M398 VanDerWaalsContact C-N 3.32Å; M398-S400 VanDerWaalsContact C-N 3.25Å; M398-S400 PolarHBondContact O-N 3.37Å; M398-S401 WeakPolarHBondContact CA-OG 3.46Å; M398-S401 CarbonylContact O-C 3.47Å; M398-S401 PolarHBondContact O-N 3.3Å; M398-S401 PolarHBondContact O-OG 2.62Å
399A53.2Low62.3Low79 Ų7993.8 Ų93.865%0.65355%0.553SS**Hα-helixtrans-66.6-23.9176.600000113.8A395 A396A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.99Å; A396-A399 PolarHBondContact O-N 2.95Å
400S49.9Very low64Low79 Ų7988.5 Ų88.555%0.55254%0.542SS*.Hα-helixtrans-97.4-9.7174.455.70000113.8A396 M398 N402A396-S400 WeakPolarHBondContact O-CB 3.25Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.37Å; M398-S400 VanDerWaalsContact C-N 3.25Å; M398-S400 PolarHBondContact O-N 3.37Å; S400-N402 VanDerWaalsContact C-N 3.32Å; S400-N402 PolarHBondContact O-N 2.89Å
401S50.9Low65.9Low53 Ų5391.4 Ų91.437%0.37154%0.54SS..  trans-9262.2161.469.90000111.2S397 M398S397-S401 WeakPolarHBondContact O-CB 3.27Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 VanDerWaalsContact O-N 3.1Å; S397-S401 PolarHBondContact O-OG 3.18Å; M398-S401 WeakPolarHBondContact CA-OG 3.46Å; M398-S401 CarbonylContact O-C 3.47Å; M398-S401 PolarHBondContact O-N 3.3Å; M398-S401 PolarHBondContact O-OG 2.62Å
402N48.2Very low67.7Low129 Ų12986.6 Ų86.669%0.6952%0.518SS*.  trans-49.2139.5152.5-91.4-5.6000108S400 K404S400-N402 VanDerWaalsContact C-N 3.32Å; S400-N402 PolarHBondContact O-N 2.89Å; N402-K404 PolarHBondContact O-N 2.77Å
403P50.2Low69.6Low107 Ų10787.6 Ų87.670%0.69552%0.517SS*.  trans-54.5122.7167.925.4-32.7000107.1D405P403-D405 PolarHBondContact O-N 3.13Å
404K61.9Low71.2Confident161 Ų16187.7 Ų87.770%0.751%0.51SS*.  trans-63.1107.6178.9-76.6157.2-178.5161.90106.1E385 N402E385-K404 IonicContact OE1-NZ 2.62Å; E385-K404 PolarHBondContact OE1-NZ 2.57Å; E385-K404 IonicContact OE2-NZ 2.72Å; N402-K404 PolarHBondContact O-N 2.77Å
405D69.4Low72.9Confident136 Ų13688.1 Ų88.173%0.72751%0.506SS*.  trans-46.2133.9-166.2-78.2-52.9000111.1P403 Y407P403-D405 PolarHBondContact O-N 3.13Å; D405-Y407 PolarHBondContact O-N 2.85Å
406P82.7Confident74.6Confident97 Ų9792 Ų9263%0.6351%0.509SS*.  trans-55.7114-173.722-32.7000109.7T408P406-T408 PolarHBondContact O-N 3.2Å; P406-T408 VanDerWaalsContact O-N 3.1Å; P406-T408 PolarHBondContact O-OG1 3.37Å; P406-T408 VanDerWaalsContact O-OG1 3.1Å
407Y88.3Confident76.4Confident127 Ų12791.4 Ų91.450%0.49850%0.502SS..  trans-50.9122.5-173.8-74.8-59.3000109.9D405 W420 I428D405-Y407 PolarHBondContact O-N 2.85Å; Y407-W420 HydrophobicContact CD2-CB 4.27Å; Y407-W420 AromaticContact CD2-CD1 3.69Å; Y407-W420 AromaticContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CG-CD2 4.35Å; Y407-W420 HydrophobicContact CG-CG 4.07Å; Y407-W420 WeakPolarHBondContact O-CH2 3.25Å; Y407-W420 WeakPolarHBondContact O-CZ2 3.33Å; Y407-I428 HydrophobicContact CD1-CD1 4.38Å; Y407-I428 HydrophobicContact CD1-CG1 4.09Å; Y407-I428 HydrophobicContact CD1-CG2 4.06Å; Y407-I428 HydrophobicContact CE1-CD1 4.25Å; Y407-I428 HydrophobicContact CE1-CG1 4.32Å; Y407-I428 HydrophobicContact CG-CG2 4.32Å
408T94.3Very high78Confident71 Ų7195.4 Ų95.444%0.43653%0.529SS..  trans-113.6129.3-179.5-62.80000108.9P406 A410 K413 T414P406-T408 PolarHBondContact O-N 3.2Å; P406-T408 VanDerWaalsContact O-N 3.1Å; P406-T408 PolarHBondContact O-OG1 3.37Å; P406-T408 VanDerWaalsContact O-OG1 3.1Å; T408-A410 PolarHBondContact O-N 3.31Å; T408-K413 HydrophobicContact CG2-CB 4.43Å; T408-T414 CarbonylContact C-O 3.58Å; T408-T414 WeakPolarHBondContact CA-O 3.48Å
409C95.3Very high79.4Confident0 Ų094.4 Ų94.40%052%0.518CS..  trans-62.8119.4-179.5-1790000110.5Q411 K413 T414 W420 C430 C433C409-Q411 PolarHBondContact O-N 3.31Å; C409-K413 VanDerWaalsContact O-CA 3.24Å; C409-K413 WeakPolarHBondContact O-CA 3.2Å; C409-K413 PolarHBondContact O-N 3.29Å; C409-T414 HydrophobicContact CB-CG2 3.84Å; C409-T414 PolarHBondContact N-O 3.1Å; C409-W420 HydrophobicContact CB-CH2 3.93Å; C409-W420 HydrophobicContact CB-CZ3 3.76Å; C409-C430 HydrophobicContact CB-CB 4Å; C409-C430 PolarHBondContact SG-N 3.27Å; C409-C430 VanDerWaalsContact SG-N 3.38Å; C409-C433 VanDerWaalsContact SG-SG 3.66Å
410A95.2Very high81.2Confident41 Ų4193.7 Ų93.734%0.33950%0.499SS..THydrogen-bonded Turntrans-56.5-31.2-177.700000113.4T408 K413 T427 I428 L429T408-A410 PolarHBondContact O-N 3.31Å; A410-K413 PolarHBondContact O-NZ 2.91Å; A410-T427 HydrophobicContact CB-CG2 3.4Å; A410-I428 WeakPolarHBondContact CB-O 3.48Å; A410-I428 PolarHBondContact N-O 3.23Å; A410-L429 HydrophobicContact CB-CD2 4.14Å
411Q95Very high83.1Confident122 Ų12292.4 Ų92.457%0.5748%0.482SS*.THydrogen-bonded Turntrans-84.8-60.2-176.9-70.9-79.5-22.700113.4C409 L429 C433C409-Q411 PolarHBondContact O-N 3.31Å; Q411-L429 HydrophobicContact CB-CD2 4.01Å; Q411-L429 HydrophobicContact CG-CD2 3.42Å; Q411-L429 VanDerWaalsContact CG-CD2 3.42Å; Q411-C433 HydrophobicContact CB-CB 4.31Å
412C95.5Very high85Confident68 Ų6897.3 Ų97.346%0.45950%0.496SS..THydrogen-bonded Turntrans-99.9-0-174.367.10000115.1T414C412-T414 PolarHBondContact O-N 2.98Å; C412-T414 VanDerWaalsContact O-N 3.07Å; C412-T414 VanDerWaalsContact SG-CG2 3.56Å
413K94.9Very high87Confident145 Ų14595.3 Ų95.363%0.6348%0.483SS*.  trans57.216.1-179.3-48.9-52.8-171.2-167.30116.1T408 C409 A410T408-K413 HydrophobicContact CG2-CB 4.43Å; C409-K413 VanDerWaalsContact O-CA 3.24Å; C409-K413 WeakPolarHBondContact O-CA 3.2Å; C409-K413 PolarHBondContact O-N 3.29Å; A410-K413 PolarHBondContact O-NZ 2.91Å
414T94.2Very high88.5Confident44 Ų44100.8 Ų100.827%0.2750%0.496SS..  trans-65.1138.9166.2-163.80000110.2T408 C409 C412 F416 W420 C430T408-T414 CarbonylContact C-O 3.58Å; T408-T414 WeakPolarHBondContact CA-O 3.48Å; C409-T414 HydrophobicContact CB-CG2 3.84Å; C409-T414 PolarHBondContact N-O 3.1Å; C412-T414 PolarHBondContact O-N 2.98Å; C412-T414 VanDerWaalsContact O-N 3.07Å; C412-T414 VanDerWaalsContact SG-CG2 3.56Å; T414-F416 VanDerWaalsContact CG2-O 3.32Å; T414-F416 WeakPolarHBondContact CG2-O 3.26Å; T414-F416 PolarHBondContact OG1-N 3.5Å; T414-F416 PolarHBondContact OG1-O 3.16Å; T414-F416 VanDerWaalsContact OG1-O 3.12Å; T414-W420 HydrophobicContact CG2-CH2 4.18Å; T414-W420 WeakPolarHBondContact O-CH2 3.48Å; T414-C430 HydrophobicContact CG2-CB 3.86Å
415D93.9Very high89.7Confident113 Ų11397.1 Ų97.160%0.60450%0.496SS*.SBendtrans-90.5-14.5171.258.8-22.7000112.5W420D415-W420 WeakPolarHBondContact O-CZ2 3.42Å
416F91.7Very high90.5Very high159 Ų15992.2 Ų92.270%0.69748%0.477SS*.  trans-114.7135.6-179.9-179.9-101.6000113.1T414T414-F416 VanDerWaalsContact CG2-O 3.32Å; T414-F416 WeakPolarHBondContact CG2-O 3.26Å; T414-F416 PolarHBondContact OG1-N 3.5Å; T414-F416 PolarHBondContact OG1-O 3.16Å; T414-F416 VanDerWaalsContact OG1-O 3.12Å
417T91.9Very high91Very high25 Ų2589.8 Ų89.815%0.15346%0.46CS..  trans-162.3160.3166.1-163.10000110.3R419 W420 C430 D431T417-R419 WeakPolarHBondContact CG2-O 3.48Å; T417-W420 HydrophobicContact CG2-CD2 3.45Å; T417-W420 VanDerWaalsContact CG2-CD2 3.45Å; T417-W420 HydrophobicContact CG2-CE3 3.78Å; T417-W420 HydrophobicContact CG2-CG 3.92Å; T417-W420 HydrophobicContact CG2-CH2 3.89Å; T417-W420 HydrophobicContact CG2-CZ2 3.55Å; T417-W420 HydrophobicContact CG2-CZ3 4.01Å; T417-C430 HydrophobicContact CG2-CB 3.93Å; T417-C430 WeakPolarHBondContact OG1-CB 3.43Å; T417-D431 PolarHBondContact OG1-N 3.06Å
418S86.4Confident91.2Very high109 Ų10985.5 Ų85.576%0.76245%0.446SS*.SBendtrans-69-30.2176.950.60000113.7
419R84.7Confident91.3Very high118 Ų11882.1 Ų82.145%0.44543%0.425SS..  trans-150118.9176.4-165.4173.8-173.8-144.20.3112.3E358 N360 T417E358-R419 IonicContact OE2-NH1 2.65Å; E358-R419 PolarHBondContact OE2-NH1 3.4Å; E358-R419 VanDerWaalsContact OE2-NH1 3.11Å; N360-R419 WeakPolarHBondContact OD1-CD 3.41Å; N360-R419 VanDerWaalsContact OD1-CZ 3.23Å; N360-R419 PolarHBondContact OD1-NE 3.44Å; N360-R419 PolarHBondContact OD1-NH1 3.28Å; T417-R419 WeakPolarHBondContact CG2-O 3.48Å
420W91.7Very high91.2Very high64 Ų6482.3 Ų82.324%0.24243%0.426CS..EExtended strand (participates in β ladder)trans-75.2138.1171.2-72.4112000111.1Y407 C409 T414 D415 T417 I428 C430Y407-W420 HydrophobicContact CD2-CB 4.27Å; Y407-W420 AromaticContact CD2-CD1 3.69Å; Y407-W420 AromaticContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CG-CD2 4.35Å; Y407-W420 HydrophobicContact CG-CG 4.07Å; Y407-W420 WeakPolarHBondContact O-CH2 3.25Å; Y407-W420 WeakPolarHBondContact O-CZ2 3.33Å; C409-W420 HydrophobicContact CB-CH2 3.93Å; C409-W420 HydrophobicContact CB-CZ3 3.76Å; T414-W420 HydrophobicContact CG2-CH2 4.18Å; T414-W420 WeakPolarHBondContact O-CH2 3.48Å; D415-W420 WeakPolarHBondContact O-CZ2 3.42Å; T417-W420 HydrophobicContact CG2-CD2 3.45Å; T417-W420 VanDerWaalsContact CG2-CD2 3.45Å; T417-W420 HydrophobicContact CG2-CE3 3.78Å; T417-W420 HydrophobicContact CG2-CG 3.92Å; T417-W420 HydrophobicContact CG2-CH2 3.89Å; T417-W420 HydrophobicContact CG2-CZ2 3.55Å; T417-W420 HydrophobicContact CG2-CZ3 4.01Å; W420-I428 HydrophobicContact CD2-CG2 4.14Å; W420-I428 HydrophobicContact CE3-CG2 3.44Å; W420-I428 VanDerWaalsContact CE3-CG2 3.44Å; W420-I428 HydrophobicContact CZ3-CG2 4.03Å; W420-C430 HydrophobicContact CE3-CB 4.47Å; W420-C430 HydrophobicContact CH2-CB 3.97Å; W420-C430 HydrophobicContact CZ3-CB 3.73Å
421R89.6Confident91.1Very high51 Ų5182.3 Ų82.319%0.19242%0.421CS..EExtended strand (participates in β ladder)trans-128.5143.3175.3-50.9-160-165.1-142.8-2.8111.4E358 I428 L429 D431 M434E358-R421 IonicContact OE1-CZ 3.29Å; E358-R421 IonicContact OE1-NH1 2.82Å; E358-R421 PolarHBondContact OE1-NH1 2.76Å; E358-R421 IonicContact OE1-NH2 2.75Å; E358-R421 IonicContact OE2-CZ 2.68Å; E358-R421 IonicContact OE2-NH1 3.27Å; E358-R421 PolarHBondContact OE2-NH1 3.39Å; E358-R421 IonicContact OE2-NH2 3.03Å; E358-R421 PolarHBondContact OE2-NH2 3.04Å; R421-I428 WeakPolarHBondContact O-CA 3.32Å; R421-L429 PolarHBondContact N-O 3.34Å; R421-L429 PolarHBondContact O-N 2.9Å; R421-D431 IonicContact CZ-OD1 2.69Å; R421-D431 VanDerWaalsContact CZ-OD1 3.29Å; R421-D431 IonicContact NE-OD1 2.66Å; R421-D431 PolarHBondContact NE-OD1 2.85Å; R421-D431 IonicContact NH2-OD1 2.65Å; R421-D431 PolarHBondContact NH2-OD1 3.44Å; R421-M434 HydrophobicContact CB-CG 3.87Å; R421-M434 HydrophobicContact CB-SD 3.99Å; R421-M434 HydrophobicContact CG-CG 4.01Å
422K90.7Very high91.1Very high156 Ų15683.2 Ų83.268%0.67843%0.425SS*.EExtended strand (participates in β ladder)trans-104119.9174.1-165.1165.4-174.9172.20109.5G426 T427 I428K422-G426 VanDerWaalsContact CE-O 3.29Å; K422-G426 WeakPolarHBondContact CE-O 3.42Å; K422-G426 WeakPolarHBondContact CG-O 3.44Å; K422-T427 WeakPolarHBondContact CA-O 3.4Å; K422-I428 HydrophobicContact CB-CD1 3.78Å; K422-I428 HydrophobicContact CD-CD1 4.07Å; K422-I428 HydrophobicContact CG-CD1 3.84Å
423E88.7Confident91Very high88 Ų8880.9 Ų80.941%0.41141%0.409SS..  trans-73.3162.8172.9-173.1162.6-140.500110.7A425 G426 T427E423-A425 PolarHBondContact O-N 3.04Å; E423-A425 VanDerWaalsContact O-N 3.1Å; E423-G426 WeakPolarHBondContact O-CA 3.32Å; E423-G426 PolarHBondContact O-N 3.15Å; E423-T427 PolarHBondContact N-O 3.33Å
424K82.8Confident90.9Very high222 Ų22276.2 Ų76.297%0.96539%0.39SS*.THydrogen-bonded Turntrans-55.7-28.1178.3-64.1-176.6179.1-177.40113.5G426K424-G426 PolarHBondContact O-N 2.68Å
425A86.1Confident90.8Very high84 Ų8476.3 Ų76.369%0.69439%0.393SS*.THydrogen-bonded Turntrans-78.23.1174.900000114.1E423 T427E423-A425 PolarHBondContact O-N 3.04Å; E423-A425 VanDerWaalsContact O-N 3.1Å; A425-T427 VanDerWaalsContact C-N 3.26Å; A425-T427 PolarHBondContact O-N 3.03Å
426G87Confident90.7Very high33 Ų3373.2 Ų73.234%0.3438%0.38SS..SBendtrans85.4-13.3-176.300000114.8K422 E423 K424 I428K422-G426 VanDerWaalsContact CE-O 3.29Å; K422-G426 WeakPolarHBondContact CE-O 3.42Å; K422-G426 WeakPolarHBondContact CG-O 3.44Å; E423-G426 WeakPolarHBondContact O-CA 3.32Å; E423-G426 PolarHBondContact O-N 3.15Å; K424-G426 PolarHBondContact O-N 2.68Å; G426-I428 PolarHBondContact O-N 2.98Å
427T92.3Very high90.7Very high45 Ų4567.6 Ų67.628%0.27636%0.357SS..  trans-55.9128.7178.4-44.30000112.5A410 K422 E423 A425 L429A410-T427 HydrophobicContact CB-CG2 3.4Å; K422-T427 WeakPolarHBondContact CA-O 3.4Å; E423-T427 PolarHBondContact N-O 3.33Å; A425-T427 VanDerWaalsContact C-N 3.26Å; A425-T427 PolarHBondContact O-N 3.03Å; T427-L429 HydrophobicContact CG2-CD2 4Å; T427-L429 HydrophobicContact CG2-CG 4.15Å
428I93.6Very high90.6Very high37 Ų3771 Ų7119%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-89.3128.1171.5-59.6-64.2000110.2Y407 A410 W420 R421 K422 G426Y407-I428 HydrophobicContact CD1-CD1 4.38Å; Y407-I428 HydrophobicContact CD1-CG1 4.09Å; Y407-I428 HydrophobicContact CD1-CG2 4.06Å; Y407-I428 HydrophobicContact CE1-CD1 4.25Å; Y407-I428 HydrophobicContact CE1-CG1 4.32Å; Y407-I428 HydrophobicContact CG-CG2 4.32Å; A410-I428 WeakPolarHBondContact CB-O 3.48Å; A410-I428 PolarHBondContact N-O 3.23Å; W420-I428 HydrophobicContact CD2-CG2 4.14Å; W420-I428 HydrophobicContact CE3-CG2 3.44Å; W420-I428 VanDerWaalsContact CE3-CG2 3.44Å; W420-I428 HydrophobicContact CZ3-CG2 4.03Å; R421-I428 WeakPolarHBondContact O-CA 3.32Å; K422-I428 HydrophobicContact CB-CD1 3.78Å; K422-I428 HydrophobicContact CD-CD1 4.07Å; K422-I428 HydrophobicContact CG-CD1 3.84Å; G426-I428 PolarHBondContact O-N 2.98Å
429L95.3Very high90.8Very high1 Ų172.6 Ų72.61%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-131.2144.7-179.3-63.5179000111A410 Q411 R421 T427 C433 M434A410-L429 HydrophobicContact CB-CD2 4.14Å; Q411-L429 HydrophobicContact CB-CD2 4.01Å; Q411-L429 HydrophobicContact CG-CD2 3.42Å; Q411-L429 VanDerWaalsContact CG-CD2 3.42Å; R421-L429 PolarHBondContact N-O 3.34Å; R421-L429 PolarHBondContact O-N 2.9Å; T427-L429 HydrophobicContact CG2-CD2 4Å; T427-L429 HydrophobicContact CG2-CG 4.15Å; L429-C433 HydrophobicContact CB-CB 4.5Å; L429-M434 HydrophobicContact CB-CG 3.75Å; L429-M434 HydrophobicContact CB-SD 3.79Å; L429-M434 HydrophobicContact CD1-SD 3.72Å; L429-M434 HydrophobicContact CG-SD 4.31Å
430C94.6Very high91.1Very high4 Ų472.8 Ų72.83%0.02737%0.368CS..EExtended strand (participates in β ladder)trans-75.8157.6170.568.80000111C409 T414 T417 W420 Q432 C433 M434C409-C430 HydrophobicContact CB-CB 4Å; C409-C430 PolarHBondContact SG-N 3.27Å; C409-C430 VanDerWaalsContact SG-N 3.38Å; T414-C430 HydrophobicContact CG2-CB 3.86Å; T417-C430 HydrophobicContact CG2-CB 3.93Å; T417-C430 WeakPolarHBondContact OG1-CB 3.43Å; W420-C430 HydrophobicContact CE3-CB 4.47Å; W420-C430 HydrophobicContact CH2-CB 3.97Å; W420-C430 HydrophobicContact CZ3-CB 3.73Å; C430-Q432 PolarHBondContact O-N 3.44Å; C430-C433 PolarHBondContact O-N 2.93Å; C430-C433 VanDerWaalsContact SG-SG 3.65Å; C430-M434 PolarHBondContact O-N 3.11Å
431D92.8Very high91.1Very high41 Ų4172.5 Ų72.522%0.21938%0.38CS..Hα-helixtrans-60.3-34.1-173.8-165.775000113.2T417 R421 M434 S435T417-D431 PolarHBondContact OG1-N 3.06Å; R421-D431 IonicContact CZ-OD1 2.69Å; R421-D431 VanDerWaalsContact CZ-OD1 3.29Å; R421-D431 IonicContact NE-OD1 2.66Å; R421-D431 PolarHBondContact NE-OD1 2.85Å; R421-D431 IonicContact NH2-OD1 2.65Å; R421-D431 PolarHBondContact NH2-OD1 3.44Å; D431-M434 PolarHBondContact O-N 2.93Å; D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.28Å; D431-S435 PolarHBondContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 3.03Å
432Q93.9Very high91Very high141 Ų14172.6 Ų72.666%0.65938%0.384SS*.Hα-helixtrans-66.7-38174.7-17758.697.100112.7C430 S436C430-Q432 PolarHBondContact O-N 3.44Å; Q432-S436 WeakPolarHBondContact O-CB 3.42Å; Q432-S436 PolarHBondContact O-N 3.47Å
433C94.7Very high90.9Very high19 Ų1971.9 Ų71.913%0.12838%0.381CS..Hα-helixtrans-72.7-39.2175-79.50000111.9C409 Q411 L429 C430 S436 N437C409-C433 VanDerWaalsContact SG-SG 3.66Å; Q411-C433 HydrophobicContact CB-CB 4.31Å; L429-C433 HydrophobicContact CB-CB 4.5Å; C430-C433 PolarHBondContact O-N 2.93Å; C430-C433 VanDerWaalsContact SG-SG 3.65Å; C433-S436 PolarHBondContact O-N 2.69Å; C433-N437 WeakPolarHBondContact O-CB 3.5Å; C433-N437 PolarHBondContact O-N 3.27Å
434M92.8Very high91.1Very high46 Ų4670.5 Ų70.523%0.22739%0.385CS..Hα-helixtrans-56.7-54.4171.8-74.6-68.5-46.300111.3R421 L429 C430 D431 S436 N437 Q438R421-M434 HydrophobicContact CB-CG 3.87Å; R421-M434 HydrophobicContact CB-SD 3.99Å; R421-M434 HydrophobicContact CG-CG 4.01Å; L429-M434 HydrophobicContact CB-CG 3.75Å; L429-M434 HydrophobicContact CB-SD 3.79Å; L429-M434 HydrophobicContact CD1-SD 3.72Å; L429-M434 HydrophobicContact CG-SD 4.31Å; C430-M434 PolarHBondContact O-N 3.11Å; D431-M434 PolarHBondContact O-N 2.93Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 3.36Å; M434-N437 PolarHBondContact O-N 2.9Å; M434-Q438 WeakPolarHBondContact O-CB 3.49Å; M434-Q438 PolarHBondContact O-N 2.78Å
435S90.9Very high91.4Very high47 Ų4763.7 Ų63.733%0.32936%0.356SS..Hα-helixtrans-61.2-38.3178.5-66.70000112.4D431 K439D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.28Å; D431-S435 PolarHBondContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 3.03Å; S435-K439 VanDerWaalsContact O-CB 3.23Å; S435-K439 WeakPolarHBondContact O-CB 3.35Å; S435-K439 PolarHBondContact O-N 2.65Å
436S92.3Very high91.4Very high47 Ų4762.2 Ų62.233%0.32934%0.335SS..Hα-helixtrans-65.3-45.4174.9-172.80000111.8Q432 C433 M434 K439 K440Q432-S436 WeakPolarHBondContact O-CB 3.42Å; Q432-S436 PolarHBondContact O-N 3.47Å; C433-S436 PolarHBondContact O-N 2.69Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 3.36Å; S436-K439 PolarHBondContact O-N 3.17Å; S436-K440 VanDerWaalsContact O-CG 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.44Å
437N92.3Very high91.6Very high41 Ų4163.9 Ų63.922%0.21934%0.339CS..Hα-helixtrans-68.4-40.2178.9-75.2-1.8000112.1C433 M434 K439 K440 A441C433-N437 WeakPolarHBondContact O-CB 3.5Å; C433-N437 PolarHBondContact O-N 3.27Å; M434-N437 PolarHBondContact O-N 2.9Å; N437-K439 PolarHBondContact O-N 3.41Å; N437-K440 PolarHBondContact O-N 3.27Å; N437-K440 PolarHBondContact OD1-NZ 2.9Å; N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 3.43Å
438Q89.9Confident91.6Very high97 Ų9767 Ų6745%0.45335%0.353SS..Hα-helixtrans-62.1-43173.2-167.7-179.236.300111.5M434 K440 A441 L442M434-Q438 WeakPolarHBondContact O-CB 3.49Å; M434-Q438 PolarHBondContact O-N 2.78Å; Q438-K440 PolarHBondContact O-N 3.04Å; Q438-A441 PolarHBondContact O-N 3.25Å; Q438-L442 HydrophobicContact CG-CD1 4.3Å; Q438-L442 WeakPolarHBondContact O-CG 3.38Å; Q438-L442 PolarHBondContact O-N 2.84Å
439K89.9Confident91.4Very high143 Ų14370.4 Ų70.462%0.62236%0.364SS*.Hα-helixtrans-64.7-36.7175.5-171.7172-174.3171.90112.6S435 S436 N437 K443S435-K439 VanDerWaalsContact O-CB 3.23Å; S435-K439 WeakPolarHBondContact O-CB 3.35Å; S435-K439 PolarHBondContact O-N 2.65Å; S436-K439 PolarHBondContact O-N 3.17Å; N437-K439 PolarHBondContact O-N 3.41Å; K439-K443 WeakPolarHBondContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CG 3.42Å; K439-K443 PolarHBondContact O-N 3.31Å; K439-K443 VanDerWaalsContact O-N 3.14Å
440K92.3Very high91Very high121 Ų12172.9 Ų72.953%0.52638%0.377SS..Hα-helixtrans-65.7-46.1171.8-71.5167.7-169.4170.20111.3S436 N437 Q438 K443 A444S436-K440 VanDerWaalsContact O-CG 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.44Å; N437-K440 PolarHBondContact O-N 3.27Å; N437-K440 PolarHBondContact OD1-NZ 2.9Å; Q438-K440 PolarHBondContact O-N 3.04Å; K440-K443 PolarHBondContact O-N 2.72Å; K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 2.92Å
441A90.4Very high90.8Very high58 Ų5879.4 Ų79.448%0.47941%0.405SS..Hα-helixtrans-60.6-50179.400000111.7N437 Q438 K443 A444 E445N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 3.43Å; Q438-A441 PolarHBondContact O-N 3.25Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 2.99Å; A441-A444 PolarHBondContact O-N 3.47Å; A441-E445 VanDerWaalsContact O-CB 3.27Å; A441-E445 WeakPolarHBondContact O-CB 3.37Å; A441-E445 PolarHBondContact O-N 2.82Å
442L87.4Confident90.7Very high54 Ų5479.4 Ų79.428%0.28341%0.411SS..Hα-helixtrans-62.2-37.4177.1-69.3171.3000112.7P352 P355 Q438 H446P352-L442 HydrophobicContact CB-CB 4.48Å; P355-L442 HydrophobicContact CG-CD1 4.46Å; Q438-L442 HydrophobicContact CG-CD1 4.3Å; Q438-L442 WeakPolarHBondContact O-CG 3.38Å; Q438-L442 PolarHBondContact O-N 2.84Å; L442-H446 WeakPolarHBondContact O-CB 3.41Å; L442-H446 PolarHBondContact O-N 3.08Å
443K89.6Confident90.3Very high140 Ų14073.5 Ų73.561%0.60939%0.386SS*.Hα-helixtrans-64.7-46.6172.5-81.7-172.7169.5-159.30112.1K439 K440 A441 E445 H446 T447K439-K443 WeakPolarHBondContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CG 3.42Å; K439-K443 PolarHBondContact O-N 3.31Å; K439-K443 VanDerWaalsContact O-N 3.14Å; K440-K443 PolarHBondContact O-N 2.72Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 2.99Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.49Å; K443-H446 PolarHBondContact O-N 3.19Å; K443-T447 WeakPolarHBondContact O-CB 3.41Å; K443-T447 PolarHBondContact O-N 3.35Å; K443-T447 PolarHBondContact O-OG1 2.89Å
444A91.6Very high89.9Confident60 Ų6078.1 Ų78.150%0.49640%0.404SS..Hα-helixtrans-64.2-38.7179.100000111.9K440 A441 T447 N448K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 2.92Å; A441-A444 PolarHBondContact O-N 3.47Å; A444-T447 PolarHBondContact O-N 3.41Å; A444-N448 VanDerWaalsContact O-CB 3.29Å; A444-N448 WeakPolarHBondContact O-CB 3.44Å; A444-N448 PolarHBondContact O-N 3.26Å
445E89.3Confident89.8Confident79 Ų7980.8 Ų80.837%0.36942%0.423SS..Hα-helixtrans-65-48.3177-164.7-88.7154.700111.3A441 K443 N448 R449A441-E445 VanDerWaalsContact O-CB 3.27Å; A441-E445 WeakPolarHBondContact O-CB 3.37Å; A441-E445 PolarHBondContact O-N 2.82Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.49Å; E445-N448 WeakPolarHBondContact O-CB 3.26Å; E445-N448 PolarHBondContact O-N 2.61Å; E445-R449 WeakPolarHBondContact O-CG 3.15Å; E445-R449 PolarHBondContact O-N 2.91Å; E445-R449 IonicContact OE1-CZ 2.87Å; E445-R449 IonicContact OE1-NE 3.01Å; E445-R449 PolarHBondContact OE1-NE 2.96Å; E445-R449 IonicContact OE1-NH2 3.34Å; E445-R449 PolarHBondContact OE1-NH2 3.48Å; E445-R449 IonicContact OE2-CZ 3.14Å; E445-R449 IonicContact OE2-NE 2.77Å; E445-R449 PolarHBondContact OE2-NE 3.15Å; E445-R449 IonicContact OE2-NH2 3.19Å; E445-R449 PolarHBondContact OE2-NH2 3.15Å
446H86.4Confident89.6Confident52 Ų5286 Ų8624%0.24144%0.44CS..Hα-helixtrans-60.6-45.3172178.175.3000112.4P352 L442 K443 N448 R449 L450P352-H446 HydrophobicContact CG-CB 4.29Å; L442-H446 WeakPolarHBondContact O-CB 3.41Å; L442-H446 PolarHBondContact O-N 3.08Å; K443-H446 PolarHBondContact O-N 3.19Å; H446-N448 VanDerWaalsContact C-N 3.28Å; H446-N448 PolarHBondContact O-N 3.15Å; H446-R449 WeakPolarHBondContact O-CB 3.36Å; H446-R449 PolarHBondContact O-N 3.28Å; H446-L450 VanDerWaalsContact O-CD1 3.23Å; H446-L450 WeakPolarHBondContact O-CD1 3.38Å; H446-L450 PolarHBondContact O-N 3.44Å
447T90.5Very high89.2Confident69 Ų6984.3 Ų84.342%0.42343%0.428SS..Hα-helixtrans-62.7-33.1175.1-61.10000112.5K443 A444 K451K443-T447 WeakPolarHBondContact O-CB 3.41Å; K443-T447 PolarHBondContact O-N 3.35Å; K443-T447 PolarHBondContact O-OG1 2.89Å; A444-T447 PolarHBondContact O-N 3.41Å; T447-K451 HydrophobicContact CG2-CD 4.43Å; T447-K451 WeakPolarHBondContact O-CG 3.41Å; T447-K451 PolarHBondContact O-N 3.27Å
448N93.1Very high88.9Confident109 Ų10987.2 Ų87.258%0.58344%0.443SS*.Hα-helixtrans-67.2-45173.9-170.7-67000110.9A444 E445 H446 L450 K451 A452A444-N448 VanDerWaalsContact O-CB 3.29Å; A444-N448 WeakPolarHBondContact O-CB 3.44Å; A444-N448 PolarHBondContact O-N 3.26Å; E445-N448 WeakPolarHBondContact O-CB 3.26Å; E445-N448 PolarHBondContact O-N 2.61Å; H446-N448 VanDerWaalsContact C-N 3.28Å; H446-N448 PolarHBondContact O-N 3.15Å; N448-L450 VanDerWaalsContact C-N 3.34Å; N448-L450 PolarHBondContact O-N 3.23Å; N448-K451 PolarHBondContact O-N 3.38Å; N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 3.13Å
449R89.3Confident88.9Confident109 Ų10988 Ų8841%0.41145%0.447SS..Hα-helixtrans-55.4-46.1173.1-66.3-179.1-171.1-163.24.4112.2I349 E445 H446 A452 A453I349-R449 HydrophobicContact CG2-CB 4.3Å; E445-R449 WeakPolarHBondContact O-CG 3.15Å; E445-R449 PolarHBondContact O-N 2.91Å; E445-R449 IonicContact OE1-CZ 2.87Å; E445-R449 IonicContact OE1-NE 3.01Å; E445-R449 PolarHBondContact OE1-NE 2.96Å; E445-R449 IonicContact OE1-NH2 3.34Å; E445-R449 PolarHBondContact OE1-NH2 3.48Å; E445-R449 IonicContact OE2-CZ 3.14Å; E445-R449 IonicContact OE2-NE 2.77Å; E445-R449 PolarHBondContact OE2-NE 3.15Å; E445-R449 IonicContact OE2-NH2 3.19Å; E445-R449 PolarHBondContact OE2-NH2 3.15Å; H446-R449 WeakPolarHBondContact O-CB 3.36Å; H446-R449 PolarHBondContact O-N 3.28Å; R449-A452 PolarHBondContact O-N 3.05Å; R449-A453 PolarHBondContact O-N 2.94Å
450L87.3Confident88.6Confident54 Ų5484.5 Ų84.528%0.28343%0.433SS..Hα-helixtrans-60.5-49.5175.9-90.773.3000111.3L346 I349 H446 N448 A452 A453 F454L346-L450 HydrophobicContact CD2-CG 4.43Å; I349-L450 HydrophobicContact CD1-CD1 3.65Å; I349-L450 HydrophobicContact CD1-CG 3.97Å; I349-L450 HydrophobicContact CG2-CD1 4.14Å; H446-L450 VanDerWaalsContact O-CD1 3.23Å; H446-L450 WeakPolarHBondContact O-CD1 3.38Å; H446-L450 PolarHBondContact O-N 3.44Å; N448-L450 VanDerWaalsContact C-N 3.34Å; N448-L450 PolarHBondContact O-N 3.23Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 3.38Å; L450-A453 WeakPolarHBondContact O-CB 3.34Å; L450-A453 PolarHBondContact O-N 3.43Å; L450-F454 WeakPolarHBondContact O-CD2 3.35Å; L450-F454 PolarHBondContact O-N 2.85Å
451K90.2Very high88.1Confident140 Ų14080.5 Ų80.561%0.60942%0.416SS*.Hα-helixtrans-59.3-41.6177.3-74.7179.7176.7-171.50112.2T447 N448 A453 F454 V455T447-K451 HydrophobicContact CG2-CD 4.43Å; T447-K451 WeakPolarHBondContact O-CG 3.41Å; T447-K451 PolarHBondContact O-N 3.27Å; N448-K451 PolarHBondContact O-N 3.38Å; K451-A453 VanDerWaalsContact C-N 3.35Å; K451-A453 PolarHBondContact O-N 2.95Å; K451-F454 PolarHBondContact O-N 3.12Å; K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.83Å
452A89.8Confident88Confident42 Ų4282.8 Ų82.835%0.34742%0.417SS..Hα-helixtrans-65.1-36.8176.900000112.3N448 R449 L450 K456N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 3.13Å; R449-A452 PolarHBondContact O-N 3.05Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 3.38Å; A452-K456 WeakPolarHBondContact O-CB 3.46Å; A452-K456 WeakPolarHBondContact O-CG 3.44Å; A452-K456 PolarHBondContact O-N 3.37Å
453A86.1Confident88Confident17 Ų1784.1 Ų84.114%0.1442%0.421CS..Hα-helixtrans-64.1-46.2171.700000111.5L346 I349 R449 L450 K451 V455 K456 A457L346-A453 HydrophobicContact CD2-CB 4.24Å; I349-A453 HydrophobicContact CD1-CB 4.24Å; R449-A453 PolarHBondContact O-N 2.94Å; L450-A453 WeakPolarHBondContact O-CB 3.34Å; L450-A453 PolarHBondContact O-N 3.43Å; K451-A453 VanDerWaalsContact C-N 3.35Å; K451-A453 PolarHBondContact O-N 2.95Å; A453-V455 PolarHBondContact O-N 3.42Å; A453-K456 PolarHBondContact O-N 3.18Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3Å
454F86.3Confident87.7Confident116 Ų11679.5 Ų79.551%0.50940%0.403SS..Hα-helixtrans-65.4-33.5176.4-75.4-64.9000114L346 L450 K451 A457 L458L346-F454 HydrophobicContact CD1-CD1 4.49Å; L346-F454 HydrophobicContact CD1-CE1 3.64Å; L346-F454 HydrophobicContact CD1-CE2 4.44Å; L346-F454 HydrophobicContact CD1-CZ 3.61Å; L346-F454 HydrophobicContact CD2-CD2 4.33Å; L346-F454 HydrophobicContact CD2-CE1 4.34Å; L346-F454 HydrophobicContact CD2-CE2 3.8Å; L346-F454 HydrophobicContact CD2-CZ 3.8Å; L346-F454 HydrophobicContact CG-CZ 4.39Å; L450-F454 WeakPolarHBondContact O-CD2 3.35Å; L450-F454 PolarHBondContact O-N 2.85Å; K451-F454 PolarHBondContact O-N 3.12Å; F454-A457 WeakPolarHBondContact O-CB 3.34Å; F454-L458 PolarHBondContact O-N 3.31Å; F454-L458 VanDerWaalsContact O-N 3.13Å
455V90.7Very high87.4Confident102 Ų10280 Ų8062%0.61840%0.395SS*.Hα-helixtrans-71.1-43174.7170.90000110.9K451 A453 A457 L458 Q459K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.83Å; A453-V455 PolarHBondContact O-N 3.42Å; V455-A457 VanDerWaalsContact C-N 3.28Å; V455-A457 PolarHBondContact O-N 3.23Å; V455-L458 PolarHBondContact O-N 3.37Å; V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.01Å
456K87.8Confident87.3Confident157 Ų15782.8 Ų82.868%0.68341%0.408SS*.Hα-helixtrans-61.8-37.4173-74.5-178.6176.4-1720112.2A452 A453 Q459 Q460A452-K456 WeakPolarHBondContact O-CB 3.46Å; A452-K456 WeakPolarHBondContact O-CG 3.44Å; A452-K456 PolarHBondContact O-N 3.37Å; A453-K456 PolarHBondContact O-N 3.18Å; K456-Q459 PolarHBondContact O-N 3.35Å; K456-Q460 WeakPolarHBondContact O-CB 3.31Å; K456-Q460 PolarHBondContact O-N 3.07Å
457A82.3Confident87.2Confident11 Ų1187.7 Ų87.79%0.09142%0.424CS..Hα-helixtrans-56.2-54.9173.800000112.3L342 A453 F454 V455 Q459 Q460 E461L342-A457 HydrophobicContact CD1-CB 3.5Å; L342-A457 VanDerWaalsContact CD1-CB 3.5Å; L342-A457 HydrophobicContact CD2-CB 3.38Å; L342-A457 HydrophobicContact CG-CB 4Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3Å; F454-A457 WeakPolarHBondContact O-CB 3.34Å; V455-A457 VanDerWaalsContact C-N 3.28Å; V455-A457 PolarHBondContact O-N 3.23Å; A457-Q459 VanDerWaalsContact C-N 3.3Å; A457-Q459 PolarHBondContact O-N 3.11Å; A457-Q460 PolarHBondContact O-N 3.25Å; A457-E461 PolarHBondContact O-N 3.02Å
458L86.5Confident86.8Confident101 Ų10185.8 Ų85.853%0.52941%0.411SS..Hα-helixtrans-63.3-38.8-178.6-15975.8000111.3F454 V455 E461 Q462F454-L458 PolarHBondContact O-N 3.31Å; F454-L458 VanDerWaalsContact O-N 3.13Å; V455-L458 PolarHBondContact O-N 3.37Å; L458-E461 PolarHBondContact O-N 3.39Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.2Å
459Q89.7Confident86.3Confident113 Ų11386.4 Ų86.453%0.52841%0.414SS..Hα-helixtrans-65-41.3177-172.160.981.800112.5V455 K456 A457 Q462 E463V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.01Å; K456-Q459 PolarHBondContact O-N 3.35Å; A457-Q459 VanDerWaalsContact C-N 3.3Å; A457-Q459 PolarHBondContact O-N 3.11Å; Q459-Q462 PolarHBondContact O-N 2.9Å; Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.2Å
460Q84.3Confident86Confident70 Ų7088 Ų8833%0.32743%0.426SS..Hα-helixtrans-72-31.8177.8-166.2-179.6-7.400111.8L338 K456 A457 I464L338-Q460 HydrophobicContact CD1-CB 4.13Å; L338-Q460 HydrophobicContact CD1-CG 3.66Å; K456-Q460 WeakPolarHBondContact O-CB 3.31Å; K456-Q460 PolarHBondContact O-N 3.07Å; A457-Q460 PolarHBondContact O-N 3.25Å; Q460-I464 HydrophobicContact CG-CD1 4.38Å; Q460-I464 WeakPolarHBondContact O-CD1 3.46Å; Q460-I464 VanDerWaalsContact O-CG1 3.3Å; Q460-I464 WeakPolarHBondContact O-CG1 3.29Å; Q460-I464 PolarHBondContact O-N 3.22Å; Q460-I464 VanDerWaalsContact O-N 3.11Å
461E82.1Confident85.3Confident38 Ų3891.8 Ų91.818%0.17844%0.442CS..Hα-helixtrans-64.2-46.1171.9-167.1164.4-15500111.1K335 L338 A457 L458 I464 E465K335-E461 WeakPolarHBondContact CE-OE1 3.43Å; K335-E461 IonicContact NZ-OE1 2.71Å; K335-E461 PolarHBondContact NZ-OE1 3.1Å; L338-E461 HydrophobicContact CD2-CB 3.66Å; L338-E461 HydrophobicContact CD2-CG 4.12Å; A457-E461 PolarHBondContact O-N 3.02Å; L458-E461 PolarHBondContact O-N 3.39Å; E461-I464 PolarHBondContact O-N 3.35Å; E461-E465 PolarHBondContact O-N 3.25Å
462Q87.8Confident84.3Confident106 Ų10688.2 Ų88.250%0.49543%0.432SS..Hα-helixtrans-64.7-39.5175.3-71.7175.50.400113.2L458 Q459 I464 E465 Q466L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.2Å; Q459-Q462 PolarHBondContact O-N 2.9Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.89Å; Q462-E465 PolarHBondContact O-N 3.4Å; Q462-Q466 WeakPolarHBondContact O-CB 3.49Å; Q462-Q466 PolarHBondContact O-N 2.86Å
463E88.4Confident83.2Confident81 Ų8189.2 Ų89.238%0.37944%0.441SS..Hα-helixtrans-62.8-41176.7-172.4-175.717400111.6Q459 R467Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.2Å; E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.3Å; E463-R467 PolarHBondContact O-N 3.3Å; E463-R467 IonicContact OE1-CZ 3.88Å; E463-R467 IonicContact OE1-NE 2.72Å; E463-R467 PolarHBondContact OE1-NE 3.43Å; E463-R467 IonicContact OE1-NH2 2.63Å; E463-R467 PolarHBondContact OE1-NH2 2.86Å
464I83.2Confident81.9Confident43 Ų4392.4 Ų92.422%0.22146%0.462CS..Hα-helixtrans-66.1-44.1176.2-71.4167.2000110.8A334 L338 Q460 E461 Q462 Q466 R467 I468A334-I464 HydrophobicContact CB-CG2 4.35Å; L338-I464 HydrophobicContact CD1-CD1 4.1Å; L338-I464 HydrophobicContact CD2-CD1 4.29Å; Q460-I464 HydrophobicContact CG-CD1 4.38Å; Q460-I464 WeakPolarHBondContact O-CD1 3.46Å; Q460-I464 VanDerWaalsContact O-CG1 3.3Å; Q460-I464 WeakPolarHBondContact O-CG1 3.29Å; Q460-I464 PolarHBondContact O-N 3.22Å; Q460-I464 VanDerWaalsContact O-N 3.11Å; E461-I464 PolarHBondContact O-N 3.35Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.89Å; I464-Q466 PolarHBondContact O-N 3.46Å; I464-R467 PolarHBondContact O-N 3.39Å; I464-I468 HydrophobicContact CG2-CD1 3.74Å; I464-I468 HydrophobicContact CG2-CG1 4.46Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.25Å; I464-I468 PolarHBondContact O-N 2.86Å
465E84.1Confident80.4Confident70 Ų7091 Ų9133%0.32747%0.466SS..Hα-helixtrans-64.9-39.2178.1-72.2-178.9169.800112.2K335 E461 Q462 I468 L469K335-E465 IonicContact NZ-OE1 3.99Å; K335-E465 PolarHBondContact NZ-OE1 2.92Å; E461-E465 PolarHBondContact O-N 3.25Å; Q462-E465 PolarHBondContact O-N 3.4Å; E465-I468 PolarHBondContact O-N 3.18Å; E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.23Å
466Q87.6Confident78.5Confident139 Ų13990.6 Ų90.665%0.6547%0.468SS*.Hα-helixtrans-63.5-44.1173-175.7175.991.400112.3Q462 I464 I468 L469 Q470Q462-Q466 WeakPolarHBondContact O-CB 3.49Å; Q462-Q466 PolarHBondContact O-N 2.86Å; I464-Q466 PolarHBondContact O-N 3.46Å; Q466-I468 VanDerWaalsContact C-N 3.34Å; Q466-I468 PolarHBondContact O-N 2.86Å; Q466-L469 PolarHBondContact O-N 3.2Å; Q466-Q470 PolarHBondContact O-N 3.41Å
467R83.8Confident76.8Confident154 Ų15488.1 Ų88.158%0.58147%0.471SS*.Hα-helixtrans-63.3-38.2176.9-74.4176.6-178-159.12.5112.3E463 I464 Q470 Q471E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.3Å; E463-R467 PolarHBondContact O-N 3.3Å; E463-R467 IonicContact OE1-CZ 3.88Å; E463-R467 IonicContact OE1-NE 2.72Å; E463-R467 PolarHBondContact OE1-NE 3.43Å; E463-R467 IonicContact OE1-NH2 2.63Å; E463-R467 PolarHBondContact OE1-NH2 2.86Å; I464-R467 PolarHBondContact O-N 3.39Å; R467-Q470 PolarHBondContact O-N 2.92Å; R467-Q471 WeakPolarHBondContact O-CG 3.44Å; R467-Q471 PolarHBondContact O-N 3.07Å
468I81.8Confident75.1Confident30 Ų3092.4 Ų92.415%0.15450%0.5CS..Hα-helixtrans-66.7-45.3176.9-70.6169.4000110.8Q331 I464 E465 Q466 Q470 Q471 T472Q331-I468 HydrophobicContact CB-CD1 3.92Å; Q331-I468 HydrophobicContact CG-CD1 3.76Å; I464-I468 HydrophobicContact CG2-CD1 3.74Å; I464-I468 HydrophobicContact CG2-CG1 4.46Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.25Å; I464-I468 PolarHBondContact O-N 2.86Å; E465-I468 PolarHBondContact O-N 3.18Å; Q466-I468 VanDerWaalsContact C-N 3.34Å; Q466-I468 PolarHBondContact O-N 2.86Å; I468-Q470 VanDerWaalsContact C-N 3.29Å; I468-Q470 PolarHBondContact O-N 3.03Å; I468-Q471 PolarHBondContact O-N 2.85Å; I468-T472 PolarHBondContact O-N 2.69Å; I468-T472 PolarHBondContact O-OG1 2.98Å
469L83.1Confident73.2Confident122 Ų12297.2 Ų97.264%0.63952%0.517SS*.Hα-helixtrans-59.6-38.7174.9-73.6168.1000112.3E465 Q466 T472 A473E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.23Å; Q466-L469 PolarHBondContact O-N 3.2Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; L469-T472 PolarHBondContact O-OG1 3.09Å; L469-A473 WeakPolarHBondContact O-CB 3.49Å; L469-A473 PolarHBondContact O-N 3.01Å
470Q82.5Confident70.7Confident143 Ų14398.5 Ų98.567%0.66853%0.533SS*.Hα-helixtrans-71.2-35.8176.9-167.2152.381.800112.3Q466 R467 I468 A473 S474Q466-Q470 PolarHBondContact O-N 3.41Å; R467-Q470 PolarHBondContact O-N 2.92Å; I468-Q470 VanDerWaalsContact C-N 3.29Å; I468-Q470 PolarHBondContact O-N 3.03Å; Q470-A473 PolarHBondContact O-N 3.47Å; Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.88Å; Q470-S474 PolarHBondContact O-OG 2.93Å
471Q73.8Confident68.6Low132 Ų132101.5 Ų101.562%0.61756%0.556SS**Hα-helixtrans-64.9-42.6172.7-77.3-178.1-11.300112.4R467 I468 S474 S475R467-Q471 WeakPolarHBondContact O-CG 3.44Å; R467-Q471 PolarHBondContact O-N 3.07Å; I468-Q471 PolarHBondContact O-N 2.85Å; Q471-S474 WeakPolarHBondContact CA-OG 3.28Å; Q471-S474 PolarHBondContact O-N 3.46Å; Q471-S474 PolarHBondContact O-OG 3.3Å; Q471-S475 PolarHBondContact O-N 3.35Å; Q471-S475 PolarHBondContact O-OG 2.95Å
472T68.6Low66.9Low65 Ų65105.5 Ų105.540%0.39959%0.588SS.*Hα-helixtrans-67.7-35.1176.153.20000112.4I468 L469 S475I468-T472 PolarHBondContact O-N 2.69Å; I468-T472 PolarHBondContact O-OG1 2.98Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; L469-T472 PolarHBondContact O-OG1 3.09Å; T472-S475 WeakPolarHBondContact CA-OG 3.38Å; T472-S475 PolarHBondContact O-OG 2.93Å
473A66.9Low64.7Low63 Ų63105.4 Ų105.452%0.52160%0.599SS.*Hα-helixtrans-62.4-43.7171.200000111.9L469 Q470 S475 S476L469-A473 WeakPolarHBondContact O-CB 3.49Å; L469-A473 PolarHBondContact O-N 3.01Å; Q470-A473 PolarHBondContact O-N 3.47Å; A473-S475 VanDerWaalsContact C-N 3.32Å; A473-S475 PolarHBondContact O-N 2.99Å; A473-S476 PolarHBondContact O-OG 3.17Å
474S58.1Low62.2Low85 Ų85106.8 Ų106.859%0.59462%0.618SS**Hα-helixtrans-73.1-14.6-176.869.30000115.7Q470 Q471Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.88Å; Q470-S474 PolarHBondContact O-OG 2.93Å; Q471-S474 WeakPolarHBondContact CA-OG 3.28Å; Q471-S474 PolarHBondContact O-N 3.46Å; Q471-S474 PolarHBondContact O-OG 3.3Å
475S54.8Low60.2Low85 Ų85110 Ų11059%0.59464%0.644SS**THydrogen-bonded Turntrans-96.73.2-175.739.20000114.4Q471 T472 A473Q471-S475 PolarHBondContact O-N 3.35Å; Q471-S475 PolarHBondContact O-OG 2.95Å; T472-S475 WeakPolarHBondContact CA-OG 3.38Å; T472-S475 PolarHBondContact O-OG 2.93Å; A473-S475 VanDerWaalsContact C-N 3.32Å; A473-S475 PolarHBondContact O-N 2.99Å
476S52.2Low59.2Low95 Ų95112.6 Ų112.666%0.66467%0.667SS**SBendtrans-91.4-12.617761.70000114.4A473 S478A473-S476 PolarHBondContact O-OG 3.17Å; S476-S478 PolarHBondContact O-N 3.19Å
477S50.3Low56.5Low105 Ų105111.8 Ų111.873%0.73468%0.676SS**SBendtrans-91.98.8-167.8-45.50000115.9
478S46.8Very low54.4Low100 Ų100112 Ų11270%0.69969%0.688SS**SBendtrans-131.752.1-170.666.40000114.4S476S476-S478 PolarHBondContact O-N 3.19Å
479K48Very low52.2Low202 Ų202116 Ų11688%0.87872%0.719SS**  trans-163.275163.2-115.4166.8-171179.50114.6
480T35.6Very low49.9Very low141 Ų141119.4 Ų119.487%0.86573%0.729SS**  trans-134.894.8158.749.50000109.8
481T41.7Very low47.5Very low133 Ų133116.9 Ų116.982%0.81673%0.727SS**  trans-86.9140.8164.345.70000109.6
482S46.5Very low45.6Very low121 Ų121118.4 Ų118.485%0.84673%0.734SS**  trans63161179.682.30000114.3
483S40.9Very low43.9Very low105 Ų105121.3 Ų121.373%0.73475%0.751SS**  cis-142176.317.4670000114.8
484S37Very low42.7Very low110 Ų110125.3 Ų125.377%0.76976%0.763SS**  trans-61.6156.2160.148.10000112.6
485S40.5Very low41.6Very low111 Ų111128.7 Ų128.778%0.77677%0.773SS**  trans-72.4-176.5-177.4-41.30000114.3
486P63.2Low41Very low123 Ų123129.5 Ų129.580%0.79978%0.778SS**  cis-133.8174-49.633.1-16.3000113.1
487S30.2Very low40.7Very low122 Ų122130.4 Ų130.485%0.85378%0.782SS**  trans-154.6170.3149-160.30000112.4
488L40.7Very low40.1Very low159 Ų159131.2 Ų131.283%0.83277%0.774SS**  trans-101.4143.5-165.9-60.7162.5000112.6
489S35.3Very low39.4Very low115 Ų115137.8 Ų137.880%0.80479%0.786SS**  163.5135.5107.254.50000116.3
490K34Very low38.7Very low193 Ų193135.8 Ų135.884%0.83978%0.777SS**  trans67.6120.5138.6-145.7166.8-170.6176.50122.7
491S32.7Very low38.6Very low90 Ų90138 Ų13863%0.62978%0.777SS**  trans61.3118.8151.8-71.50000119.3
492E33.3Very low38.1Very low164 Ų164138.8 Ų138.877%0.76678%0.775SS**  78.5117.872.2-166.4-178.6-178.300110.8
493V33.9Very low37.6Very low126 Ų126144.2 Ų144.276%0.76478%0.777SS**  -149.4161.673.3160.10000112.6
494L41.7Very low37.2Very low147 Ų147144.4 Ų144.477%0.7778%0.778SS**  trans-39157.3170.8-59.398.4000115.2
495I34.2Very low37Very low156 Ų156146.1 Ų146.180%0.878%0.779SS**  -151.7149.451-74.3170.3000112.9
496S42.5Very low36.6Very low101 Ų101147.2 Ų147.271%0.70678%0.775SS**  trans-134.3149.3157.2-170.60000109.3Q498S496-Q498 PolarHBondContact OG-N 2.86Å
497P46.7Very low35.2Very low114 Ų114149.1 Ų149.174%0.7477%0.774SS**  -129.4133.1107.57.114.1000111.4
498Q36.3Very low35.2Very low122 Ų122151.8 Ų151.857%0.5777%0.772SS**  70.9112.470-171.5-174.6117.600113.8S496 K500S496-Q498 PolarHBondContact OG-N 2.86Å; Q498-K500 HydrophobicContact CG-CG 4.17Å; Q498-K500 VanDerWaalsContact OE1-NZ 3.14Å
499Y32.7Very low34.6Very low239 Ų239155.9 Ų155.994%0.93778%0.776SS**  trans-123.5135.3143.5-112.3-97.2000108.8
500K32.4Very low34.4Very low160 Ų160155.3 Ų155.370%0.69677%0.772SS**  trans-90.5129-177.1-74.2165170.2147.60110.2Q498Q498-K500 HydrophobicContact CG-CG 4.17Å; Q498-K500 VanDerWaalsContact OE1-NZ 3.14Å
501Q34.2Very low34.2Very low188 Ų188152.6 Ų152.688%0.87977%0.771SS**  trans-98.8109.3163.1-175.6172.9-8.300108.6
502I31.2Very low34.1Very low149 Ų149153.8 Ų153.876%0.76478%0.78SS**  trans-79.8130172.8-64.9174.8000108.3
503R35.8Very low33.9Very low234 Ų234150.4 Ų150.488%0.88378%0.78SS**  trans-123.8124.3171.2-167-175.8-163.4-179.35.3107.5
504S32.7Very low33.8Very low109 Ų109153 Ų15376%0.76278%0.783SS**  trans-107148.2173.6-54.40000109.4
505D32.5Very low33.5Very low146 Ų146154.8 Ų154.878%0.78179%0.787SS**  trans-144.9174.5-176.9-165.77.9000109.6
506L32.9Very low33.2Very low134 Ų134151.3 Ų151.370%0.70278%0.777SS**  trans72.2137.9-179.2-101.766.5000114.7
507Q32.9Very low32.8Very low164 Ų164153.4 Ų153.477%0.76678%0.779SS**  cis-143.9157.120.7-65-173-12.300115.4
508H29.9Very low32Very low177 Ų177156.4 Ų156.482%0.81978%0.78SS**  trans18132.8146-68.6-102.1000122
509R28.7Very low31.7Very low246 Ų246158.1 Ų158.193%0.92879%0.788SS**  -170.8161.691.7-164.5163.8-177.4166.81.2111.7
510S30.5Very low31.7Very low102 Ų102150.4 Ų150.471%0.71377%0.769SS**  trans-122.5143.9-173.550.40000114.7
511V30.7Very low31.6Very low136 Ų136151.9 Ų151.982%0.82478%0.778SS**  trans-178.5124.5142.3-92.80000106.6
512S30Very low31.6Very low116 Ų116151 Ų15181%0.81178%0.779SS**  95146.263.1-66.10000114.1
513A29.6Very low31.5Very low92 Ų92148.8 Ų148.876%0.7678%0.782SS**  trans82.985.2166.700000121.3
514H32.3Very low31.3Very low180 Ų180146.7 Ų146.783%0.83378%0.782SS**  20.8149.2129.6-60.9-86.7000124.5
515H34.6Very low31Very low185 Ų185146.3 Ų146.386%0.85678%0.78SS**  trans74.7159.2148.1108.8-57.5000118.7
516S28.5Very low31Very low83 Ų83147.1 Ų147.158%0.5878%0.782SS**  cis-171.3138.8-35.1-177.30000111.6
517I33.5Very low30.9Very low146 Ų146148.4 Ų148.475%0.74979%0.785SS**  trans64.6142150.8-75.3170.7000121.1
518K29.7Very low30.8Very low176 Ų176144.9 Ų144.977%0.76578%0.778SS**  trans97.7126153.9-98170-175.3179.50122.5
519Q30.6Very low30.9Very low158 Ų158148.3 Ų148.374%0.73878%0.784SS**  trans66.4107.3141.6-83.8174.5-80.100122.4
520S31.6Very low30.8Very low78 Ų78139.9 Ų139.955%0.54577%0.774SS.*  37.8126.4124.759.40000120.6
521H31.6Very low31Very low190 Ų190143.1 Ų143.188%0.8878%0.782SS**  -161.4173.396-100.5-72.9000111.6
522L33.6Very low31Very low171 Ų171140.7 Ų140.790%0.89578%0.777SS**  trans-98.2135.4-170.6-67.3159.5000112.3
523A30Very low31.1Very low101 Ų101143.3 Ų143.384%0.83578%0.776SS**  trans177.2133.9132.600000111
524H31.3Very low31.1Very low190 Ų190144.4 Ų144.488%0.8878%0.778SS**  trans-88.2128.9168.2-88.2-77000111
525S26.6Very low30.9Very low102 Ų102145.4 Ų145.471%0.71378%0.78SS**  trans-109.5136.5151.8179.80000108.2
526I31.7Very low30.6Very low162 Ų162143.2 Ų143.283%0.83178%0.78SS**  trans-132.9114.8162.1-62.6-176.3000107.7
527Q30.9Very low30.8Very low162 Ų162145 Ų14576%0.75779%0.792SS**  trans-126.6147.7174.5-157.6-179.816.800108.6
528S30Very low30.9Very low90 Ų90143.2 Ų143.263%0.62979%0.793SS**  trans63.5124.1153.963.70000122.2
529R32.9Very low31.1Very low248 Ų248142.5 Ų142.594%0.93679%0.792SS**  71.1149.9124-69176.7172.5173.1-3.4121.8
530G27.8Very low31.3Very low70 Ų70143.1 Ų143.172%0.72280%0.8SS**  trans105.9149.9159.700000114.3
531L33.5Very low31.6Very low170 Ų170146.1 Ų146.189%0.8981%0.805SS**  cis-160.4154.4-24.3-130.8152.8000107.2
532A30.6Very low31.8Very low85 Ų85145.2 Ų145.270%0.70281%0.807SS**  trans-89.5142.5-170.500000113.7
533H32.4Very low31.9Very low171 Ų171141.3 Ų141.379%0.79280%0.799SS**  trans-134.6133162.6-76.8-82.5000110.1
534S29.3Very low32.1Very low115 Ų115143.4 Ų143.480%0.80480%0.801SS**  trans-97.3149.3178.5-56.80000111.1
535F28.2Very low32.2Very low201 Ų201140.6 Ų140.688%0.88280%0.797SS**  trans-133.3152.4164.4-81.4-80.2000111.5
536T29.5Very low32.9Very low139 Ų139140.5 Ų140.585%0.85380%0.803SS**  trans-83.6147-159-42.70000113.3
537S31.1Very low33Very low120 Ų120137.7 Ų137.784%0.83980%0.804SS**  trans-94.7131.7169.8-175.10000110.9
538S35.8Very low33.4Very low109 Ų109134.6 Ų134.676%0.76281%0.806SS**  trans-119.7135.4175.154.40000110.6
539Q35.4Very low33.5Very low161 Ų161139.2 Ų139.275%0.75282%0.823SS**  trans-64.4146.7-177.7-66.1175.7-27.300113.3
540L33.4Very low33.3Very low171 Ų171131 Ų13190%0.89582%0.815SS**  trans-144.8126.2135.8-81-175.9000109.4
541Q38.1Very low33.8Very low140 Ų140133.6 Ų133.665%0.65482%0.822SS**  trans-77.8151.3157.3-6786.6-14.700109.8
542N35.7Very low33.9Very low172 Ų172137.4 Ų137.492%0.9283%0.825SS**  -161.7153.3129.7-106.6-23.7000111.2
543A35Very low33.9Very low88 Ų88137.7 Ų137.773%0.72783%0.827SS**  trans-107.5159.5-178.500000111.6
544V35.3Very low33.7Very low146 Ų146133 Ų13389%0.88583%0.825SS**  trans-133123.4158.2-178.70000108.4
545T33.3Very low33.9Very low130 Ų130136.4 Ų136.480%0.79883%0.825SS**  trans-80.8163.9-178.3-38.30000111.1
546A40.3Very low34.2Very low101 Ų101134 Ų13484%0.83582%0.817SS**  trans-62136.4175.100000112.5
547A33.8Very low34.2Very low103 Ų103131.8 Ų131.885%0.85181%0.813SS**  trans-137.298.9165.800000109.2
548A39.7Very low34.1Very low96 Ų96130.9 Ų130.979%0.79381%0.812SS**  trans-93.1129162.300000108.2
549L31.9Very low33.8Very low188 Ų188130 Ų13098%0.98481%0.811SS**  trans-176.9155.8161.8-103.4167.5000109.1
550G28.6Very low33.4Very low76 Ų76130.4 Ų130.478%0.78482%0.818SS**  trans103.15816200000119
551S38.3Very low33.1Very low123 Ų123127.8 Ų127.886%0.8681%0.814SS**  trans-121.3110.6161.9-74.50000111.4
552R36.5Very low32.6Very low250 Ų250128.2 Ų128.294%0.94382%0.82SS**  trans-164.7150.9170.9-99.5-169.8-179.5-123.8-2.4109.2
553A31.5Very low32.4Very low92 Ų92126.7 Ų126.776%0.7681%0.807SS**  cis-159.9167.5-4.500000112.5
554G27.6Very low32.2Very low73 Ų73130.9 Ų130.975%0.75381%0.812SS**  trans104.2131.616600000113.5
555K33.7Very low31.7Very low185 Ų185127.6 Ų127.680%0.80481%0.807SS**SBendcis-152.1153.67-76.3-179.2172.8-174.90108.2
556H34Very low31.6Very low152 Ų152126 Ų12670%0.70481%0.807SS**  cis-143.9150.7-8.7-98.7-54000107.1
557A28.8Very low31.1Very low92 Ų92130.2 Ų130.276%0.7681%0.807SS**  42.2124.293.600000114.9
558A29.2Very low30.9Very low100 Ų100131.8 Ų131.883%0.82681%0.806SS**  cis-147.3-168.611.200000110.2
559A29.4Very low30.3Very low90 Ų90132.8 Ų132.874%0.74481%0.807SS**  cis-147.9-99.99.800000114.5
560L28.2Very low30.1Very low170 Ų170128.2 Ų128.289%0.8980%0.796SS**  trans-144.9171.7-164.5-59.2170000109
561S25.9Very low29.9Very low117 Ų117130.1 Ų130.182%0.81880%0.797SS**  cis-150.8-170.812.8-156.40000112.9
562L28.6Very low29.5Very low148 Ų148129.4 Ų129.478%0.77579%0.792SS**  trans-90.4167.1-174.6-150.683.7000114
563Q30.8Very low29.2Very low140 Ų140123.8 Ų123.865%0.65479%0.791SS**  trans99.6125.8137.3-154.8138.911.600121.4
564Q30.3Very low29Very low177 Ų177123.2 Ų123.283%0.82780%0.795SS**  trans52.2141.5149.6-76.8163.75.100122.4
565G25.7Very low29.1Very low76 Ų76127.8 Ų127.878%0.78480%0.802SS**  trans134.1111.4136.800000119.1
566A30.5Very low29.1Very low97 Ų97127.6 Ų127.680%0.80280%0.804SS**  trans20.2125.9147.200000123.2
567K30.5Very low28.8Very low189 Ų189124.1 Ų124.182%0.82281%0.809SS**  22.5112124.6174.9-123.9177.9-177.40118.6
568V28.9Very low28.9Very low137 Ų137126.5 Ų126.583%0.8381%0.809SS**  -163.3173.6124.4-980000110.9
569S27.1Very low28.9Very low117 Ų117129.9 Ų129.982%0.81881%0.81SS**  trans-115159.4-169.5-51.20000114.4
570A27.1Very low29Very low92 Ų92129 Ų12976%0.7681%0.809SS**  trans77168.1149.500000119.6
571S25.6Very low29.2Very low116 Ų116125.7 Ų125.781%0.81181%0.806SS**  trans66.5156.3-171.979.30000116.4
572S28.8Very low29.3Very low107 Ų107132.3 Ų132.375%0.74881%0.813SS**  -179132.6-65.246.10000109.1
573S31.5Very low29.5Very low132 Ų132135.9 Ų135.992%0.92382%0.816SS**  trans-149.1104.9158.8-90.30000109.3
574G27.7Very low29.7Very low81 Ų81137.6 Ų137.684%0.83582%0.822SS**  trans-96.5164.7165.500000110.5
575N29Very low29.8Very low169 Ų169136.5 Ų136.590%0.90482%0.817SS**  trans-115.6147162.3-1564.2000109.1
576Q32.4Very low30Very low181 Ų181135.9 Ų135.985%0.84681%0.81SS**  trans-83.3151.3-159-66-175.84.200114.8
577G29.2Very low30.1Very low78 Ų78138 Ų13880%0.80482%0.82SS**  trans-147.499.2164.300000110
578N30.4Very low30.1Very low143 Ų143132.4 Ų132.477%0.76582%0.815SS**  trans-60.7159.4173.6-108.4-3.1000111.2
579M30.2Very low30.3Very low171 Ų171134 Ų13484%0.84282%0.819SS**  cis-172.1173.5346.3-170.2172.800109.8
580G31Very low30.5Very low71 Ų71133.3 Ų133.373%0.73282%0.821SS**  trans106.885.9149.500000116.9
581A31.5Very low30.7Very low100 Ų100132.7 Ų132.783%0.82682%0.823SS**  trans-98.2136.9166.700000111.3
582W28.1Very low31.3Very low257 Ų257133.8 Ų133.897%0.97383%0.825SS**  trans-122.4154165.7-75.279.9000109.6
583R33.4Very low31.7Very low222 Ų222135.6 Ų135.684%0.83883%0.831SS**  trans-143.7140.7-153.6-167.6-127.4-63.5-97.89.5112.8
584K34.5Very low31.9Very low176 Ų176137.7 Ų137.777%0.76583%0.828SS**  trans64.2168.9170.8-83.7-170.6164.8-140.40114.4
585Q32.1Very low32.2Very low154 Ų154138.6 Ų138.672%0.7283%0.828SS**  cis-173.4147.5-22.9168.4-175.7-35.400106.1
586G30.5Very low32.4Very low63 Ų63140.2 Ų140.265%0.64982%0.823SS**  cis150.1149.6-4.800000112.3
587S32.5Very low32.6Very low143 Ų143138.5 Ų138.5100%182%0.824SS**  trans86.7149-176.4-1580000117.2
588G30.1Very low32.6Very low71 Ų71140 Ų14073%0.73281%0.814SS**  trans157.6131.6-178.600000110.7
589N33.6Very low33Very low170 Ų170138.9 Ų138.991%0.90982%0.815SS**  trans-129.5165.2-163.6-143.622.5000113.6
590A31.7Very low33.5Very low103 Ų103134.9 Ų134.985%0.85180%0.803SS**  trans77.4135.6171.100000118.9
591G31.7Very low34.1Very low78 Ų78140 Ų14080%0.80481%0.813SS**  trans155.9112.3175.800000111.3
592V37.2Very low34.4Very low140 Ų140140.9 Ų140.985%0.84881%0.813SS**  trans-98.5126.9-177.4173.70000110.8
593T37.9Very low34.8Very low145 Ų145133.2 Ų133.289%0.8980%0.804SS**  trans-165.5155.6152.9-2.10000110.8
594M36Very low35.1Very low175 Ų175132.3 Ų132.386%0.86281%0.809SS**  trans-118.8149.6-171.5-86.1-86.3-81.100112.2
595A32.5Very low35.6Very low100 Ų100133 Ų13383%0.82681%0.813SS**  trans62.1142.8174.100000115.2
596Y33.3Very low36.3Very low204 Ų204132.7 Ų132.780%0.882%0.821SS**  cis-151.2111.723.9172.9-93.8000109
597V36.7Very low37.3Very low144 Ų144132.3 Ų132.387%0.87381%0.808SS**  trans-87.1117.3176.5-85.60000111.1
598N29.7Very low39.3Very low110 Ų110128.5 Ų128.559%0.58878%0.782SS**  trans-61.7128173-178.2-18000109.6S600N598-S600 PolarHBondContact O-N 3.47Å; N598-S600 WeakPolarHBondContact OD1-CB 3.34Å; N598-S600 PolarHBondContact OD1-N 3.14Å; N598-S600 PolarHBondContact OD1-OG 3.01Å
599P39Very low41.1Very low120 Ų120128.7 Ų128.778%0.77978%0.776SS**SBendtrans-71.310.3-17629.7-36.4000114.7L601P599-L601 PolarHBondContact O-N 3.05Å
600S40Very low43.1Very low86 Ų86125.9 Ų125.960%0.60177%0.765SS**  trans-92.887.1177.4-51.70000110.5N598N598-S600 PolarHBondContact O-N 3.47Å; N598-S600 WeakPolarHBondContact OD1-CB 3.34Å; N598-S600 PolarHBondContact OD1-N 3.14Å; N598-S600 PolarHBondContact OD1-OG 3.01Å
601L43.3Very low45.2Very low179 Ų179124.6 Ų124.694%0.93774%0.741SS**  trans15493.1154.8-86.1171.5000110.1P599P599-L601 PolarHBondContact O-N 3.05Å
602S38.6Very low47.5Very low119 Ų119128.3 Ų128.383%0.83273%0.731SS**  trans-129.9137.2158.2630000109.4
603A35.9Very low49.4Very low95 Ų95127.8 Ų127.879%0.78572%0.72SS**  trans-72.1146.3-162.300000113.6K605A603-K605 PolarHBondContact O-N 3.33Å
604H41.3Very low51.5Low203 Ų203127.5 Ų127.594%0.9470%0.702SS**  trans-56.5102.3177.9-65.1-73.9000112.5
605K44.5Very low53.4Low192 Ų192124.4 Ų124.484%0.83569%0.686SS**  trans-98.2151.5156.8-67.5-175.7178.2178.80108.8A603 S607A603-K605 PolarHBondContact O-N 3.33Å; K605-S607 PolarHBondContact O-N 3.34Å
606T46.3Very low55.7Low147 Ų147126.9 Ų126.990%0.90268%0.675SS**  trans-67.493.3-176.6490000111.2S608T606-S608 PolarHBondContact O-N 3.12Å
607S52.2Low58.1Low54 Ų54122.1 Ų122.138%0.37866%0.662SS.*  trans-62.9123.4-178.5178.30000111.6K605K605-S607 PolarHBondContact O-N 3.34Å
608S73.2Confident59.7Low64 Ų64119.4 Ų119.445%0.44864%0.643SS.*  trans-70.1160.9177.579.30000110.9T606 V610 E611 R612T606-S608 PolarHBondContact O-N 3.12Å; S608-V610 PolarHBondContact O-N 3.04Å; S608-V610 PolarHBondContact OG-N 2.94Å; S608-E611 PolarHBondContact O-N 2.97Å; S608-E611 PolarHBondContact OG-N 2.94Å; S608-R612 PolarHBondContact O-N 2.98Å; S608-R612 VanDerWaalsContact O-N 3.1Å
609A69.4Low62Low74 Ų74121 Ų12161%0.61265%0.651SS**Hα-helixtrans-59.3-30.717600000112.6Q613A609-Q613 WeakPolarHBondContact O-CB 3.44Å; A609-Q613 PolarHBondContact O-N 2.94Å; A609-Q613 VanDerWaalsContact O-N 3.13Å
610V74.6Confident63.6Low111 Ų111120.9 Ų120.967%0.67364%0.641SS**Hα-helixtrans-69.9-44.4177.2-178.40000111.1S608 Q613 R614S608-V610 PolarHBondContact O-N 3.04Å; S608-V610 PolarHBondContact OG-N 2.94Å; V610-Q613 PolarHBondContact O-N 3.08Å; V610-R614 PolarHBondContact O-N 3.08Å
611E76.3Confident65.1Low76 Ų76121.6 Ų121.636%0.35564%0.638SS.*Hα-helixtrans-67.7-39.2-179.4-16160.6-134.100111.3S608 Q613 R614 E615S608-E611 PolarHBondContact O-N 2.97Å; S608-E611 PolarHBondContact OG-N 2.94Å; E611-Q613 VanDerWaalsContact C-N 3.31Å; E611-Q613 PolarHBondContact O-N 3.12Å; E611-R614 CarbonylContact O-C 3.56Å; E611-R614 WeakPolarHBondContact O-CA 3.49Å; E611-R614 WeakPolarHBondContact O-CB 3.45Å; E611-R614 PolarHBondContact O-N 3.03Å; E611-R614 WeakPolarHBondContact OE1-CD 3.49Å; E611-R614 IonicContact OE1-CZ 3.65Å; E611-R614 IonicContact OE1-NE 3.72Å; E611-R614 IonicContact OE1-NH1 2.69Å; E611-R614 PolarHBondContact OE1-NH1 3.4Å; E611-E615 PolarHBondContact O-N 3.32Å
612R80.1Confident65.6Low157 Ų157118.3 Ų118.359%0.59263%0.627SS**Hα-helixtrans-65.5-32.5174.6-152.3-170.7-49.7145.88.4113S608 Y616S608-R612 PolarHBondContact O-N 2.98Å; S608-R612 VanDerWaalsContact O-N 3.1Å; R612-Y616 PolarHBondContact O-N 3.03Å; R612-Y616 VanDerWaalsContact O-N 3.11Å
613Q75.8Confident66.1Low129 Ų129118.5 Ų118.560%0.60363%0.628SS**Hα-helixtrans-72.9-31.9171.8-176.1169.7-26.600111.7A609 V610 E611 L617A609-Q613 WeakPolarHBondContact O-CB 3.44Å; A609-Q613 PolarHBondContact O-N 2.94Å; A609-Q613 VanDerWaalsContact O-N 3.13Å; V610-Q613 PolarHBondContact O-N 3.08Å; E611-Q613 VanDerWaalsContact C-N 3.31Å; E611-Q613 PolarHBondContact O-N 3.12Å; Q613-L617 HydrophobicContact CG-CD1 4.3Å; Q613-L617 WeakPolarHBondContact O-CB 3.36Å; Q613-L617 VanDerWaalsContact O-CG 3.29Å; Q613-L617 WeakPolarHBondContact O-CG 3.33Å; Q613-L617 PolarHBondContact O-N 3.38Å
614R81.9Confident66.5Low139 Ų139125 Ų12553%0.52563%0.633SS.*Hα-helixtrans-67.1-42.9171.9179.1173.7171.6-80.7-10111.7V610 E611 L617 L618V610-R614 PolarHBondContact O-N 3.08Å; E611-R614 CarbonylContact O-C 3.56Å; E611-R614 WeakPolarHBondContact O-CA 3.49Å; E611-R614 WeakPolarHBondContact O-CB 3.45Å; E611-R614 PolarHBondContact O-N 3.03Å; E611-R614 WeakPolarHBondContact OE1-CD 3.49Å; E611-R614 IonicContact OE1-CZ 3.65Å; E611-R614 IonicContact OE1-NE 3.72Å; E611-R614 IonicContact OE1-NH1 2.69Å; E611-R614 PolarHBondContact OE1-NH1 3.4Å; R614-L617 PolarHBondContact O-N 3.03Å; R614-L618 HydrophobicContact CG-CD1 4.12Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.47Å; R614-L618 PolarHBondContact O-N 3.36Å; R614-L618 VanDerWaalsContact O-N 3.07Å
615E76.9Confident66.5Low110 Ų110120.5 Ų120.551%0.51462%0.623SS.*Hα-helixtrans-57.5-50.6171.3-71.8176.8126.300111.2E611 L617 L618 D619E611-E615 PolarHBondContact O-N 3.32Å; E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.49Å; E615-L618 PolarHBondContact O-N 3.38Å; E615-D619 PolarHBondContact O-N 3.45Å
616Y81.3Confident66.4Low152 Ų152118.9 Ų118.960%0.59662%0.622SS**Hα-helixtrans-59.3-37.4178.2-177.7-102.3000113.4R612 L618 M620R612-Y616 PolarHBondContact O-N 3.03Å; R612-Y616 VanDerWaalsContact O-N 3.11Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; Y616-M620 HydrophobicContact CE1-CG 4.2Å; Y616-M620 WeakPolarHBondContact O-CB 3.37Å; Y616-M620 VanDerWaalsContact O-CG 3.25Å; Y616-M620 WeakPolarHBondContact O-CG 3.4Å; Y616-M620 PolarHBondContact O-N 3.44Å
617L83.6Confident65.8Low104 Ų104116.8 Ų116.855%0.54561%0.614SS.*Hα-helixtrans-72.8-23.2175.9-73.7170.3000113.7Q613 R614 E615 I621Q613-L617 HydrophobicContact CG-CD1 4.3Å; Q613-L617 WeakPolarHBondContact O-CB 3.36Å; Q613-L617 VanDerWaalsContact O-CG 3.29Å; Q613-L617 WeakPolarHBondContact O-CG 3.33Å; Q613-L617 PolarHBondContact O-N 3.38Å; R614-L617 PolarHBondContact O-N 3.03Å; E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.49Å; L617-I621 WeakPolarHBondContact O-CG1 3.5Å
618L70.1Confident65.3Low87 Ų87123.4 Ų123.446%0.45564%0.639SS.*Hα-helixtrans-83.2-40.1175-70.8166.9000111.6R614 E615 Y616 M620 I621R614-L618 HydrophobicContact CG-CD1 4.12Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.47Å; R614-L618 PolarHBondContact O-N 3.36Å; R614-L618 VanDerWaalsContact O-N 3.07Å; E615-L618 PolarHBondContact O-N 3.38Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; L618-M620 VanDerWaalsContact C-N 3.25Å; L618-M620 PolarHBondContact O-N 3.01Å; L618-I621 HydrophobicContact CD2-CD1 4.29Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 PolarHBondContact O-N 3.01Å; L618-I621 VanDerWaalsContact O-N 3.09Å
619D78.4Confident63.6Low143 Ų143124.2 Ų124.277%0.76565%0.649SS**Hα-helixtrans-65.1-30175.8-163.552.9000112E615 I621E615-D619 PolarHBondContact O-N 3.45Å; D619-I621 PolarHBondContact O-N 3.04Å
620M71.6Confident62.3Low117 Ų117125.3 Ų125.358%0.57666%0.659SS**THydrogen-bonded Turntrans-71.2-0.7171.6-79.1-64.9-51.500115Y616 L618 P622Y616-M620 HydrophobicContact CE1-CG 4.2Å; Y616-M620 WeakPolarHBondContact O-CB 3.37Å; Y616-M620 VanDerWaalsContact O-CG 3.25Å; Y616-M620 WeakPolarHBondContact O-CG 3.4Å; Y616-M620 PolarHBondContact O-N 3.44Å; L618-M620 VanDerWaalsContact C-N 3.25Å; L618-M620 PolarHBondContact O-N 3.01Å; M620-P622 WeakPolarHBondContact O-CD 3.44Å
621I72.1Confident60.6Low102 Ų102126.6 Ų126.652%0.52366%0.662SS.*SBendtrans-95.7112.4174.9-57.7175.1000109.1L617 L618 D619 S623L617-I621 WeakPolarHBondContact O-CG1 3.5Å; L618-I621 HydrophobicContact CD2-CD1 4.29Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 PolarHBondContact O-N 3.01Å; L618-I621 VanDerWaalsContact O-N 3.09Å; D619-I621 PolarHBondContact O-N 3.04Å; I621-S623 PolarHBondContact O-N 3.2Å
622P53.1Low59.2Low110 Ų110129.5 Ų129.571%0.71469%0.685SS**  trans-59.2124.5177.3-23.734.3000111.2M620 R624M620-P622 WeakPolarHBondContact O-CD 3.44Å; P622-R624 PolarHBondContact O-N 3.24Å
623S48.8Very low57.2Low123 Ų123134.1 Ų134.186%0.8670%0.702SS**  trans-56.297.7-177-52.50000111.8I621 S625I621-S623 PolarHBondContact O-N 3.2Å; S623-S625 PolarHBondContact O-N 3.3Å
624R46.1Very low55.5Low232 Ų232141.2 Ų141.288%0.87573%0.731SS**  trans-67.4106.2172.7-69.4-175.4179.9-86.8-0.3108.3P622 I626P622-R624 PolarHBondContact O-N 3.24Å; R624-I626 PolarHBondContact O-N 3.16Å
625S41.3Very low54.2Low107 Ų107141.3 Ų141.375%0.74874%0.741SS**  trans-56.7103.717254.20000109.5S623 S627S623-S625 PolarHBondContact O-N 3.3Å; S625-S627 PolarHBondContact O-N 2.87Å
626I41.4Very low53Low158 Ų158142.9 Ų142.981%0.8175%0.753SS**  trans-78.193.2-178.7-155.8167.4000108.6R624 Q628R624-I626 PolarHBondContact O-N 3.16Å; I626-Q628 PolarHBondContact O-N 3.1Å
627S34.4Very low51.5Low104 Ų104142.4 Ų142.473%0.72776%0.762SS**  trans-65.9105.3176-60.10000109.2S625 A629S625-S627 PolarHBondContact O-N 2.87Å; S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.07Å
628Q41.2Very low49.6Very low192 Ų192144.7 Ų144.790%0.89778%0.775SS**  trans-6789.1167.7-73.4-169.44.200109.5I626I626-Q628 PolarHBondContact O-N 3.1Å
629A36.6Very low48.3Very low81 Ų81148.3 Ų148.367%0.66980%0.795SS**  trans-101.685.5165.500000108.2S627 N631S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.07Å; A629-N631 PolarHBondContact O-N 3.02Å
630A43.3Very low46.3Very low98 Ų98148.7 Ų148.781%0.8180%0.797SS**  trans-71.195.6173.600000109.5
631N39.3Very low44.5Very low138 Ų138150.9 Ų150.974%0.73881%0.813SS**  trans-96.1107.7168.6-88.9-35.1000109.4A629A629-N631 PolarHBondContact O-N 3.02Å
632T46.1Very low42.4Very low136 Ų136154.7 Ų154.783%0.83484%0.835SS**  trans-65.9125.916949.50000110.1
633W38.9Very low41.5Very low254 Ų254158.4 Ų158.496%0.96285%0.845SS**  trans-86.3148.9167.2-72.547000109.5
634K40.2Very low40.8Very low278 Ų278161.6 Ų161.6100%1.20984%0.844SS**  trans-149.40173.6-163-177.1-176.7-173.90109.1

Retrieved 634 of 634 residues in 347 ms (Link to these results)