A0A096NIM1_PAPAN Loading...

NF-kappa-B inhibitor epsilon

AlphaFold DB (G7MPG4), UniProt , Accession A0A096NIM1, Species PAPAN (Papio anubis, Olive baboon), Gene NFKBIE, Length 361 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
1M39.9Very low36.6Very low242 Ų242153.4 Ų153.4100%1.19283%0.833SS**  01120-55.4-177.6-175.100104.2
2S36.6Very low36.9Very low100 Ų100151.7 Ų151.770%0.69982%0.823SS**  cis-164.6127.338.1-40.70000106.5
3E34.9Very low37.5Very low194 Ų194152.8 Ų152.891%0.90782%0.82SS**  85.1120.5106.3-74.9-170.4127.600115.9
4A41.2Very low37.3Very low94 Ų94149.1 Ų149.178%0.77781%0.811SS**  trans-68.8148.6171.900000112.1
5R36.3Very low37.5Very low252 Ų252150.6 Ų150.695%0.95181%0.811SS**  trans-137.3104148.1-73.6-167.2177.4-172.2-1.3109.9
6K35.1Very low37.8Very low208 Ų208154.1 Ų154.190%0.90481%0.81SS**PPolyproline II helixtrans-72.4119.5164.2-171.2176.3-177.5-175.60106.8
7G32.9Very low38.4Very low62 Ų62151.8 Ų151.864%0.63980%0.799SS**PPolyproline II helixtrans-78.7151.1169.800000110.4
8P36.5Very low39.6Very low115 Ų115146.4 Ų146.475%0.74778%0.776SS**PPolyproline II helixtrans-75.8143-172.130.8-31.2000112.1E10P8-E10 PolarHBondContact O-N 2.99Å
9D36.2Very low40.6Very low160 Ų160139.8 Ų139.886%0.85675%0.746SS**  trans-57115.2158.6-97.7-41.2000108.3A11D9-A11 PolarHBondContact O-N 3.14Å
10E35.3Very low41.7Very low183 Ų183133.8 Ų133.886%0.85571%0.714SS**  trans-92.184.7158.8-68.7-89.9147.600105.9P8P8-E10 PolarHBondContact O-N 2.99Å
11A38Very low42.5Very low77 Ų77133.2 Ų133.264%0.63671%0.707SS**  trans-81.9157.7152.400000108D9D9-A11 PolarHBondContact O-N 3.14Å
12D39.8Very low43.5Very low133 Ų133125.4 Ų125.471%0.71168%0.676SS**  trans83.4133.6160.1-102.29.4000116.7
13E44.5Very low44.7Very low167 Ų167120.8 Ų120.878%0.7864%0.644SS**  cis-153.2120.24.4-73.2172.5129.300107.6
14S35.2Very low45.9Very low100 Ų100118.5 Ų118.570%0.69963%0.627SS**  trans-146.651.1152.272.10000108.4Y16S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.39Å
15Q39.9Very low46.7Very low172 Ų172117.2 Ų117.280%0.80461%0.612SS**  trans-70.797.9165.9-92.3177.6-2600107.1D17Q15-D17 PolarHBondContact O-N 3.15Å; Q15-D17 VanDerWaalsContact O-N 3.08Å
16Y43.2Very low47.7Very low206 Ų206108.3 Ų108.381%0.80858%0.583SS**  trans-60109.6156.7-67.6-86.7000106S14 S18S14-Y16 VanDerWaalsContact C-N 3.34Å; S14-Y16 PolarHBondContact O-N 3.39Å; Y16-S18 PolarHBondContact O-N 2.9Å
17D46.7Very low48.6Very low116 Ų116105.1 Ų105.162%0.6257%0.565SS**  trans-56109.5178.8-178.10.1000108.6Q15 G19Q15-D17 PolarHBondContact O-N 3.15Å; Q15-D17 VanDerWaalsContact O-N 3.08Å; D17-G19 PolarHBondContact O-N 3.19Å; D17-G19 VanDerWaalsContact O-N 3.13Å; D17-G19 PolarHBondContact OD1-N 3.34Å
18S59.8Low49.1Very low54 Ų54106.4 Ų106.438%0.37857%0.565SS.*  trans-73.73.3-178.9690000112.8Y16 I20Y16-S18 PolarHBondContact O-N 2.9Å; S18-I20 PolarHBondContact O-N 3.38Å; S18-I20 VanDerWaalsContact O-N 3.14Å; S18-I20 WeakPolarHBondContact OG-CB 3.39Å; S18-I20 VanDerWaalsContact OG-CD1 3.29Å; S18-I20 WeakPolarHBondContact OG-CD1 3.34Å; S18-I20 WeakPolarHBondContact OG-CG1 3.42Å
19G59.9Low49.1Very low21 Ų21107.4 Ų107.422%0.21656%0.563CS.*SBendtrans72.8-3.6-175.400000113.5D17 E21 S22 L23D17-G19 PolarHBondContact O-N 3.19Å; D17-G19 VanDerWaalsContact O-N 3.13Å; D17-G19 PolarHBondContact OD1-N 3.34Å; G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 3.49Å; G19-S22 WeakPolarHBondContact O-CB 3.41Å; G19-S22 PolarHBondContact O-N 3.06Å; G19-S22 VanDerWaalsContact O-N 3.14Å; G19-L23 PolarHBondContact O-N 3.48Å
20I61.4Low49Very low20 Ų20105.4 Ų105.410%0.10356%0.559CS.*Hα-helixtrans-62.8-33-179.9-72.1177.6000111.6S18 S22 L23 R24 I116 I150S18-I20 PolarHBondContact O-N 3.38Å; S18-I20 VanDerWaalsContact O-N 3.14Å; S18-I20 WeakPolarHBondContact OG-CB 3.39Å; S18-I20 VanDerWaalsContact OG-CD1 3.29Å; S18-I20 WeakPolarHBondContact OG-CD1 3.34Å; S18-I20 WeakPolarHBondContact OG-CG1 3.42Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-L23 PolarHBondContact O-N 3.48Å; I20-R24 PolarHBondContact O-N 2.98Å; I20-I116 HydrophobicContact CB-CD1 4.24Å; I20-I116 HydrophobicContact CD1-CD1 4.34Å; I20-I116 HydrophobicContact CG1-CD1 4.04Å; I20-I116 HydrophobicContact CG2-CD1 3.45Å; I20-I116 VanDerWaalsContact CG2-CD1 3.45Å; I20-I150 HydrophobicContact CG1-CG2 3.95Å
21E59.1Low49.1Very low122 Ų122105 Ų10557%0.5756%0.557SS**Hα-helixtrans-70.7-30177.3-64.3-163.9163.200112.8G19 L23 R24 S25G19-E21 VanDerWaalsContact C-N 3.27Å; G19-E21 PolarHBondContact O-N 3.49Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.25Å; E21-R24 PolarHBondContact O-N 2.73Å; E21-S25 WeakPolarHBondContact O-CB 3.48Å; E21-S25 PolarHBondContact O-N 3.31Å; E21-S25 PolarHBondContact O-OG 2.94Å
22S61.6Low48.9Very low77 Ų77107.4 Ų107.454%0.53857%0.566SS.*Hα-helixtrans-65-36.5173.4-69.50000111.8G19 I20 S25G19-S22 WeakPolarHBondContact O-CB 3.41Å; G19-S22 PolarHBondContact O-N 3.06Å; G19-S22 VanDerWaalsContact O-N 3.14Å; I20-S22 VanDerWaalsContact C-N 3.34Å; S22-S25 PolarHBondContact O-N 2.96Å
23L60.4Low48.3Very low4 Ų4107.7 Ų107.72%0.02157%0.573CS.*Hα-helixtrans-66.9-42.2171.9-91.5-173.4000113G19 I20 E21 S25 L26 T122 V147 I150G19-L23 PolarHBondContact O-N 3.48Å; I20-L23 PolarHBondContact O-N 3.48Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.25Å; L23-S25 PolarHBondContact O-N 3.15Å; L23-L26 HydrophobicContact CD2-CD1 3.88Å; L23-L26 WeakPolarHBondContact O-CB 3.25Å; L23-L26 PolarHBondContact O-N 3.34Å; L23-T122 HydrophobicContact CD1-CG2 4.27Å; L23-V147 HydrophobicContact CD1-CG1 4.07Å; L23-V147 HydrophobicContact CD2-CB 4.28Å; L23-V147 HydrophobicContact CD2-CG1 4.02Å; L23-V147 HydrophobicContact CD2-CG2 3.3Å; L23-V147 HydrophobicContact CG-CG1 4.39Å; L23-V147 HydrophobicContact CG-CG2 4.02Å; L23-I150 HydrophobicContact CB-CD1 4.46Å; L23-I150 HydrophobicContact CD1-CD1 3.21Å; L23-I150 HydrophobicContact CG-CD1 3.5Å
24R61.6Low47.8Very low145 Ų145105.4 Ų105.455%0.54758%0.575SS.*Hα-helixtrans-65.7-29.6177.8-68.6-178.8-175.51391.5111.6I20 E21 L26 R27I20-R24 PolarHBondContact O-N 2.98Å; E21-R24 PolarHBondContact O-N 2.73Å; R24-L26 VanDerWaalsContact C-N 3.29Å; R24-L26 PolarHBondContact O-N 2.85Å; R24-R27 VanDerWaalsContact O-CB 3.25Å; R24-R27 WeakPolarHBondContact O-CB 3.37Å; R24-R27 PolarHBondContact O-N 3.43Å; R24-R27 VanDerWaalsContact O-N 3.08Å
25S57.6Low47.4Very low67 Ų67105.1 Ų105.147%0.46958%0.579SS.*Hα-helixtrans-69.6-19.8175.6-60.10000113.9E21 S22 L23 R27 S28E21-S25 WeakPolarHBondContact O-CB 3.48Å; E21-S25 PolarHBondContact O-N 3.31Å; E21-S25 PolarHBondContact O-OG 2.94Å; S22-S25 PolarHBondContact O-N 2.96Å; L23-S25 PolarHBondContact O-N 3.15Å; S25-R27 PolarHBondContact O-N 3.03Å; S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact O-OG 3.37Å
26L57.3Low47.2Very low66 Ų66103.1 Ų103.135%0.34658%0.581SS.*THydrogen-bonded Turntrans-64.2-16.9168.4-67.5172.3000112.6L23 R24 P144L23-L26 HydrophobicContact CD2-CD1 3.88Å; L23-L26 WeakPolarHBondContact O-CB 3.25Å; L23-L26 PolarHBondContact O-N 3.34Å; R24-L26 VanDerWaalsContact C-N 3.29Å; R24-L26 PolarHBondContact O-N 2.85Å; L26-P144 HydrophobicContact CD1-CG 4.47Å
27R53.4Low46.6Very low140 Ų14098.2 Ų98.253%0.52858%0.583SS.*THydrogen-bonded Turntrans-81.4-11.5175.2-59.8-178.6174.5-169.2-3.7113.8R24 S25 T114R24-R27 VanDerWaalsContact O-CB 3.25Å; R24-R27 WeakPolarHBondContact O-CB 3.37Å; R24-R27 PolarHBondContact O-N 3.43Å; R24-R27 VanDerWaalsContact O-N 3.08Å; S25-R27 PolarHBondContact O-N 3.03Å; R27-T114 HydrophobicContact CG-CG2 4.5Å; R27-T114 PolarHBondContact NE-OG1 2.92Å; R27-T114 PolarHBondContact NH2-OG1 3.13Å
28S44.3Very low45.8Very low90 Ų9098.4 Ų98.463%0.62959%0.593SS**  trans-107.111.6-169.458.60000115.5S25S25-S28 PolarHBondContact O-N 2.97Å; S25-S28 VanDerWaalsContact O-N 3.15Å; S25-S28 PolarHBondContact O-OG 3.37Å
29L35.8Very low44.2Very low136 Ų13699.4 Ų99.471%0.71261%0.612SS**SBendtrans-66.6133.4169.5-79163.8000110.4E31L29-E31 PolarHBondContact O-N 3.14Å
30P35.3Very low43.7Very low118 Ų118104.7 Ų104.777%0.76664%0.642SS**PPolyproline II helixtrans-67131-173.225-31.2000111.1
31E36.1Very low42.2Very low175 Ų175108.8 Ų108.882%0.81867%0.673SS**PPolyproline II helixtrans-55.7142.7166.6-65.4-168.8145.500110L29 T33L29-E31 PolarHBondContact O-N 3.14Å; E31-T33 PolarHBondContact O-N 3.48Å
32P33.9Very low40.8Very low127 Ų127110.8 Ų110.883%0.82569%0.687SS**  trans-61.8113.1172.125.8-31.2000108.6S34P32-S34 PolarHBondContact O-N 3.27Å; P32-S34 VanDerWaalsContact O-N 3.14Å
33T27.9Very low39.2Very low139 Ų139110.8 Ų110.885%0.85370%0.7SS**  trans-51114.9-179.249.90000111.3E31E31-T33 PolarHBondContact O-N 3.48Å
34S33Very low37.8Very low119 Ų119116.2 Ų116.283%0.83274%0.738SS**PPolyproline II helixtrans-75.1119.5163.749.60000109P32P32-S34 PolarHBondContact O-N 3.27Å; P32-S34 VanDerWaalsContact O-N 3.14Å
35A28.2Very low36.6Very low93 Ų93115.3 Ų115.377%0.76975%0.751SS**PPolyproline II helixtrans-78.1153.4173.100000110.8
36P34.5Very low35.3Very low130 Ų130120.8 Ų120.884%0.84477%0.769SS**PPolyproline II helixtrans-86.2164.7-159.134.3-34.4000114.8
37A30.2Very low34.4Very low103 Ų103122.4 Ų122.485%0.85178%0.784SS**PPolyproline II helixtrans-65.6154.4-174.400000116.3
38S30.1Very low33.1Very low121 Ų121120.7 Ų120.785%0.84679%0.792SS**  trans-143.9115.115550.70000109.1
39G27.1Very low32.3Very low75 Ų75122.6 Ų122.677%0.77380%0.8SS**  trans-85.3-156.3171.500000112.4
40P48Very low31.9Very low131 Ų131124.7 Ų124.785%0.85181%0.806SS**  cis-132.4173.8-13.239.2-22.4000113.5
41S30.2Very low32.3Very low106 Ų106124.5 Ų124.574%0.74181%0.805SS**  trans-172.7127.6138.7-127.30000113.8
42D29.5Very low32.7Very low164 Ų164122 Ų12288%0.87780%0.803SS**  trans43.2131.5143.5-67.8-39.2000124.1
43G29.4Very low32.4Very low78 Ų78119.1 Ų119.180%0.80480%0.797SS**  trans142.476.814500000116.4
44S30.3Very low33Very low118 Ų118119 Ų11983%0.82580%0.799SS**  trans-70.1159.8156.2-25.60000109.7
45P36.4Very low32.9Very low126 Ų126117.5 Ų117.582%0.81879%0.794SS**  cis-140160.144.133.9-11.7000117.7
46Q30.5Very low33.1Very low181 Ų181123 Ų12385%0.84680%0.8SS**  trans-66.7-170.6164.5-64.9-160.9-35.600112.1
47P39.3Very low33Very low101 Ų101125.6 Ų125.666%0.65680%0.801SS**  cis-137.7172.6325.13.2000113.5
48C25.1Very low33.5Very low103 Ų103125.7 Ų125.770%0.69679%0.793SS**  174.3125.584.9-87.20000111.6
49T27.5Very low33.4Very low131 Ų131127.5 Ų127.580%0.80479%0.789SS**  52.6114.1126.666.80000122
50H26.5Very low33.5Very low180 Ų180132.3 Ų132.383%0.83379%0.791SS**  trans-57.8-178.8144.1-72.3-67.6000113.1
51P44.9Very low32.8Very low114 Ų114136 Ų13674%0.7479%0.793SS**  cis-135.8-139-27.731-5.9000109.4
52P43.8Very low32.9Very low121 Ų121139 Ų13979%0.78680%0.796SS**  cis-123-177.5-37.822.41.4000113.5
53G28.4Very low32.9Very low68 Ų68138.5 Ų138.570%0.70179%0.793SS**  trans-63.5-174.4175.700000116.3
54P40.9Very low33Very low135 Ų135138.7 Ų138.788%0.87779%0.787SS**  -149.8171.881.337.3-17.4000116.9
55A29.9Very low33.1Very low89 Ų89141 Ų14174%0.73679%0.79SS**  trans-42153.9173.900000118.2
56K32Very low32.9Very low208 Ų208138.4 Ų138.490%0.90479%0.786SS**  trans-172.9104.5132.3-103.8172.4-176.7-175.60111.4
57E32.3Very low33.2Very low184 Ų184138.7 Ų138.786%0.8679%0.787SS**  trans-82.9156.7140.2-78.3-168.7148.700107.6
58P41.3Very low32.8Very low106 Ų106145.1 Ų145.169%0.68880%0.798SS**  -152.6149.980.537.3-15.5000118
59Q28.3Very low33.3Very low159 Ų159143.7 Ų143.774%0.74379%0.794SS**  62.9121.3129.1-65.1175.1-29.700123
60Q30.1Very low33.4Very low175 Ų175144.5 Ų144.582%0.81879%0.794SS**  61.9122.2125.5-63.8178.1-11.700120.8
61K31.4Very low33.7Very low208 Ų208141 Ų14190%0.90479%0.789SS**  -160.2141.9126.1-126.6177.9179.7-176.70113.5
62E32.5Very low33.1Very low169 Ų169141.8 Ų141.879%0.7979%0.792SS**  trans-72.5152.6-179.8-60.9159.913800112.7
63D30.4Very low32.6Very low154 Ų154147.5 Ų147.582%0.82480%0.8SS**  154.6131.5115.2-86.7-32.4000114.7
64A32.2Very low32.8Very low82 Ų82147.4 Ų147.468%0.67880%0.799SS**  trans59.3123.2137.700000124.3
65D32.3Very low32.4Very low168 Ų168147 Ų14790%0.89880%0.799SS**  trans64.2129.4132.8-65.7-37.4000123.6
66G32.4Very low32.5Very low70 Ų70149 Ų14972%0.72281%0.807SS**  108.991.4126.600000119.8
67E34.8Very low32.4Very low188 Ų188143.5 Ų143.588%0.87980%0.796SS**  trans57117136-58.4-157.4143.200123.6
68R32.1Very low32.3Very low235 Ų235143.1 Ų143.189%0.88780%0.798SS**  99.2115.7122-159.5168-165.8175.55.2121.3
69A35.4Very low31.8Very low73 Ų73143.6 Ų143.660%0.60380%0.8SS**  trans86.4125.6136.800000122.9
70D29.8Very low31.9Very low149 Ų149145.4 Ų145.480%0.79781%0.808SS**  trans70.4103.1140.9-55.5-14.3000119.9
71S33.5Very low31.8Very low105 Ų105142.2 Ų142.273%0.73481%0.805SS**  156.7131.182.945.30000113
72T32.1Very low31.8Very low132 Ų132140.4 Ų140.481%0.8181%0.805SS**  trans48119.4148.3450000120.9
73Y32.5Very low31.6Very low240 Ų240137.8 Ų137.894%0.94181%0.805SS**  170.3130.4104.3-161.6-106.9000111.7
74G33.2Very low31.4Very low66 Ų66138.9 Ų138.968%0.6881%0.809SS**  trans83.785.9153.300000118.2
75S32.2Very low31.3Very low127 Ų127143.9 Ų143.989%0.88882%0.824SS**  trans-129.8124.6155.5-750000110.1
76S32.5Very low31.1Very low130 Ų130139.4 Ų139.491%0.90982%0.818SS**  trans-68.4136.8-175.3-54.30000111.7
77S30.3Very low30.8Very low94 Ų94139.5 Ų139.566%0.65782%0.819SS**  trans-74.5133.1176.5-167.20000111.3
78L29.6Very low31.1Very low175 Ų175136.4 Ų136.492%0.91682%0.815SS**  trans-137.379.8151.8-79.4178.9000108.5
79T30.3Very low30.9Very low116 Ų116135 Ų13571%0.71282%0.819SS**  trans-109.2102.1156.539.30000106.3
80E31.3Very low31.1Very low198 Ų198136.1 Ų136.193%0.92583%0.827SS**  trans-93.597.3164.5-109-176.2160.500107.8
81S26.5Very low31.3Very low108 Ų108138 Ų13876%0.75583%0.831SS**  trans-103.4120.7161.7-68.40000108.6
82L32.2Very low31.3Very low170 Ų170140.3 Ų140.389%0.8984%0.836SS**  trans2.5124.5148.6-67.4162.2000116.9
83S28.5Very low31.4Very low113 Ų113139.8 Ų139.879%0.7983%0.834SS**  trans-160.4108.4145.1-76.80000110.5
84L26.7Very low31.7Very low177 Ų177132.5 Ų132.593%0.92782%0.824SS**  -160.6100.4120.6-131.386.9000109.7
85L29.9Very low31.9Very low187 Ų187135.2 Ų135.298%0.97983%0.829SS**  trans-99.5116.5162.5-152.289.9000107
86G26.6Very low32.1Very low75 Ų75140.4 Ų140.477%0.77383%0.829SS**  trans-143.5109163.600000107.5
87G26.4Very low32.3Very low72 Ų72139.8 Ų139.874%0.74282%0.823SS**  trans-93.5-165.3169.600000111
88P42.4Very low32.4Very low123 Ų123140.4 Ų140.480%0.79982%0.824SS**  cis-130.7124.1-33.833.1-16.3000110.3
89E27.3Very low32.8Very low206 Ų206139.4 Ų139.496%0.96382%0.819SS**  trans-146.3142159.2-77-156.9123.700110.7
90A40.3Very low33Very low95 Ų95139.7 Ų139.779%0.78582%0.823SS**  trans-61.3147.4-174.600000112.7
91E32.5Very low33.2Very low189 Ų189138.4 Ų138.488%0.88382%0.816SS**  trans172.2127.1132.3-81.2-107116.500110.2
92D33.5Very low34Very low154 Ų154139.6 Ų139.682%0.82482%0.819SS**  trans42.8130.6161.1-121.93.8000122.5A94D92-A94 PolarHBondContact O-N 3.08Å
93P35.3Very low34.7Very low120 Ų120134 Ų13478%0.77980%0.802SS**PPolyproline II helixtrans-79.2118-179.832.3-27.4000111.2
94A37.3Very low36.2Very low87 Ų87133.6 Ų133.672%0.71981%0.806SS**PPolyproline II helixtrans-58149167.700000111.7D92 R96D92-A94 PolarHBondContact O-N 3.08Å; A94-R96 PolarHBondContact O-N 3.41Å
95P37.4Very low37.9Very low123 Ų123127.9 Ų127.980%0.79978%0.776SS**PPolyproline II helixtrans-62.4139.1-175.125.3-32.3000110.9
96R36.8Very low40.2Very low236 Ų236121 Ų12189%0.89174%0.743SS**PPolyproline II helixtrans-48139.6176.5-63176.9-169.4164.13.1110A94A94-R96 PolarHBondContact O-N 3.41Å
97P36.2Very low42.3Very low118 Ų118122.7 Ų122.777%0.76674%0.741SS**PPolyproline II helixtrans-58.3139.3173.925.3-31.6000108.9L99P97-L99 PolarHBondContact O-N 3.19Å
98P33.9Very low44.5Very low107 Ų107126.6 Ų126.670%0.69574%0.74SS**PPolyproline II helixtrans-59.3136.5178.324-30.2000108.8
99L37.8Very low45.9Very low154 Ų154125.5 Ų125.581%0.80672%0.724SS**PPolyproline II helixtrans-47.7139.5167-70.6161.5000108.1P97 H101P97-L99 PolarHBondContact O-N 3.19Å; L99-H101 PolarHBondContact O-N 3.37Å
100P34.2Very low48Very low121 Ų121118.8 Ų118.879%0.78669%0.694SS**PPolyproline II helixtrans-55.2119.5-177.522-30.6000108.5V102P100-V102 PolarHBondContact O-N 3.2Å
101H35.7Very low49.8Very low171 Ų171120.2 Ų120.279%0.79269%0.685SS**PPolyproline II helixtrans-52.2128.3170.2-79.5-79.5000107.6L99 G103L99-H101 PolarHBondContact O-N 3.37Å; H101-G103 PolarHBondContact O-N 2.82Å
102V42.6Very low51.8Low133 Ų133113.7 Ų113.781%0.80666%0.663SS**  trans-62.487.1170.1-178.90000106.6P100P100-V102 PolarHBondContact O-N 3.2Å
103G46.8Very low53.8Low52 Ų52107.2 Ų107.254%0.53663%0.628SS.*PPolyproline II helixtrans-59.9140.7169.300000108.1H101 L105H101-G103 PolarHBondContact O-N 2.82Å; G103-L105 PolarHBondContact O-N 2.77Å
104A60Low56Low106 Ų106101.9 Ų101.988%0.87659%0.594SS**PPolyproline II helixtrans-50.4119.7172.700000108.5S106A104-S106 PolarHBondContact O-N 2.69Å
105L63.4Low58.4Low57 Ų57103.3 Ų103.330%0.29858%0.581SS.*PPolyproline II helixtrans-55138.8179.6-72161.7000109G103 Q109 L110 L113 L142G103-L105 PolarHBondContact O-N 2.77Å; L105-Q109 HydrophobicContact CB-CB 4.29Å; L105-Q109 HydrophobicContact CD2-CB 4.14Å; L105-L110 HydrophobicContact CD1-CD1 4.43Å; L105-L113 HydrophobicContact CD1-CD1 3.72Å; L105-L113 HydrophobicContact CD2-CD1 4.43Å; L105-L142 HydrophobicContact CD1-CD2 4.47Å; L105-L142 HydrophobicContact CD2-CD1 4Å; L105-L142 HydrophobicContact CD2-CD2 4.06Å
106S77Confident60.9Low42 Ų4299.2 Ų99.229%0.29455%0.552SS.*PPolyproline II helixtrans-63.9154.8174.780.50000110.1A104 Q108 Q109 L110A104-S106 PolarHBondContact O-N 2.69Å; S106-Q108 PolarHBondContact O-N 2.71Å; S106-Q108 VanDerWaalsContact O-N 3.15Å; S106-Q109 WeakPolarHBondContact O-CB 3.36Å; S106-Q109 PolarHBondContact O-N 3.19Å; S106-Q109 WeakPolarHBondContact OG-CG 3.46Å; S106-Q109 PolarHBondContact OG-N 3.21Å; S106-Q109 PolarHBondContact OG-OE1 3.17Å; S106-L110 PolarHBondContact O-N 2.67Å
107P71.7Confident63.6Low111 Ų11188.9 Ų88.972%0.72152%0.516SS*.Hα-helixtrans-54.9-36.7179.1-2330.7000112.7L110 E111P107-L110 PolarHBondContact O-N 3.39Å; P107-E111 PolarHBondContact O-N 3Å
108Q73.1Confident66.3Low153 Ų15392.2 Ų92.272%0.71552%0.522SS*.Hα-helixtrans-67.6-36.6177.3-66.4169-5.400112.4S106 E111 A112S106-Q108 PolarHBondContact O-N 2.71Å; S106-Q108 VanDerWaalsContact O-N 3.15Å; Q108-E111 PolarHBondContact O-N 3.38Å; Q108-A112 WeakPolarHBondContact O-CB 3.41Å; Q108-A112 PolarHBondContact O-N 3.13Å
109Q71.7Confident69Low100 Ų10092.2 Ų92.247%0.46752%0.516SS..Hα-helixtrans-68.3-39.4174.9-71.7171.6-36.400111L105 S106 E111 A112 L113L105-Q109 HydrophobicContact CB-CB 4.29Å; L105-Q109 HydrophobicContact CD2-CB 4.14Å; S106-Q109 WeakPolarHBondContact O-CB 3.36Å; S106-Q109 PolarHBondContact O-N 3.19Å; S106-Q109 WeakPolarHBondContact OG-CG 3.46Å; S106-Q109 PolarHBondContact OG-N 3.21Å; S106-Q109 PolarHBondContact OG-OE1 3.17Å; Q109-E111 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 3.44Å; Q109-L113 WeakPolarHBondContact O-CB 3.33Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 3.45Å
110L71.6Confident71.7Confident66 Ų6685 Ų8535%0.34648%0.479SS..Hα-helixtrans-67.1-36.7176.4-159.272000111.9L105 S106 P107 L113 T114L105-L110 HydrophobicContact CD1-CD1 4.43Å; S106-L110 PolarHBondContact O-N 2.67Å; P107-L110 PolarHBondContact O-N 3.39Å; L110-L113 PolarHBondContact O-N 2.96Å; L110-T114 WeakPolarHBondContact O-CG2 3.36Å; L110-T114 PolarHBondContact O-N 3.4Å; L110-T114 VanDerWaalsContact O-N 3.13Å; L110-T114 PolarHBondContact O-OG1 3.15Å
111E77.7Confident74.6Confident125 Ų12579.9 Ų79.958%0.58445%0.445SS*.Hα-helixtrans-63.3-47.4173.5-173172-160.600111.6P107 Q108 Q109 L113 T114 Y115P107-E111 PolarHBondContact O-N 3Å; Q108-E111 PolarHBondContact O-N 3.38Å; Q109-E111 VanDerWaalsContact C-N 3.34Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.42Å; E111-T114 PolarHBondContact O-N 3.03Å; E111-T114 PolarHBondContact O-OG1 2.99Å; E111-Y115 PolarHBondContact O-N 3.35Å
112A74.3Confident77.3Confident52 Ų5271.9 Ų71.943%0.4341%0.408SS..Hα-helixtrans-62.3-38.2176.500000112.7Q108 Q109 T114 Y115Q108-A112 WeakPolarHBondContact O-CB 3.41Å; Q108-A112 PolarHBondContact O-N 3.13Å; Q109-A112 PolarHBondContact O-N 3.44Å; A112-T114 VanDerWaalsContact C-N 3.3Å; A112-T114 PolarHBondContact O-N 3.47Å; A112-Y115 VanDerWaalsContact O-CB 3.28Å; A112-Y115 WeakPolarHBondContact O-CB 3.04Å; A112-Y115 PolarHBondContact O-N 3.23Å
113L76.4Confident79.8Confident17 Ų1767.6 Ų67.69%0.08938%0.381CS..Hα-helixtrans-70.5-23.2178.3-74.5171.8000113.6L105 Q109 L110 E111 L123 L142 L143L105-L113 HydrophobicContact CD1-CD1 3.72Å; L105-L113 HydrophobicContact CD2-CD1 4.43Å; Q109-L113 WeakPolarHBondContact O-CB 3.33Å; Q109-L113 WeakPolarHBondContact O-CG 3.29Å; Q109-L113 PolarHBondContact O-N 3.45Å; L110-L113 PolarHBondContact O-N 2.96Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.42Å; L113-L123 HydrophobicContact CD2-CD2 4.13Å; L113-L142 HydrophobicContact CD1-CB 4.22Å; L113-L142 HydrophobicContact CD1-CD1 4.21Å; L113-L142 HydrophobicContact CD2-CD1 4.48Å; L113-L143 HydrophobicContact CB-CD2 4.06Å; L113-L143 HydrophobicContact CD2-CD1 4.43Å; L113-L143 HydrophobicContact CD2-CD2 4.04Å; L113-L143 HydrophobicContact CD2-CG 4.15Å; L113-L143 HydrophobicContact CG-CD2 4.46Å
114T81.1Confident82.1Confident9 Ų965.2 Ų65.26%0.05536%0.355CS..THydrogen-bonded Turntrans-9910.3176.755.50000112.9R27 L110 E111 A112R27-T114 HydrophobicContact CG-CG2 4.5Å; R27-T114 PolarHBondContact NE-OG1 2.92Å; R27-T114 PolarHBondContact NH2-OG1 3.13Å; L110-T114 WeakPolarHBondContact O-CG2 3.36Å; L110-T114 PolarHBondContact O-N 3.4Å; L110-T114 VanDerWaalsContact O-N 3.13Å; L110-T114 PolarHBondContact O-OG1 3.15Å; E111-T114 PolarHBondContact O-N 3.03Å; E111-T114 PolarHBondContact O-OG1 2.99Å; A112-T114 VanDerWaalsContact C-N 3.3Å; A112-T114 PolarHBondContact O-N 3.47Å
115Y86.6Confident83.8Confident116 Ų11660.1 Ų60.146%0.45531%0.314SS..  trans-66.3138.7177.2179-94.9000111.7E111 A112 L126E111-Y115 PolarHBondContact O-N 3.35Å; A112-Y115 VanDerWaalsContact O-CB 3.28Å; A112-Y115 WeakPolarHBondContact O-CB 3.04Å; A112-Y115 PolarHBondContact O-N 3.23Å; Y115-L126 HydrophobicContact CD1-CD1 4.01Å; Y115-L126 HydrophobicContact CE1-CD1 3.79Å
116I90.6Very high85.4Confident37 Ų3759.2 Ų59.219%0.1931%0.309CS..BIsolated β-bridgetrans-133.6128.5174.4-58.1176.2000106.8I20 D121I20-I116 HydrophobicContact CB-CD1 4.24Å; I20-I116 HydrophobicContact CD1-CD1 4.34Å; I20-I116 HydrophobicContact CG1-CD1 4.04Å; I20-I116 HydrophobicContact CG2-CD1 3.45Å; I20-I116 VanDerWaalsContact CG2-CD1 3.45Å; I116-D121 WeakPolarHBondContact CA-O 3.2Å
117S93.1Very high86.3Confident20 Ų2057.5 Ų57.514%0.1430%0.297CS..  trans-72173.3177.9810000112.2D119 G120 D121S117-D119 PolarHBondContact O-N 3.34Å; S117-D119 PolarHBondContact OG-N 3.43Å; S117-D119 VanDerWaalsContact OG-N 3.13Å; S117-G120 PolarHBondContact O-N 3.14Å; S117-G120 PolarHBondContact OG-N 3.2Å; S117-D121 PolarHBondContact N-O 3Å; S117-D121 WeakPolarHBondContact OG-CB 3.38Å; S117-D121 PolarHBondContact OG-N 2.9Å
118E92.3Very high87.6Confident187 Ų18752.2 Ų52.287%0.87426%0.263SS*.THydrogen-bonded Turntrans-61.2-29.9171.9-60.2-175.1171.800112.2G120 N153E118-G120 PolarHBondContact O-N 3.33Å; E118-N153 PolarHBondContact O-ND2 3.25Å
119D92.1Very high88.7Confident107 Ų10748 Ų4857%0.57224%0.244SC*.THydrogen-bonded Turntrans-82.51176.7-61.1-52.6000113.2S117 D121 N153S117-D119 PolarHBondContact O-N 3.34Å; S117-D119 PolarHBondContact OG-N 3.43Å; S117-D119 VanDerWaalsContact OG-N 3.13Å; D119-D121 VanDerWaalsContact C-N 3.34Å; D119-N153 VanDerWaalsContact C-CG 3.45Å; D119-N153 WeakPolarHBondContact CA-ND2 3.46Å; D119-N153 VanDerWaalsContact O-CB 3.26Å; D119-N153 WeakPolarHBondContact O-CB 3.44Å; D119-N153 PolarHBondContact O-N 3.43Å; D119-N153 PolarHBondContact O-ND2 3.18Å
120G93.2Very high89.9Confident3 Ų349.8 Ų49.83%0.03125%0.253CS..  trans82.210.6-177.800000113.9S117 E118 T122S117-G120 PolarHBondContact O-N 3.14Å; S117-G120 PolarHBondContact OG-N 3.2Å; E118-G120 PolarHBondContact O-N 3.33Å; G120-T122 PolarHBondContact O-N 3.15Å
121D95.1Very high91.1Very high14 Ų1452.9 Ų52.98%0.07527%0.265CS..  trans-77.7121.2-179.4-67.3-45.5000111I116 S117 D119 H125 L126 N152I116-D121 WeakPolarHBondContact CA-O 3.2Å; S117-D121 PolarHBondContact N-O 3Å; S117-D121 WeakPolarHBondContact OG-CB 3.38Å; S117-D121 PolarHBondContact OG-N 2.9Å; D119-D121 VanDerWaalsContact C-N 3.34Å; D121-H125 HydrophobicContact CB-CB 3.68Å; D121-H125 IonicContact OD1-CD2 3.8Å; D121-H125 IonicContact OD1-CG 3.79Å; D121-L126 HydrophobicContact CB-CD2 3.95Å; D121-L126 HydrophobicContact CB-CG 4.15Å; D121-N152 WeakPolarHBondContact OD1-CB 3.41Å; D121-N152 PolarHBondContact OD1-ND2 3.38Å
122T93.9Very high92Very high3 Ų348.2 Ų48.22%0.01825%0.248CC..BIsolated β-bridgetrans-70169.3168.272.50000110.9L23 G120 V124 H125 L126 I150L23-T122 HydrophobicContact CD1-CG2 4.27Å; G120-T122 PolarHBondContact O-N 3.15Å; T122-V124 PolarHBondContact O-N 3.34Å; T122-V124 VanDerWaalsContact O-N 3.08Å; T122-V124 PolarHBondContact OG1-N 3.28Å; T122-H125 PolarHBondContact N-ND1 2.88Å; T122-H125 WeakPolarHBondContact O-CB 3.36Å; T122-H125 PolarHBondContact O-N 3.48Å; T122-H125 PolarHBondContact OG1-N 3.08Å; T122-H125 PolarHBondContact OG1-ND1 3.2Å; T122-L126 PolarHBondContact O-N 2.98Å; T122-L126 VanDerWaalsContact O-N 3.09Å; T122-I150 HydrophobicContact CG2-CB 4.1Å; T122-I150 HydrophobicContact CG2-CD1 4.25Å; T122-I150 HydrophobicContact CG2-CG2 3.75Å
123L93.5Very high93Very high43 Ų4350 Ų5023%0.22526%0.255CS..Hα-helixtrans-54.2-33171.8-167.665.1000114.1L113 L126 A127L113-L123 HydrophobicContact CD2-CD2 4.13Å; L123-L126 PolarHBondContact O-N 3.48Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 3.36Å
124V95.3Very high93.8Very high1 Ų152.7 Ų52.71%0.00628%0.28CS..Hα-helixtrans-64.7-44.9175.2-170.10000112.1T122 A127 V128 L136 C139 L143 L148 A158 L174T122-V124 PolarHBondContact O-N 3.34Å; T122-V124 VanDerWaalsContact O-N 3.08Å; T122-V124 PolarHBondContact OG1-N 3.28Å; V124-A127 PolarHBondContact O-N 2.96Å; V124-V128 WeakPolarHBondContact O-CG2 3.5Å; V124-V128 PolarHBondContact O-N 2.95Å; V124-L136 HydrophobicContact CG1-CD1 3.76Å; V124-C139 HydrophobicContact CG2-CB 4.17Å; V124-L143 HydrophobicContact CG2-CD1 3.46Å; V124-L143 VanDerWaalsContact CG2-CD1 3.46Å; V124-L148 HydrophobicContact CG1-CD2 4.18Å; V124-L148 HydrophobicContact CG2-CD2 4.29Å; V124-A158 HydrophobicContact CB-CB 4.21Å; V124-A158 HydrophobicContact CG1-CB 3.6Å; V124-L174 HydrophobicContact CG1-CD2 3.99Å
125H96.8Very high94.4Very high0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-57.5-50.2173.5-66.186.4000110.5D121 T122 A127 V128 I129 I150 Q156 T157 A158 L161D121-H125 HydrophobicContact CB-CB 3.68Å; D121-H125 IonicContact OD1-CD2 3.8Å; D121-H125 IonicContact OD1-CG 3.79Å; T122-H125 PolarHBondContact N-ND1 2.88Å; T122-H125 WeakPolarHBondContact O-CB 3.36Å; T122-H125 PolarHBondContact O-N 3.48Å; T122-H125 PolarHBondContact OG1-N 3.08Å; T122-H125 PolarHBondContact OG1-ND1 3.2Å; H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.09Å; H125-V128 WeakPolarHBondContact O-CB 3.46Å; H125-V128 PolarHBondContact O-N 3.34Å; H125-V128 VanDerWaalsContact O-N 3.09Å; H125-I129 HydrophobicContact CB-CD1 4.49Å; H125-I129 VanDerWaalsContact O-CG1 3.29Å; H125-I129 WeakPolarHBondContact O-CG1 3.29Å; H125-I129 PolarHBondContact O-N 3.37Å; H125-I150 PolarHBondContact CE1-O 3.4Å; H125-I150 PolarHBondContact NE2-O 3.1Å; H125-Q156 PolarHBondContact NE2-O 3.4Å; H125-T157 VanDerWaalsContact NE2-C 3.26Å; H125-T157 WeakPolarHBondContact NE2-CA 3.43Å; H125-A158 PolarHBondContact CD2-N 2.82Å; H125-A158 PolarHBondContact NE2-N 3.25Å; H125-L161 HydrophobicContact CB-CD1 4.01Å
126L96.2Very high94.8Very high38 Ų3850.1 Ų50.120%0.19928%0.276CS..Hα-helixtrans-61.7-39.8179.9-63.2176.7000112.5Y115 D121 T122 L123 V128 I129 H130Y115-L126 HydrophobicContact CD1-CD1 4.01Å; Y115-L126 HydrophobicContact CE1-CD1 3.79Å; D121-L126 HydrophobicContact CB-CD2 3.95Å; D121-L126 HydrophobicContact CB-CG 4.15Å; T122-L126 PolarHBondContact O-N 2.98Å; T122-L126 VanDerWaalsContact O-N 3.09Å; L123-L126 PolarHBondContact O-N 3.48Å; L126-V128 PolarHBondContact O-N 3.22Å; L126-I129 HydrophobicContact CD2-CD1 4.37Å; L126-I129 PolarHBondContact O-N 2.84Å; L126-H130 WeakPolarHBondContact O-CB 3.34Å; L126-H130 PolarHBondContact O-CD2 3.14Å; L126-H130 PolarHBondContact O-N 2.84Å
127A96.4Very high95Very high6 Ų653.3 Ų53.35%0.0529%0.293CS..Hα-helixtrans-61.5-34.9176.200000112.3L123 V124 H125 E131 A132 V135 L136L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 3.36Å; V124-A127 PolarHBondContact O-N 2.96Å; H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.09Å; A127-E131 PolarHBondContact O-N 3.07Å; A127-A132 PolarHBondContact O-N 3.27Å; A127-V135 HydrophobicContact CB-CB 4.22Å; A127-V135 HydrophobicContact CB-CG1 3.98Å; A127-L136 HydrophobicContact CB-CB 4.04Å; A127-L136 HydrophobicContact CB-CD1 4.5Å
128V97.8Very high94.9Very high0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-73.9-47.4174.7171.40000111.3V124 H125 L126 H130 E131 L136 A158 L161 A162 L165 Q167 L174V124-V128 WeakPolarHBondContact O-CG2 3.5Å; V124-V128 PolarHBondContact O-N 2.95Å; H125-V128 WeakPolarHBondContact O-CB 3.46Å; H125-V128 PolarHBondContact O-N 3.34Å; H125-V128 VanDerWaalsContact O-N 3.09Å; L126-V128 PolarHBondContact O-N 3.22Å; V128-H130 VanDerWaalsContact C-N 3.29Å; V128-H130 PolarHBondContact O-N 3.12Å; V128-E131 PolarHBondContact O-N 2.93Å; V128-L136 HydrophobicContact CG2-CD1 4.08Å; V128-L136 HydrophobicContact CG2-CD2 4.14Å; V128-A158 HydrophobicContact CG2-CB 4.4Å; V128-L161 HydrophobicContact CG1-CB 3.93Å; V128-A162 VanDerWaalsContact CG1-CA 3.46Å; V128-A162 HydrophobicContact CG1-CB 3.77Å; V128-A162 HydrophobicContact CG2-CB 4.43Å; V128-L165 HydrophobicContact CG1-CD1 4.25Å; V128-Q167 PolarHBondContact O-NE2 3.5Å; V128-Q167 VanDerWaalsContact O-NE2 3.09Å; V128-L174 HydrophobicContact CG2-CD1 4.35Å
129I97.1Very high94.9Very high64 Ų6447.2 Ų47.233%0.32827%0.27SS..Hα-helixtrans-57.7-42.4179.3-68.4163.8000111.3H125 L126 E131 L161H125-I129 HydrophobicContact CB-CD1 4.49Å; H125-I129 VanDerWaalsContact O-CG1 3.29Å; H125-I129 WeakPolarHBondContact O-CG1 3.29Å; H125-I129 PolarHBondContact O-N 3.37Å; L126-I129 HydrophobicContact CD2-CD1 4.37Å; L126-I129 PolarHBondContact O-N 2.84Å; I129-E131 VanDerWaalsContact C-N 3.28Å; I129-E131 PolarHBondContact O-N 2.86Å; I129-L161 HydrophobicContact CD1-CD1 3.8Å; I129-L161 HydrophobicContact CG1-CD1 3.78Å
130H96.8Very high94.9Very high138 Ų13842.7 Ų42.764%0.63925%0.246SC*.THydrogen-bonded Turntrans-87.89.2179.9-67.7-64.7000114L126 V128 A132L126-H130 WeakPolarHBondContact O-CB 3.34Å; L126-H130 PolarHBondContact O-CD2 3.14Å; L126-H130 PolarHBondContact O-N 2.84Å; V128-H130 VanDerWaalsContact C-N 3.29Å; V128-H130 PolarHBondContact O-N 3.12Å; H130-A132 PolarHBondContact O-N 3.28Å
131E96.7Very high94.8Very high130 Ų13046.3 Ų46.361%0.60728%0.275SS*.THydrogen-bonded Turntrans50.743.2178.9-36.4-159.617500113.1A127 V128 I129 P133 Q167A127-E131 PolarHBondContact O-N 3.07Å; V128-E131 PolarHBondContact O-N 2.93Å; I129-E131 VanDerWaalsContact C-N 3.28Å; I129-E131 PolarHBondContact O-N 2.86Å; E131-P133 VanDerWaalsContact C-CD 3.47Å; E131-P133 WeakPolarHBondContact O-CD 3.25Å; E131-Q167 VanDerWaalsContact CG-NE2 3.28Å
132A96.7Very high94.4Very high28 Ų2849.3 Ų49.323%0.23129%0.291CS..  trans-104.279.1-174.100000110.9A127 H130 A134 V135 L136A127-A132 PolarHBondContact O-N 3.27Å; H130-A132 PolarHBondContact O-N 3.28Å; A132-A134 VanDerWaalsContact C-N 3.28Å; A132-A134 PolarHBondContact O-N 3.02Å; A132-V135 HydrophobicContact CB-CB 4Å; A132-V135 HydrophobicContact CB-CG2 3.96Å; A132-V135 PolarHBondContact O-N 3.41Å; A132-V135 VanDerWaalsContact O-N 3.08Å; A132-L136 PolarHBondContact O-N 2.77Å
133P94.6Very high94.1Very high89 Ų8949.7 Ų49.758%0.57829%0.293SS*.Hα-helixtrans-63.1-32.9-172.325.7-36.3000112.9E131 L136 L137E131-P133 VanDerWaalsContact C-CD 3.47Å; E131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-L136 PolarHBondContact O-N 3.42Å; P133-L137 WeakPolarHBondContact O-CB 3.22Å; P133-L137 VanDerWaalsContact O-CG 3.23Å; P133-L137 WeakPolarHBondContact O-CG 3.38Å; P133-L137 PolarHBondContact O-N 3.48Å
134A94Very high93.7Very high73 Ų7350.2 Ų50.260%0.60330%0.299SS*.Hα-helixtrans-64-43.7175.900000111.6A132 L137 C138A132-A134 VanDerWaalsContact C-N 3.28Å; A132-A134 PolarHBondContact O-N 3.02Å; A134-L137 PolarHBondContact O-N 3.43Å; A134-C138 WeakPolarHBondContact O-CB 3.28Å; A134-C138 PolarHBondContact O-N 3.32Å; A134-C138 PolarHBondContact O-SG 2.91Å
135V93.3Very high93.2Very high66 Ų6654.1 Ų54.140%0.432%0.317SS..Hα-helixtrans-66.6-43.6176.9-178.60000109.9A127 A132 L137 C138 C139A127-V135 HydrophobicContact CB-CB 4.22Å; A127-V135 HydrophobicContact CB-CG1 3.98Å; A132-V135 HydrophobicContact CB-CB 4Å; A132-V135 HydrophobicContact CB-CG2 3.96Å; A132-V135 PolarHBondContact O-N 3.41Å; A132-V135 VanDerWaalsContact O-N 3.08Å; V135-L137 PolarHBondContact O-N 3.39Å; V135-C138 PolarHBondContact O-N 3Å; V135-C139 WeakPolarHBondContact O-CB 3.5Å; V135-C139 PolarHBondContact O-N 2.88Å; V135-C139 PolarHBondContact O-SG 3.43Å
136L95.4Very high92.7Very high5 Ų560.6 Ų60.63%0.02635%0.347CS..Hα-helixtrans-57.1-50.5175.9179.360.7000111.1V124 A127 V128 A132 P133 C138 C139 L140 A170 L174V124-L136 HydrophobicContact CG1-CD1 3.76Å; A127-L136 HydrophobicContact CB-CB 4.04Å; A127-L136 HydrophobicContact CB-CD1 4.5Å; V128-L136 HydrophobicContact CG2-CD1 4.08Å; V128-L136 HydrophobicContact CG2-CD2 4.14Å; A132-L136 PolarHBondContact O-N 2.77Å; P133-L136 PolarHBondContact O-N 3.42Å; L136-C138 VanDerWaalsContact C-N 3.34Å; L136-C138 PolarHBondContact O-N 3.06Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.48Å; L136-C139 VanDerWaalsContact O-N 3.12Å; L136-L140 HydrophobicContact CD1-CD1 4.3Å; L136-L140 HydrophobicContact CD1-CD2 4.44Å; L136-L140 HydrophobicContact CD1-CG 4.18Å; L136-L140 HydrophobicContact CG-CD1 4.15Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 3Å; L136-A170 HydrophobicContact CD2-CB 3.56Å; L136-L174 HydrophobicContact CD1-CD2 4.41Å
137L94.4Very high92.3Very high104 Ų10459.1 Ų59.155%0.54534%0.34SS..Hα-helixtrans-62.3-39.6179.3-71172.8000112.4P133 A134 V135 L140 A141 A173P133-L137 WeakPolarHBondContact O-CB 3.22Å; P133-L137 VanDerWaalsContact O-CG 3.23Å; P133-L137 WeakPolarHBondContact O-CG 3.38Å; P133-L137 PolarHBondContact O-N 3.48Å; A134-L137 PolarHBondContact O-N 3.43Å; V135-L137 PolarHBondContact O-N 3.39Å; L137-L140 PolarHBondContact O-N 3.22Å; L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 3.17Å; L137-A173 HydrophobicContact CD2-CB 4.36Å
138C91.9Very high92.1Very high77 Ų7758.9 Ų58.952%0.5234%0.338SS..Hα-helixtrans-61.3-44.7172.2-72.50000111.6A134 V135 L136 L140 A141 L142A134-C138 WeakPolarHBondContact O-CB 3.28Å; A134-C138 PolarHBondContact O-N 3.32Å; A134-C138 PolarHBondContact O-SG 2.91Å; V135-C138 PolarHBondContact O-N 3Å; L136-C138 VanDerWaalsContact C-N 3.34Å; L136-C138 PolarHBondContact O-N 3.06Å; C138-L140 PolarHBondContact O-N 3.43Å; C138-A141 PolarHBondContact O-N 3.34Å; C138-L142 WeakPolarHBondContact O-CG 3.19Å; C138-L142 PolarHBondContact O-N 2.93Å; C138-L142 VanDerWaalsContact O-N 3.17Å
139C91.2Very high91.8Very high3 Ų361.3 Ų61.32%0.0235%0.35CS..Hα-helixtrans-60.9-45.8175.9-66.20000111.2V124 V135 L136 A141 L142 L143V124-C139 HydrophobicContact CG2-CB 4.17Å; V135-C139 WeakPolarHBondContact O-CB 3.5Å; V135-C139 PolarHBondContact O-N 2.88Å; V135-C139 PolarHBondContact O-SG 3.43Å; L136-C139 WeakPolarHBondContact O-CB 3.4Å; L136-C139 PolarHBondContact O-N 3.48Å; L136-C139 VanDerWaalsContact O-N 3.12Å; C139-A141 VanDerWaalsContact C-N 3.26Å; C139-A141 PolarHBondContact O-N 3.4Å; C139-L142 PolarHBondContact O-N 3.35Å; C139-L143 HydrophobicContact CB-CD1 3.95Å; C139-L143 VanDerWaalsContact O-CB 3.25Å; C139-L143 WeakPolarHBondContact O-CB 3.2Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.47Å
140L92Very high91.7Very high12 Ų1258.5 Ų58.56%0.06334%0.336CS..Hα-helixtrans-65.7-27.2177.7-63179.5000112.7L136 L137 C138 L148 A173 L174 K177L136-L140 HydrophobicContact CD1-CD1 4.3Å; L136-L140 HydrophobicContact CD1-CD2 4.44Å; L136-L140 HydrophobicContact CD1-CG 4.18Å; L136-L140 HydrophobicContact CG-CD1 4.15Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.29Å; L136-L140 PolarHBondContact O-N 3Å; L137-L140 PolarHBondContact O-N 3.22Å; C138-L140 PolarHBondContact O-N 3.43Å; L140-L148 HydrophobicContact CD2-CD1 4.16Å; L140-L148 HydrophobicContact CD2-CD2 3.51Å; L140-A173 HydrophobicContact CD1-CB 3.66Å; L140-L174 HydrophobicContact CD2-CD2 3.81Å; L140-K177 HydrophobicContact CB-CG 4.41Å; L140-K177 HydrophobicContact CD2-CB 4.21Å; L140-K177 HydrophobicContact CD2-CG 4.09Å; L140-K177 WeakPolarHBondContact O-CD 2.93Å; L140-K177 WeakPolarHBondContact O-CE 3.37Å; L140-K177 PolarHBondContact O-NZ 2.89Å
141A91Very high91.6Very high78 Ų7853.9 Ų53.965%0.64532%0.315SS*.Hα-helixtrans-73.2-34.9175.100000112.3L137 C138 C139L137-A141 WeakPolarHBondContact O-CB 3.39Å; L137-A141 PolarHBondContact O-N 3.17Å; C138-A141 PolarHBondContact O-N 3.34Å; C139-A141 VanDerWaalsContact C-N 3.26Å; C139-A141 PolarHBondContact O-N 3.4Å
142L88.4Confident91.6Very high78 Ų7848.3 Ų48.341%0.40829%0.289SS..Hα-helixtrans-98.6-31.8-170.2-62.8173.8000113.9L105 L113 C138 C139L105-L142 HydrophobicContact CD1-CD2 4.47Å; L105-L142 HydrophobicContact CD2-CD1 4Å; L105-L142 HydrophobicContact CD2-CD2 4.06Å; L113-L142 HydrophobicContact CD1-CB 4.22Å; L113-L142 HydrophobicContact CD1-CD1 4.21Å; L113-L142 HydrophobicContact CD2-CD1 4.48Å; C138-L142 WeakPolarHBondContact O-CG 3.19Å; C138-L142 PolarHBondContact O-N 2.93Å; C138-L142 VanDerWaalsContact O-N 3.17Å; C139-L142 PolarHBondContact O-N 3.35Å
143L85.9Confident91.5Very high10 Ų1051.8 Ų51.85%0.05230%0.304CS..SBendtrans-87.4145.9-174.2-64.4170.7000112.1L113 V124 C139 V147 K177L113-L143 HydrophobicContact CB-CD2 4.06Å; L113-L143 HydrophobicContact CD2-CD1 4.43Å; L113-L143 HydrophobicContact CD2-CD2 4.04Å; L113-L143 HydrophobicContact CD2-CG 4.15Å; L113-L143 HydrophobicContact CG-CD2 4.46Å; V124-L143 HydrophobicContact CG2-CD1 3.46Å; V124-L143 VanDerWaalsContact CG2-CD1 3.46Å; C139-L143 HydrophobicContact CB-CD1 3.95Å; C139-L143 VanDerWaalsContact O-CB 3.25Å; C139-L143 WeakPolarHBondContact O-CB 3.2Å; C139-L143 WeakPolarHBondContact O-CG 3.4Å; C139-L143 PolarHBondContact O-N 3.47Å; L143-V147 HydrophobicContact CB-CB 4.42Å; L143-V147 HydrophobicContact CD1-CG1 4.03Å; L143-K177 WeakPolarHBondContact O-CE 3.37Å; L143-K177 PolarHBondContact O-NZ 3.45Å
144P85.7Confident91.5Very high54 Ų5451.5 Ų51.535%0.35130%0.297SS..  trans-73.2164.2171.733.2-32.5000110.6L26 E146 V147L26-P144 HydrophobicContact CD1-CG 4.47Å; P144-E146 VanDerWaalsContact C-N 3.31Å; P144-E146 WeakPolarHBondContact CB-OE2 3.23Å; P144-E146 PolarHBondContact O-N 3.42Å; P144-V147 HydrophobicContact CG-CG2 3.83Å; P144-V147 PolarHBondContact O-N 2.91Å
145Q85Confident91.6Very high84 Ų8454.3 Ų54.339%0.39329%0.293SS..G310 helixtrans-67.1-33.5-168.9-177-178.7-19.700112.3V147 L148 G178Q145-V147 PolarHBondContact O-N 2.88Å; Q145-V147 VanDerWaalsContact O-N 3.15Å; Q145-L148 VanDerWaalsContact O-CB 3.29Å; Q145-L148 WeakPolarHBondContact O-CB 3.43Å; Q145-L148 WeakPolarHBondContact O-CG 3.23Å; Q145-L148 PolarHBondContact O-N 3.47Å; Q145-G178 PolarHBondContact NE2-O 3.47Å
146E85.4Confident91.8Very high136 Ų13652.6 Ų52.664%0.63628%0.281SS*.G310 helixtrans-60.6-26.4-177.6-61.375-166.200112P144 L148 D149P144-E146 VanDerWaalsContact C-N 3.31Å; P144-E146 WeakPolarHBondContact CB-OE2 3.23Å; P144-E146 PolarHBondContact O-N 3.42Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.13Å; E146-D149 PolarHBondContact O-N 2.93Å
147V88.8Confident91.9Very high6 Ų652.4 Ų52.44%0.03628%0.28CS..G310 helixtrans-70.9-25.3178.4-178.80000112.2L23 L143 P144 Q145 D149 I150L23-V147 HydrophobicContact CD1-CG1 4.07Å; L23-V147 HydrophobicContact CD2-CB 4.28Å; L23-V147 HydrophobicContact CD2-CG1 4.02Å; L23-V147 HydrophobicContact CD2-CG2 3.3Å; L23-V147 HydrophobicContact CG-CG1 4.39Å; L23-V147 HydrophobicContact CG-CG2 4.02Å; L143-V147 HydrophobicContact CB-CB 4.42Å; L143-V147 HydrophobicContact CD1-CG1 4.03Å; P144-V147 HydrophobicContact CG-CG2 3.83Å; P144-V147 PolarHBondContact O-N 2.91Å; Q145-V147 PolarHBondContact O-N 2.88Å; Q145-V147 VanDerWaalsContact O-N 3.15Å; V147-D149 PolarHBondContact O-N 3.08Å; V147-I150 HydrophobicContact CG1-CD1 4.24Å; V147-I150 PolarHBondContact O-N 2.87Å
148L91.2Very high92Very high2 Ų247.4 Ų47.41%0.0125%0.254CS..G310 helixtrans-72.8-20179.9-51.3-178.3000112.4V124 L140 Q145 E146 L174 K177 A179V124-L148 HydrophobicContact CG1-CD2 4.18Å; V124-L148 HydrophobicContact CG2-CD2 4.29Å; L140-L148 HydrophobicContact CD2-CD1 4.16Å; L140-L148 HydrophobicContact CD2-CD2 3.51Å; Q145-L148 VanDerWaalsContact O-CB 3.29Å; Q145-L148 WeakPolarHBondContact O-CB 3.43Å; Q145-L148 WeakPolarHBondContact O-CG 3.23Å; Q145-L148 PolarHBondContact O-N 3.47Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.13Å; L148-L174 HydrophobicContact CD2-CD2 4.15Å; L148-K177 HydrophobicContact CD1-CB 3.9Å; L148-K177 HydrophobicContact CD1-CG 3.51Å; L148-A179 HydrophobicContact CB-CB 3.95Å; L148-A179 HydrophobicContact CD1-CB 4.13Å
149D93.3Very high92.3Very high50 Ų5043.8 Ų43.827%0.26723%0.229SC..G310 helixtrans-95.3-4.6-175.8-71.7-4.9000112.2E146 V147 Q151 S180 L183E146-D149 PolarHBondContact O-N 2.93Å; V147-D149 PolarHBondContact O-N 3.08Å; D149-Q151 PolarHBondContact O-N 3.23Å; D149-S180 WeakPolarHBondContact OD1-CB 3.45Å; D149-S180 PolarHBondContact OD1-N 3.21Å; D149-S180 WeakPolarHBondContact OD2-CB 3.39Å; D149-L183 HydrophobicContact CB-CD1 3.68Å; D149-L183 WeakPolarHBondContact O-CD1 3.28Å
150I93.1Very high92.6Very high5 Ų543.8 Ų43.83%0.02623%0.229CC..  trans-63.4134.3174.4-65.5176000109I20 L23 T122 H125 V147I20-I150 HydrophobicContact CG1-CG2 3.95Å; L23-I150 HydrophobicContact CB-CD1 4.46Å; L23-I150 HydrophobicContact CD1-CD1 3.21Å; L23-I150 HydrophobicContact CG-CD1 3.5Å; T122-I150 HydrophobicContact CG2-CB 4.1Å; T122-I150 HydrophobicContact CG2-CD1 4.25Å; T122-I150 HydrophobicContact CG2-CG2 3.75Å; H125-I150 PolarHBondContact CE1-O 3.4Å; H125-I150 PolarHBondContact NE2-O 3.1Å; V147-I150 HydrophobicContact CG1-CD1 4.24Å; V147-I150 PolarHBondContact O-N 2.87Å
151Q95.9Very high92.9Very high41 Ų4144 Ų4419%0.19223%0.23CC..  trans-104.9135.3178.3-65.4178.8-63.800109.9D149 Y155 Q156 T157 Q184D149-Q151 PolarHBondContact O-N 3.23Å; Q151-Y155 PolarHBondContact NE2-O 3.38Å; Q151-Q156 WeakPolarHBondContact CA-O 3.5Å; Q151-T157 HydrophobicContact CG-CG2 3.69Å; Q151-Q184 PolarHBondContact NE2-O 2.84Å
152N95.6Very high93.2Very high13 Ų1340.3 Ų40.37%0.0720%0.199CC..  trans-72.8-174.7173.1735.6000111.7D121 L154 Y155 Q156D121-N152 WeakPolarHBondContact OD1-CB 3.41Å; D121-N152 PolarHBondContact OD1-ND2 3.38Å; N152-L154 PolarHBondContact O-N 3.37Å; N152-L154 WeakPolarHBondContact OD1-CA 3.29Å; N152-L154 WeakPolarHBondContact OD1-CB 3.35Å; N152-L154 PolarHBondContact OD1-N 3.18Å; N152-Y155 WeakPolarHBondContact O-CA 3.34Å; N152-Y155 PolarHBondContact O-N 2.89Å; N152-Y155 PolarHBondContact OD1-N 2.86Å; N152-Q156 PolarHBondContact N-O 3.13Å; N152-Q156 WeakPolarHBondContact OD1-CB 3.4Å; N152-Q156 PolarHBondContact OD1-N 3.29Å; N152-Q156 PolarHBondContact OD1-O 3.1Å
153N95.3Very high93.7Very high101 Ų10136.6 Ų36.654%0.5418%0.18SC..THydrogen-bonded Turntrans-63.1-14-178.1-65.3-14.2000113.9E118 D119E118-N153 PolarHBondContact O-ND2 3.25Å; D119-N153 VanDerWaalsContact C-CG 3.45Å; D119-N153 WeakPolarHBondContact CA-ND2 3.46Å; D119-N153 VanDerWaalsContact O-CB 3.26Å; D119-N153 WeakPolarHBondContact O-CB 3.44Å; D119-N153 PolarHBondContact O-N 3.43Å; D119-N153 PolarHBondContact O-ND2 3.18Å
154L94.8Very high94.3Very high83 Ų8339.4 Ų39.444%0.43519%0.193SC..THydrogen-bonded Turntrans-96.310.5174.1-59.1179.8000112.9N152 Q156 R186N152-L154 PolarHBondContact O-N 3.37Å; N152-L154 WeakPolarHBondContact OD1-CA 3.29Å; N152-L154 WeakPolarHBondContact OD1-CB 3.35Å; N152-L154 PolarHBondContact OD1-N 3.18Å; L154-Q156 HydrophobicContact CB-CG 4.09Å; L154-Q156 PolarHBondContact O-N 3.35Å; L154-R186 WeakPolarHBondContact O-CB 3.43Å; L154-R186 PolarHBondContact O-N 3.25Å
155Y96.2Very high94.8Very high133 Ų13340 Ų4052%0.52219%0.193SC..SBendtrans62.220.5-174-57.6-94.9000113.1Q151 N152 D185 R186Q151-Y155 PolarHBondContact NE2-O 3.38Å; N152-Y155 WeakPolarHBondContact O-CA 3.34Å; N152-Y155 PolarHBondContact O-N 2.89Å; N152-Y155 PolarHBondContact OD1-N 2.86Å; Y155-D185 WeakPolarHBondContact O-CA 3.28Å; Y155-R186 HydrophobicContact CD2-CB 4.02Å
156Q97.3Very high95.4Very high29 Ų2939.6 Ų39.614%0.13619%0.193CC..  trans-94.1134.2-179-64.6177.8-43.100109.9H125 Q151 N152 L154 H160 L161 D185H125-Q156 PolarHBondContact NE2-O 3.4Å; Q151-Q156 WeakPolarHBondContact CA-O 3.5Å; N152-Q156 PolarHBondContact N-O 3.13Å; N152-Q156 WeakPolarHBondContact OD1-CB 3.4Å; N152-Q156 PolarHBondContact OD1-N 3.29Å; N152-Q156 PolarHBondContact OD1-O 3.1Å; L154-Q156 HydrophobicContact CB-CG 4.09Å; L154-Q156 PolarHBondContact O-N 3.35Å; Q156-H160 HydrophobicContact CB-CB 4.06Å; Q156-H160 HydrophobicContact CG-CB 4.36Å; Q156-L161 HydrophobicContact CB-CD2 4.42Å; Q156-D185 HydrophobicContact CG-CB 4.13Å
157T97.3Very high96Very high1 Ų134.5 Ų34.51%0.00617%0.169CC..  trans-85.3166.6165.566.60000110.6H125 Q151 L159 H160 L161 L183H125-T157 VanDerWaalsContact NE2-C 3.26Å; H125-T157 WeakPolarHBondContact NE2-CA 3.43Å; Q151-T157 HydrophobicContact CG-CG2 3.69Å; T157-L159 PolarHBondContact O-N 3.26Å; T157-L159 VanDerWaalsContact O-N 3.1Å; T157-L159 PolarHBondContact OG1-N 3.09Å; T157-H160 PolarHBondContact N-ND1 3.39Å; T157-H160 WeakPolarHBondContact O-CB 3.47Å; T157-H160 PolarHBondContact O-N 2.86Å; T157-H160 PolarHBondContact OG1-N 2.76Å; T157-H160 PolarHBondContact OG1-ND1 3Å; T157-L161 PolarHBondContact O-N 2.92Å; T157-L183 HydrophobicContact CG2-CB 4.27Å; T157-L183 HydrophobicContact CG2-CD1 3.65Å
158A96.9Very high96.4Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-56.9-28.1172.400000112.5V124 H125 V128 L161 A162 L174V124-A158 HydrophobicContact CB-CB 4.21Å; V124-A158 HydrophobicContact CG1-CB 3.6Å; H125-A158 PolarHBondContact CD2-N 2.82Å; H125-A158 PolarHBondContact NE2-N 3.25Å; V128-A158 HydrophobicContact CG2-CB 4.4Å; A158-L161 PolarHBondContact O-N 3.44Å; A158-A162 WeakPolarHBondContact O-CB 3.4Å; A158-A162 PolarHBondContact O-N 3.43Å; A158-L174 HydrophobicContact CB-CD1 4.38Å; A158-L174 HydrophobicContact CB-CD2 4.43Å
159L97.4Very high96.6Very high1 Ų138.9 Ų38.91%0.00521%0.207CC..Hα-helixtrans-68.1-40.2174.4-174.463.5000112.3T157 L161 A162 V163 V171 L174 V175 A179 R181 A191 L207T157-L159 PolarHBondContact O-N 3.26Å; T157-L159 VanDerWaalsContact O-N 3.1Å; T157-L159 PolarHBondContact OG1-N 3.09Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L159-A162 PolarHBondContact O-N 3Å; L159-V163 WeakPolarHBondContact O-CG2 3.39Å; L159-V163 PolarHBondContact O-N 3.08Å; L159-V163 VanDerWaalsContact O-N 3.14Å; L159-V171 HydrophobicContact CD1-CB 4.47Å; L159-V171 HydrophobicContact CD1-CG1 4.07Å; L159-L174 HydrophobicContact CB-CD1 4.44Å; L159-L174 HydrophobicContact CD1-CB 4.02Å; L159-L174 HydrophobicContact CD1-CD1 4.29Å; L159-V175 HydrophobicContact CD1-CG2 4.04Å; L159-V175 HydrophobicContact CD2-CG2 4.46Å; L159-A179 HydrophobicContact CD2-CB 4.4Å; L159-R181 HydrophobicContact CD2-CG 4.11Å; L159-A191 HydrophobicContact CD2-CB 3.96Å; L159-A191 HydrophobicContact CG-CB 3.8Å; L159-L207 HydrophobicContact CD1-CD2 3.98Å; L159-L207 HydrophobicContact CD2-CD2 3.98Å; L159-L207 HydrophobicContact CG-CD2 4.19Å
160H98.3Very high96.8Very high2 Ų237 Ų371%0.00920%0.199CC..Hα-helixtrans-60.3-46.7173.9-70.386.3000110.8Q156 T157 V163 H164 L183 D189 A191Q156-H160 HydrophobicContact CB-CB 4.06Å; Q156-H160 HydrophobicContact CG-CB 4.36Å; T157-H160 PolarHBondContact N-ND1 3.39Å; T157-H160 WeakPolarHBondContact O-CB 3.47Å; T157-H160 PolarHBondContact O-N 2.86Å; T157-H160 PolarHBondContact OG1-N 2.76Å; T157-H160 PolarHBondContact OG1-ND1 3Å; H160-V163 PolarHBondContact O-N 2.86Å; H160-H164 WeakPolarHBondContact O-CB 3.37Å; H160-H164 PolarHBondContact O-N 3.4Å; H160-L183 PolarHBondContact CE1-O 3.47Å; H160-L183 PolarHBondContact NE2-O 3.5Å; H160-D189 PolarHBondContact NE2-O 2.95Å; H160-A191 PolarHBondContact NE2-N 2.87Å
161L98.1Very high97Very high17 Ų1736.8 Ų36.89%0.08920%0.198CC..Hα-helixtrans-63.5-42179-63.7-179.2000112.2H125 V128 I129 Q156 T157 A158 L159 V163 H164 L165H125-L161 HydrophobicContact CB-CD1 4.01Å; V128-L161 HydrophobicContact CG1-CB 3.93Å; I129-L161 HydrophobicContact CD1-CD1 3.8Å; I129-L161 HydrophobicContact CG1-CD1 3.78Å; Q156-L161 HydrophobicContact CB-CD2 4.42Å; T157-L161 PolarHBondContact O-N 2.92Å; A158-L161 PolarHBondContact O-N 3.44Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L161-V163 VanDerWaalsContact C-N 3.28Å; L161-V163 PolarHBondContact O-N 3.01Å; L161-H164 WeakPolarHBondContact O-CB 3.45Å; L161-H164 PolarHBondContact O-N 3.31Å; L161-H164 VanDerWaalsContact O-N 3.11Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.02Å
162A98.3Very high97Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-61.9-39179.300000111.6V128 A158 L159 D166 Q167 A170 V171 L174V128-A162 VanDerWaalsContact CG1-CA 3.46Å; V128-A162 HydrophobicContact CG1-CB 3.77Å; V128-A162 HydrophobicContact CG2-CB 4.43Å; A158-A162 WeakPolarHBondContact O-CB 3.4Å; A158-A162 PolarHBondContact O-N 3.43Å; L159-A162 PolarHBondContact O-N 3Å; A162-D166 PolarHBondContact O-N 2.94Å; A162-Q167 PolarHBondContact O-N 3.42Å; A162-A170 HydrophobicContact CB-CB 3.97Å; A162-V171 HydrophobicContact CB-CG2 3.77Å; A162-L174 HydrophobicContact CB-CD1 3.95Å
163V98.3Very high96.9Very high0 Ų040.4 Ų40.40%021%0.213CC..Hα-helixtrans-70.1-43173.2175.80000111L159 H160 L161 L165 D166 V171 A191 V194 A195 H200 C203 L207L159-V163 WeakPolarHBondContact O-CG2 3.39Å; L159-V163 PolarHBondContact O-N 3.08Å; L159-V163 VanDerWaalsContact O-N 3.14Å; H160-V163 PolarHBondContact O-N 2.86Å; L161-V163 VanDerWaalsContact C-N 3.28Å; L161-V163 PolarHBondContact O-N 3.01Å; V163-L165 PolarHBondContact O-N 3.45Å; V163-D166 PolarHBondContact O-N 2.89Å; V163-V171 HydrophobicContact CB-CG2 4.49Å; V163-V171 HydrophobicContact CG2-CG1 4.42Å; V163-V171 HydrophobicContact CG2-CG2 3.63Å; V163-A191 WeakPolarHBondContact CG1-O 3.43Å; V163-A191 HydrophobicContact CG2-CB 4.13Å; V163-V194 HydrophobicContact CG1-CB 4.19Å; V163-V194 HydrophobicContact CG1-CG1 4.03Å; V163-A195 VanDerWaalsContact CG1-CA 3.5Å; V163-A195 HydrophobicContact CG1-CB 3.57Å; V163-H200 PolarHBondContact O-CE1 3.13Å; V163-H200 PolarHBondContact O-ND1 3.01Å; V163-C203 HydrophobicContact CG1-CB 4.19Å; V163-C203 HydrophobicContact CG2-CB 4.34Å; V163-L207 HydrophobicContact CG2-CD1 3.99Å; V163-L207 HydrophobicContact CG2-CG 4.48Å
164H97.2Very high96.9Very high70 Ų7035.7 Ų35.732%0.32419%0.188SC..Hα-helixtrans-59.7-35.8-178.8-168.396000112.4H160 L161 D166 V194 R198H160-H164 WeakPolarHBondContact O-CB 3.37Å; H160-H164 PolarHBondContact O-N 3.4Å; L161-H164 WeakPolarHBondContact O-CB 3.45Å; L161-H164 PolarHBondContact O-N 3.31Å; L161-H164 VanDerWaalsContact O-N 3.11Å; H164-D166 VanDerWaalsContact C-N 3.34Å; H164-V194 HydrophobicContact CB-CG1 4.32Å; H164-R198 PolarHBondContact CE1-NH2 3.46Å; H164-R198 PolarHBondContact NE2-NH2 2.92Å
165L97.6Very high96.8Very high67 Ų6732.5 Ų32.535%0.35117%0.172SC..THydrogen-bonded Turntrans-896.6177.9-61173.8000113.7V128 L161 V163 Q167V128-L165 HydrophobicContact CG1-CD1 4.25Å; L161-L165 WeakPolarHBondContact O-CB 3.37Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.02Å; V163-L165 PolarHBondContact O-N 3.45Å; L165-Q167 HydrophobicContact CB-CG 4.11Å; L165-Q167 PolarHBondContact O-N 3.05Å
166D97.9Very high96.6Very high75 Ų7530.4 Ų30.440%0.40117%0.169SC..THydrogen-bonded Turntrans52.248.4-176.7-158.625.6000114.7A162 V163 H164 P168 H200 C203A162-D166 PolarHBondContact O-N 2.94Å; V163-D166 PolarHBondContact O-N 2.89Å; H164-D166 VanDerWaalsContact C-N 3.34Å; D166-P168 VanDerWaalsContact C-CD 3.46Å; D166-P168 WeakPolarHBondContact O-CD 3.34Å; D166-H200 VanDerWaalsContact CB-CE1 3.49Å; D166-H200 WeakPolarHBondContact CB-CE1 3.46Å; D166-H200 WeakPolarHBondContact OD1-CB 3.41Å; D166-H200 IonicContact OD1-CD2 2.78Å; D166-H200 IonicContact OD1-CG 2.98Å; D166-H200 IonicContact OD1-ND1 3.64Å; D166-C203 PolarHBondContact OD1-SG 3.23Å
167Q97.6Very high96.3Very high29 Ų2932 Ų3214%0.13618%0.176CC..  trans-104.380.1179.7-64.3179.78.300111.5V128 E131 A162 L165 G169 A170 V171V128-Q167 PolarHBondContact O-NE2 3.5Å; V128-Q167 VanDerWaalsContact O-NE2 3.09Å; E131-Q167 VanDerWaalsContact CG-NE2 3.28Å; A162-Q167 PolarHBondContact O-N 3.42Å; L165-Q167 HydrophobicContact CB-CG 4.11Å; L165-Q167 PolarHBondContact O-N 3.05Å; Q167-G169 PolarHBondContact O-N 3.32Å; Q167-G169 VanDerWaalsContact O-N 3.14Å; Q167-A170 HydrophobicContact CB-CB 3.85Å; Q167-A170 PolarHBondContact O-N 2.78Å; Q167-V171 WeakPolarHBondContact O-CG2 3.34Å; Q167-V171 PolarHBondContact O-N 2.98Å
168P96.8Very high95.9Very high46 Ų4632.8 Ų32.830%0.29918%0.184SC..Hα-helixtrans-61.8-29.1-175.824.9-35.3000112.9D166 R172 A202D166-P168 VanDerWaalsContact C-CD 3.46Å; D166-P168 WeakPolarHBondContact O-CD 3.34Å; P168-R172 VanDerWaalsContact O-CB 3.27Å; P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 3.35Å; P168-A202 HydrophobicContact CB-CB 4.1Å; P168-A202 HydrophobicContact CG-CB 4.29Å
169G96.1Very high95.7Very high53 Ų5333 Ų3355%0.54619%0.186SC..Hα-helixtrans-65.1-44.8174.300000112.8Q167 R172 A173Q167-G169 PolarHBondContact O-N 3.32Å; Q167-G169 VanDerWaalsContact O-N 3.14Å; G169-R172 PolarHBondContact O-N 3.19Å; G169-A173 WeakPolarHBondContact O-CB 3.26Å; G169-A173 PolarHBondContact O-N 2.92Å
170A96.9Very high95.5Very high11 Ų1134.7 Ų34.79%0.09120%0.197CC..Hα-helixtrans-67.2-43.8175.800000111.2L136 A162 Q167 R172 A173 L174L136-A170 HydrophobicContact CD2-CB 3.56Å; A162-A170 HydrophobicContact CB-CB 3.97Å; Q167-A170 HydrophobicContact CB-CB 3.85Å; Q167-A170 PolarHBondContact O-N 2.78Å; A170-R172 PolarHBondContact O-N 2.86Å; A170-A173 PolarHBondContact O-N 3.19Å; A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.25Å; A170-L174 PolarHBondContact O-N 2.75Å
171V97.3Very high95.2Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-55.6-50.6174.5173.70000110.5L159 A162 V163 Q167 A173 L174 V175 C203 C206 L207L159-V171 HydrophobicContact CD1-CB 4.47Å; L159-V171 HydrophobicContact CD1-CG1 4.07Å; A162-V171 HydrophobicContact CB-CG2 3.77Å; V163-V171 HydrophobicContact CB-CG2 4.49Å; V163-V171 HydrophobicContact CG2-CG1 4.42Å; V163-V171 HydrophobicContact CG2-CG2 3.63Å; Q167-V171 WeakPolarHBondContact O-CG2 3.34Å; Q167-V171 PolarHBondContact O-N 2.98Å; V171-A173 PolarHBondContact O-N 2.78Å; V171-L174 PolarHBondContact O-N 3.04Å; V171-V175 HydrophobicContact CG1-CG2 4.38Å; V171-V175 WeakPolarHBondContact O-CB 3.31Å; V171-V175 VanDerWaalsContact O-CG2 3.29Å; V171-V175 WeakPolarHBondContact O-CG2 3.44Å; V171-V175 PolarHBondContact O-N 3.29Å; V171-C203 HydrophobicContact CG2-CB 4.39Å; V171-C206 HydrophobicContact CB-CB 4.34Å; V171-C206 HydrophobicContact CG1-CB 3.75Å; V171-L207 HydrophobicContact CG1-CD2 3.87Å; V171-L207 HydrophobicContact CG1-CG 3.89Å
172R95.4Very high95Very high110 Ų11038.5 Ų38.542%0.41522%0.223SC..Hα-helixtrans-60.4-44.2178.4-174.5179.7-67.5-90.7-4.5111.5P168 G169 A170 L176 C206 E209P168-R172 VanDerWaalsContact O-CB 3.27Å; P168-R172 WeakPolarHBondContact O-CB 3.44Å; P168-R172 PolarHBondContact O-N 3.35Å; G169-R172 PolarHBondContact O-N 3.19Å; A170-R172 PolarHBondContact O-N 2.86Å; R172-L176 HydrophobicContact CG-CD1 3.88Å; R172-L176 HydrophobicContact CG-CG 4.3Å; R172-L176 VanDerWaalsContact O-CB 3.23Å; R172-L176 WeakPolarHBondContact O-CB 3.27Å; R172-L176 WeakPolarHBondContact O-CG 3.36Å; R172-L176 PolarHBondContact O-N 3.34Å; R172-C206 HydrophobicContact CB-CB 4.37Å; R172-E209 IonicContact CZ-OE2 3.72Å; R172-E209 VanDerWaalsContact CZ-OE2 3.31Å; R172-E209 IonicContact NH1-OE2 3.76Å; R172-E209 PolarHBondContact NH1-OE2 3.03Å; R172-E209 IonicContact NH2-OE2 2.83Å; R172-E209 PolarHBondContact NH2-OE2 3.37Å
173A94.9Very high94.8Very high21 Ų2140.8 Ų40.817%0.17424%0.235CC..Hα-helixtrans-63.3-43.5179.300000112.4L137 L140 G169 A170 V171 L176 K177L137-A173 HydrophobicContact CD2-CB 4.36Å; L140-A173 HydrophobicContact CD1-CB 3.66Å; G169-A173 WeakPolarHBondContact O-CB 3.26Å; G169-A173 PolarHBondContact O-N 2.92Å; A170-A173 PolarHBondContact O-N 3.19Å; V171-A173 PolarHBondContact O-N 2.78Å; A173-L176 PolarHBondContact O-N 3.42Å; A173-K177 WeakPolarHBondContact O-CB 3.37Å; A173-K177 PolarHBondContact O-N 3.01Å
174L94.8Very high94.7Very high1 Ų143.4 Ų43.41%0.00525%0.247CC..Hα-helixtrans-64.6-48177.5-73.8163.9000111.7V124 V128 L136 L140 L148 A158 L159 A162 A170 V171 L176 K177 G178 A179V124-L174 HydrophobicContact CG1-CD2 3.99Å; V128-L174 HydrophobicContact CG2-CD1 4.35Å; L136-L174 HydrophobicContact CD1-CD2 4.41Å; L140-L174 HydrophobicContact CD2-CD2 3.81Å; L148-L174 HydrophobicContact CD2-CD2 4.15Å; A158-L174 HydrophobicContact CB-CD1 4.38Å; A158-L174 HydrophobicContact CB-CD2 4.43Å; L159-L174 HydrophobicContact CB-CD1 4.44Å; L159-L174 HydrophobicContact CD1-CB 4.02Å; L159-L174 HydrophobicContact CD1-CD1 4.29Å; A162-L174 HydrophobicContact CB-CD1 3.95Å; A170-L174 WeakPolarHBondContact O-CB 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.25Å; A170-L174 PolarHBondContact O-N 2.75Å; V171-L174 PolarHBondContact O-N 3.04Å; L174-L176 PolarHBondContact O-N 2.86Å; L174-K177 PolarHBondContact O-N 3.15Å; L174-G178 PolarHBondContact O-N 3.5Å; L174-A179 HydrophobicContact CB-CB 4.03Å; L174-A179 WeakPolarHBondContact O-CB 3.37Å; L174-A179 PolarHBondContact O-N 2.96Å
175V92.9Very high94.7Very high17 Ų1740.4 Ų40.410%0.10323%0.234CC..Hα-helixtrans-62.4-42.6176.8172.60000111L159 V171 K177 G178 R181 L207L159-V175 HydrophobicContact CD1-CG2 4.04Å; L159-V175 HydrophobicContact CD2-CG2 4.46Å; V171-V175 HydrophobicContact CG1-CG2 4.38Å; V171-V175 WeakPolarHBondContact O-CB 3.31Å; V171-V175 VanDerWaalsContact O-CG2 3.29Å; V171-V175 WeakPolarHBondContact O-CG2 3.44Å; V171-V175 PolarHBondContact O-N 3.29Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 3.21Å; V175-G178 PolarHBondContact O-N 3.14Å; V175-G178 VanDerWaalsContact O-N 3.09Å; V175-R181 HydrophobicContact CG2-CG 4.34Å; V175-L207 HydrophobicContact CG2-CD2 4.01Å
176L91.1Very high94.6Very high88 Ų8843.3 Ų43.346%0.46124%0.24SC..Hα-helixtrans-64.6-32.2176.5-77.7174.8000112.8R172 A173 L174 G178 R211R172-L176 HydrophobicContact CG-CD1 3.88Å; R172-L176 HydrophobicContact CG-CG 4.3Å; R172-L176 VanDerWaalsContact O-CB 3.23Å; R172-L176 WeakPolarHBondContact O-CB 3.27Å; R172-L176 WeakPolarHBondContact O-CG 3.36Å; R172-L176 PolarHBondContact O-N 3.34Å; A173-L176 PolarHBondContact O-N 3.42Å; L174-L176 PolarHBondContact O-N 2.86Å; L176-G178 VanDerWaalsContact C-N 3.3Å; L176-R211 HydrophobicContact CD2-CG 4.27Å; L176-R211 PolarHBondContact O-NE 3.45Å; L176-R211 PolarHBondContact O-NH2 2.9Å
177K90.8Very high94.6Very high63 Ų6343.3 Ų43.327%0.27424%0.238SC..Hα-helixtrans-75.3-22.4174.6-17666.5-177.5-1630112.1L140 L143 L148 A173 L174 V175L140-K177 HydrophobicContact CB-CG 4.41Å; L140-K177 HydrophobicContact CD2-CB 4.21Å; L140-K177 HydrophobicContact CD2-CG 4.09Å; L140-K177 WeakPolarHBondContact O-CD 2.93Å; L140-K177 WeakPolarHBondContact O-CE 3.37Å; L140-K177 PolarHBondContact O-NZ 2.89Å; L143-K177 WeakPolarHBondContact O-CE 3.37Å; L143-K177 PolarHBondContact O-NZ 3.45Å; L148-K177 HydrophobicContact CD1-CB 3.9Å; L148-K177 HydrophobicContact CD1-CG 3.51Å; A173-K177 WeakPolarHBondContact O-CB 3.37Å; A173-K177 PolarHBondContact O-N 3.01Å; L174-K177 PolarHBondContact O-N 3.15Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 3.21Å
178G90Very high94.5Very high17 Ų1742 Ų4218%0.17523%0.231CC..THydrogen-bonded Turntrans112.319175.600000114.4Q145 L174 V175 L176 S180Q145-G178 PolarHBondContact NE2-O 3.47Å; L174-G178 PolarHBondContact O-N 3.5Å; V175-G178 PolarHBondContact O-N 3.14Å; V175-G178 VanDerWaalsContact O-N 3.09Å; L176-G178 VanDerWaalsContact C-N 3.3Å; G178-S180 PolarHBondContact O-N 3.41Å
179A92.6Very high94.6Very high6 Ų640.1 Ų40.15%0.0522%0.219CC..  trans-53.7134.217400000110.8L148 L159 L174 R181L148-A179 HydrophobicContact CB-CB 3.95Å; L148-A179 HydrophobicContact CD1-CB 4.13Å; L159-A179 HydrophobicContact CD2-CB 4.4Å; L174-A179 HydrophobicContact CB-CB 4.03Å; L174-A179 WeakPolarHBondContact O-CB 3.37Å; L174-A179 PolarHBondContact O-N 2.96Å; A179-R181 PolarHBondContact O-N 3.06Å
180S92.3Very high94.7Very high35 Ų3537.8 Ų37.825%0.24519%0.194CC..  trans-64130.6179.5-179.70000110.7D149 G178 A182D149-S180 WeakPolarHBondContact OD1-CB 3.45Å; D149-S180 PolarHBondContact OD1-N 3.21Å; D149-S180 WeakPolarHBondContact OD2-CB 3.39Å; G178-S180 PolarHBondContact O-N 3.41Å; S180-A182 PolarHBondContact OG-N 2.88Å
181R92.8Very high94.7Very high41 Ų4137.3 Ų37.316%0.15519%0.19CC..SBendtrans-95.3-3.9179-64.1166.754.4-174.8-4.8112.8L159 V175 A179 L207 L208 L222L159-R181 HydrophobicContact CD2-CG 4.11Å; V175-R181 HydrophobicContact CG2-CG 4.34Å; A179-R181 PolarHBondContact O-N 3.06Å; R181-L207 HydrophobicContact CG-CD2 4.48Å; R181-L207 VanDerWaalsContact CZ-C 3.41Å; R181-L207 PolarHBondContact NE-O 2.99Å; R181-L207 PolarHBondContact NH1-O 3.42Å; R181-L207 PolarHBondContact NH2-O 2.93Å; R181-L208 VanDerWaalsContact NH2-CA 3.33Å; R181-L222 HydrophobicContact CB-CD1 4.04Å
182A93Very high94.7Very high58 Ų5837.5 Ų37.548%0.47919%0.191SC..SBendtrans-102.2-12.8-173.400000113.3S180S180-A182 PolarHBondContact OG-N 2.88Å
183L94.6Very high94.9Very high48 Ų4832.4 Ų32.425%0.25117%0.172SC..  trans-64.3139.7177.3-67.2172.8000110.2D149 T157 H160 T190D149-L183 HydrophobicContact CB-CD1 3.68Å; D149-L183 WeakPolarHBondContact O-CD1 3.28Å; T157-L183 HydrophobicContact CG2-CB 4.27Å; T157-L183 HydrophobicContact CG2-CD1 3.65Å; H160-L183 PolarHBondContact CE1-O 3.47Å; H160-L183 PolarHBondContact NE2-O 3.5Å; L183-T190 WeakPolarHBondContact O-CA 3.38Å
184Q96.4Very high95Very high56 Ų5631.7 Ų31.726%0.26217%0.165SC..BIsolated β-bridgetrans-110.1139.1-177.8-70-177.6-53.900110.2Q151 G188 D189 T190 L226 Q227Q151-Q184 PolarHBondContact NE2-O 2.84Å; Q184-G188 VanDerWaalsContact CD-O 3.26Å; Q184-G188 VanDerWaalsContact CG-O 3.28Å; Q184-G188 WeakPolarHBondContact CG-O 3.29Å; Q184-G188 PolarHBondContact NE2-O 3.14Å; Q184-D189 WeakPolarHBondContact CA-O 3.31Å; Q184-T190 HydrophobicContact CG-CG2 3.85Å; Q184-L226 HydrophobicContact CG-CD2 4.4Å; Q184-Q227 PolarHBondContact NE2-O 2.86Å
185D97.1Very high95.2Very high7 Ų731.6 Ų31.64%0.03717%0.165CC..  trans-79.3-170.1173.978.6-0.8000112.9Y155 Q156 H187 G188 D189Y155-D185 WeakPolarHBondContact O-CA 3.28Å; Q156-D185 HydrophobicContact CG-CB 4.13Å; D185-H187 PolarHBondContact O-N 3.38Å; D185-H187 WeakPolarHBondContact OD1-CA 3.41Å; D185-H187 WeakPolarHBondContact OD1-CB 3.37Å; D185-H187 PolarHBondContact OD1-N 3.04Å; D185-G188 PolarHBondContact O-N 2.97Å; D185-G188 PolarHBondContact OD1-N 3.43Å; D185-D189 PolarHBondContact N-O 3.49Å; D185-D189 WeakPolarHBondContact OD1-CB 3.38Å; D185-D189 PolarHBondContact OD1-N 3.41Å
186R96.6Very high95.4Very high127 Ų12730.8 Ų30.848%0.47916%0.16SC..THydrogen-bonded Turntrans-62.5-0.7177.964172.6-92.4-122.11.8115.8L154 Y155 W229L154-R186 WeakPolarHBondContact O-CB 3.43Å; L154-R186 PolarHBondContact O-N 3.25Å; Y155-R186 HydrophobicContact CD2-CB 4.02Å; R186-W229 WeakPolarHBondContact O-CZ3 3.48Å
187H96.4Very high95.7Very high76 Ų7631.3 Ų31.335%0.35216%0.16SC..THydrogen-bonded Turntrans-114.61174.3-61.9-58.1000111.8D185 D189 W229D185-H187 PolarHBondContact O-N 3.38Å; D185-H187 WeakPolarHBondContact OD1-CA 3.41Å; D185-H187 WeakPolarHBondContact OD1-CB 3.37Å; D185-H187 PolarHBondContact OD1-N 3.04Å; H187-D189 WeakPolarHBondContact CB-OD2 3.5Å; H187-W229 WeakPolarHBondContact O-CB 3.4Å; H187-W229 PolarHBondContact O-N 3.38Å; H187-W229 VanDerWaalsContact O-N 3.07Å
188G96.9Very high96.1Very high0 Ų034.2 Ų34.20%017%0.169CC..SBendtrans78.27.3-167.800000112.3Q184 D185 N228Q184-G188 VanDerWaalsContact CD-O 3.26Å; Q184-G188 VanDerWaalsContact CG-O 3.28Å; Q184-G188 WeakPolarHBondContact CG-O 3.29Å; Q184-G188 PolarHBondContact NE2-O 3.14Å; D185-G188 PolarHBondContact O-N 2.97Å; D185-G188 PolarHBondContact OD1-N 3.43Å; G188-N228 VanDerWaalsContact O-CA 3.28Å; G188-N228 WeakPolarHBondContact O-CA 3.42Å; G188-N228 VanDerWaalsContact O-CB 3.31Å; G188-N228 WeakPolarHBondContact O-CB 3.44Å
189D97.9Very high96.4Very high8 Ų837.7 Ų37.74%0.04318%0.181CC..  trans-82.6126.2-175.8-71.6-43.6000109.3H160 Q184 D185 H187 H193 V194 N228H160-D189 PolarHBondContact NE2-O 2.95Å; Q184-D189 WeakPolarHBondContact CA-O 3.31Å; D185-D189 PolarHBondContact N-O 3.49Å; D185-D189 WeakPolarHBondContact OD1-CB 3.38Å; D185-D189 PolarHBondContact OD1-N 3.41Å; H187-D189 WeakPolarHBondContact CB-OD2 3.5Å; D189-H193 HydrophobicContact CB-CB 3.71Å; D189-H193 WeakPolarHBondContact OD1-CB 3.17Å; D189-H193 IonicContact OD1-CG 3.31Å; D189-V194 HydrophobicContact CB-CG2 4.09Å; D189-N228 VanDerWaalsContact OD1-CB 3.24Å; D189-N228 WeakPolarHBondContact OD1-CB 3.47Å; D189-N228 PolarHBondContact OD1-ND2 3.11Å
190T97.7Very high96.7Very high3 Ų339 Ų392%0.01819%0.186CC..BIsolated β-bridgetrans-76.1167.4163.970.50000110.3L183 Q184 L192 H193 V194 L226L183-T190 WeakPolarHBondContact O-CA 3.38Å; Q184-T190 HydrophobicContact CG-CG2 3.85Å; T190-L192 PolarHBondContact O-N 3.09Å; T190-L192 PolarHBondContact OG1-N 3.35Å; T190-H193 PolarHBondContact N-ND1 3.12Å; T190-H193 WeakPolarHBondContact O-CA 2.83Å; T190-H193 WeakPolarHBondContact O-CB 3.42Å; T190-H193 PolarHBondContact O-N 3.09Å; T190-H193 PolarHBondContact OG1-N 2.91Å; T190-H193 PolarHBondContact OG1-ND1 3.33Å; T190-V194 PolarHBondContact O-N 3.19Å; T190-L226 HydrophobicContact CG2-CD2 3.63Å
191A97.3Very high96.9Very high2 Ų239.8 Ų39.82%0.01719%0.187CC..Hα-helixtrans-52-31.9172.800000113.3L159 H160 V163 A195 L207L159-A191 HydrophobicContact CD2-CB 3.96Å; L159-A191 HydrophobicContact CG-CB 3.8Å; H160-A191 PolarHBondContact NE2-N 2.87Å; V163-A191 WeakPolarHBondContact CG1-O 3.43Å; V163-A191 HydrophobicContact CG2-CB 4.13Å; A191-A195 PolarHBondContact O-N 3.23Å; A191-L207 HydrophobicContact CB-CD1 4.21Å; A191-L207 HydrophobicContact CB-CD2 4.1Å
192L97.8Very high97.1Very high4 Ų440.1 Ų40.12%0.02120%0.199CC..Hα-helixtrans-73.7-37.1175.3-172.563.3000112.5T190 V194 A195 C196 A204 L207 L208 L222 L224 C234 L250T190-L192 PolarHBondContact O-N 3.09Å; T190-L192 PolarHBondContact OG1-N 3.35Å; L192-V194 VanDerWaalsContact C-N 3.33Å; L192-A195 WeakPolarHBondContact O-CB 3.5Å; L192-A195 PolarHBondContact O-N 3.05Å; L192-C196 PolarHBondContact O-N 3.35Å; L192-C196 PolarHBondContact O-SG 3.21Å; L192-A204 HydrophobicContact CD1-CB 3.97Å; L192-L207 HydrophobicContact CB-CD1 4.05Å; L192-L207 HydrophobicContact CD1-CB 4.32Å; L192-L207 HydrophobicContact CD1-CD1 3.96Å; L192-L208 HydrophobicContact CD1-CD1 4.46Å; L192-L208 HydrophobicContact CD1-CG 4.3Å; L192-L208 HydrophobicContact CD2-CD2 3.89Å; L192-L208 HydrophobicContact CD2-CG 4.41Å; L192-L222 HydrophobicContact CB-CD2 4.42Å; L192-L222 HydrophobicContact CD2-CD2 3.6Å; L192-L224 HydrophobicContact CD2-CD2 3.57Å; L192-C234 HydrophobicContact CD2-CB 4.42Å; L192-C234 HydrophobicContact CG-CB 4.47Å; L192-L250 HydrophobicContact CD2-CD2 3.9Å; L192-L250 HydrophobicContact CG-CD2 4.46Å
193H98.4Very high97.3Very high3 Ų337.3 Ų37.31%0.01418%0.176CC..Hα-helixtrans-59.9-45.8172.5-68.488000110.6D189 T190 A195 C196 Q197 L226 L232 I237D189-H193 HydrophobicContact CB-CB 3.71Å; D189-H193 WeakPolarHBondContact OD1-CB 3.17Å; D189-H193 IonicContact OD1-CG 3.31Å; T190-H193 PolarHBondContact N-ND1 3.12Å; T190-H193 WeakPolarHBondContact O-CA 2.83Å; T190-H193 WeakPolarHBondContact O-CB 3.42Å; T190-H193 PolarHBondContact O-N 3.09Å; T190-H193 PolarHBondContact OG1-N 2.91Å; T190-H193 PolarHBondContact OG1-ND1 3.33Å; H193-A195 VanDerWaalsContact C-N 3.33Å; H193-A195 PolarHBondContact O-N 3.42Å; H193-C196 WeakPolarHBondContact O-CB 3.34Å; H193-C196 PolarHBondContact O-N 3.26Å; H193-C196 VanDerWaalsContact O-N 3.08Å; H193-Q197 WeakPolarHBondContact O-CB 3.27Å; H193-Q197 PolarHBondContact O-N 3.04Å; H193-L226 PolarHBondContact CE1-O 3.04Å; H193-L226 PolarHBondContact NE2-O 3.02Å; H193-L226 VanDerWaalsContact NE2-O 3.12Å; H193-L232 PolarHBondContact CD2-O 3.46Å; H193-L232 PolarHBondContact NE2-O 2.84Å; H193-I237 HydrophobicContact CB-CD1 4.05Å
194V98.1Very high97.4Very high5 Ų535 Ų353%0.0316%0.164CC..Hα-helixtrans-59.2-44175.6-179.10000111V163 H164 D189 T190 L192 C196 Q197 R198V163-V194 HydrophobicContact CG1-CB 4.19Å; V163-V194 HydrophobicContact CG1-CG1 4.03Å; H164-V194 HydrophobicContact CB-CG1 4.32Å; D189-V194 HydrophobicContact CB-CG2 4.09Å; T190-V194 PolarHBondContact O-N 3.19Å; L192-V194 VanDerWaalsContact C-N 3.33Å; V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.76Å; V194-Q197 PolarHBondContact O-N 3.2Å; V194-R198 HydrophobicContact CG1-CG 4.26Å; V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 WeakPolarHBondContact O-CG 3.46Å; V194-R198 PolarHBondContact O-N 2.99Å
195A98.2Very high97.4Very high0 Ų037.4 Ų37.40%017%0.17CC..Hα-helixtrans-60-39.9176.300000111.6V163 A191 L192 H193 Q199 H200 A204 L207V163-A195 VanDerWaalsContact CG1-CA 3.5Å; V163-A195 HydrophobicContact CG1-CB 3.57Å; A191-A195 PolarHBondContact O-N 3.23Å; L192-A195 WeakPolarHBondContact O-CB 3.5Å; L192-A195 PolarHBondContact O-N 3.05Å; H193-A195 VanDerWaalsContact C-N 3.33Å; H193-A195 PolarHBondContact O-N 3.42Å; A195-Q199 CarbonylContact O-C 3.58Å; A195-Q199 WeakPolarHBondContact O-CA 2.98Å; A195-Q199 PolarHBondContact O-N 3.47Å; A195-H200 PolarHBondContact O-N 2.81Å; A195-A204 HydrophobicContact CB-CB 4.04Å; A195-L207 HydrophobicContact CB-CD1 4.21Å
196C98.1Very high97.3Very high0 Ų037.5 Ų37.50%017%0.172CC..Hα-helixtrans-68.7-45.3178.8-63.30000112.3L192 H193 V194 R198 Q199 I237 L246L192-C196 PolarHBondContact O-N 3.35Å; L192-C196 PolarHBondContact O-SG 3.21Å; H193-C196 WeakPolarHBondContact O-CB 3.34Å; H193-C196 PolarHBondContact O-N 3.26Å; H193-C196 VanDerWaalsContact O-N 3.08Å; V194-C196 VanDerWaalsContact C-N 3.27Å; V194-C196 PolarHBondContact O-N 2.76Å; C196-R198 VanDerWaalsContact C-N 3.32Å; C196-R198 PolarHBondContact O-N 3.04Å; C196-Q199 PolarHBondContact O-N 2.89Å; C196-I237 HydrophobicContact CB-CB 4.08Å; C196-I237 HydrophobicContact CB-CG2 3.79Å; C196-L246 VanDerWaalsContact CA-CD2 3.48Å; C196-L246 HydrophobicContact CB-CD2 3.75Å
197Q97.7Very high97.2Very high99 Ų9931.6 Ų31.646%0.46315%0.149SC..Hα-helixtrans-63.1-39.8179.4-172.8-17512.700111.8H193 V194 Q199 I237H193-Q197 WeakPolarHBondContact O-CB 3.27Å; H193-Q197 PolarHBondContact O-N 3.04Å; V194-Q197 PolarHBondContact O-N 3.2Å; Q197-Q199 VanDerWaalsContact C-N 3.33Å; Q197-I237 HydrophobicContact CB-CG2 4.03Å
198R97.4Very high97Very high124 Ų12428.8 Ų28.847%0.46814%0.137SC..Hα-helixtrans-84.9-5.2178.1-63.9-61.9-143.2174.87.4113.9H164 V194 C196 H200H164-R198 PolarHBondContact CE1-NH2 3.46Å; H164-R198 PolarHBondContact NE2-NH2 2.92Å; V194-R198 HydrophobicContact CG1-CG 4.26Å; V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 WeakPolarHBondContact O-CG 3.46Å; V194-R198 PolarHBondContact O-N 2.99Å; C196-R198 VanDerWaalsContact C-N 3.32Å; C196-R198 PolarHBondContact O-N 3.04Å; R198-H200 PolarHBondContact O-CD2 3.3Å; R198-H200 PolarHBondContact O-N 2.97Å
199Q97.4Very high96.3Very high90 Ų9033.2 Ų33.242%0.42116%0.157SC..THydrogen-bonded Turntrans61.927.1-177.7-52.5-176.535.500114A195 C196 Q197 L201 Q241 N243A195-Q199 CarbonylContact O-C 3.58Å; A195-Q199 WeakPolarHBondContact O-CA 2.98Å; A195-Q199 PolarHBondContact O-N 3.47Å; C196-Q199 PolarHBondContact O-N 2.89Å; Q197-Q199 VanDerWaalsContact C-N 3.33Å; Q199-L201 PolarHBondContact O-N 3.02Å; Q199-Q241 HydrophobicContact CG-CB 4.05Å; Q199-Q241 HydrophobicContact CG-CG 4.23Å; Q199-N243 WeakPolarHBondContact CB-ND2 3.4Å
200H97.8Very high94.6Very high34 Ų3435 Ų3516%0.15718%0.178CC..  trans-81.478.9-178.7-64.7171.2000111.2V163 D166 A195 R198 A202 C203 A204V163-H200 PolarHBondContact O-CE1 3.13Å; V163-H200 PolarHBondContact O-ND1 3.01Å; D166-H200 VanDerWaalsContact CB-CE1 3.49Å; D166-H200 WeakPolarHBondContact CB-CE1 3.46Å; D166-H200 WeakPolarHBondContact OD1-CB 3.41Å; D166-H200 IonicContact OD1-CD2 2.78Å; D166-H200 IonicContact OD1-CG 2.98Å; D166-H200 IonicContact OD1-ND1 3.64Å; A195-H200 PolarHBondContact O-N 2.81Å; R198-H200 PolarHBondContact O-CD2 3.3Å; R198-H200 PolarHBondContact O-N 2.97Å; H200-A202 VanDerWaalsContact C-N 3.32Å; H200-A202 PolarHBondContact O-N 2.96Å; H200-C203 HydrophobicContact CB-CB 3.94Å; H200-C203 PolarHBondContact O-N 2.86Å; H200-A204 PolarHBondContact O-N 2.79Å
201L97.3Very high92.7Very high50 Ų5041.2 Ų41.226%0.26220%0.201SC..Hα-helixtrans-58.9-39.4-175.5-17666.1000113.1Q199 A204 R205 P245 L246 L249Q199-L201 PolarHBondContact O-N 3.02Å; L201-A204 PolarHBondContact O-N 3.46Å; L201-R205 WeakPolarHBondContact O-CG 3.34Å; L201-R205 PolarHBondContact O-N 3.1Å; L201-P245 HydrophobicContact CD1-CB 4.5Å; L201-P245 HydrophobicContact CD2-CB 4.06Å; L201-L246 HydrophobicContact CD1-CB 4.32Å; L201-L246 HydrophobicContact CD1-CD1 4.04Å; L201-L249 HydrophobicContact CD1-CB 4.44Å; L201-L249 HydrophobicContact CD1-CD2 3.86Å
202A97.2Very high90.3Very high48 Ų4846.6 Ų46.640%0.39724%0.236SC..Hα-helixtrans-65.7-41.8179.600000111.8P168 H200 R205 C206P168-A202 HydrophobicContact CB-CB 4.1Å; P168-A202 HydrophobicContact CG-CB 4.29Å; H200-A202 VanDerWaalsContact C-N 3.32Å; H200-A202 PolarHBondContact O-N 2.96Å; A202-R205 PolarHBondContact O-N 3.26Å; A202-C206 PolarHBondContact O-N 2.95Å; A202-C206 PolarHBondContact O-SG 2.96Å
203C97.3Very high87.9Confident0 Ų051.9 Ų51.90%026%0.261CS..Hα-helixtrans-64.6-44.8173.4-69.60000111.4V163 D166 V171 H200 R205 C206 L207V163-C203 HydrophobicContact CG1-CB 4.19Å; V163-C203 HydrophobicContact CG2-CB 4.34Å; D166-C203 PolarHBondContact OD1-SG 3.23Å; V171-C203 HydrophobicContact CG2-CB 4.39Å; H200-C203 HydrophobicContact CB-CB 3.94Å; H200-C203 PolarHBondContact O-N 2.86Å; C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 3.48Å; C203-C206 PolarHBondContact O-N 3.46Å; C203-C206 VanDerWaalsContact O-N 3.15Å; C203-L207 WeakPolarHBondContact O-CG 3.3Å; C203-L207 PolarHBondContact O-N 3.03Å
204A97Very high85.5Confident0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-58.2-41.2175.800000112.3L192 A195 H200 L201 L207 L208 L246 L249L192-A204 HydrophobicContact CD1-CB 3.97Å; A195-A204 HydrophobicContact CB-CB 4.04Å; H200-A204 PolarHBondContact O-N 2.79Å; L201-A204 PolarHBondContact O-N 3.46Å; A204-L207 PolarHBondContact O-N 3.47Å; A204-L208 WeakPolarHBondContact O-CB 3.48Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.39Å; A204-L208 PolarHBondContact O-N 3.37Å; A204-L246 HydrophobicContact CB-CD1 3.53Å; A204-L249 HydrophobicContact CB-CD2 4Å
205R95.6Very high83.4Confident106 Ų10661.8 Ų61.840%0.434%0.341SS..Hα-helixtrans-61.4-48.9172.8-73.9-179.2-178-80.3-4.2111.8L201 A202 C203 L207 L208 E209 L249L201-R205 WeakPolarHBondContact O-CG 3.34Å; L201-R205 PolarHBondContact O-N 3.1Å; A202-R205 PolarHBondContact O-N 3.26Å; C203-R205 VanDerWaalsContact C-N 3.31Å; C203-R205 PolarHBondContact O-N 3.48Å; R205-L207 VanDerWaalsContact C-N 3.26Å; R205-L207 PolarHBondContact O-N 3.22Å; R205-L208 PolarHBondContact O-N 3.37Å; R205-E209 WeakPolarHBondContact O-CB 3.42Å; R205-E209 VanDerWaalsContact O-CG 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.39Å; R205-E209 PolarHBondContact O-N 3.23Å; R205-L249 HydrophobicContact CB-CD2 4.38Å; R205-L249 HydrophobicContact CG-CD1 3.91Å; R205-L249 HydrophobicContact CG-CD2 3.51Å; R205-L249 HydrophobicContact CG-CG 4.38Å
206C94.8Very high80.8Confident9 Ų971.1 Ų71.16%0.06138%0.376CS..Hα-helixtrans-63-33.5179.5-66.10000112.7V171 R172 A202 C203V171-C206 HydrophobicContact CB-CB 4.34Å; V171-C206 HydrophobicContact CG1-CB 3.75Å; R172-C206 HydrophobicContact CB-CB 4.37Å; A202-C206 PolarHBondContact O-N 2.95Å; A202-C206 PolarHBondContact O-SG 2.96Å; C203-C206 PolarHBondContact O-N 3.46Å; C203-C206 VanDerWaalsContact O-N 3.15Å
207L94.7Very high78.1Confident2 Ų273.9 Ų73.91%0.0141%0.405CS..Hα-helixtrans-63.9-62.6169.7-68.5168.4000108.3L159 V163 V171 V175 R181 A191 L192 A195 C203 A204 R205 E209L159-L207 HydrophobicContact CD1-CD2 3.98Å; L159-L207 HydrophobicContact CD2-CD2 3.98Å; L159-L207 HydrophobicContact CG-CD2 4.19Å; V163-L207 HydrophobicContact CG2-CD1 3.99Å; V163-L207 HydrophobicContact CG2-CG 4.48Å; V171-L207 HydrophobicContact CG1-CD2 3.87Å; V171-L207 HydrophobicContact CG1-CG 3.89Å; V175-L207 HydrophobicContact CG2-CD2 4.01Å; R181-L207 HydrophobicContact CG-CD2 4.48Å; R181-L207 VanDerWaalsContact CZ-C 3.41Å; R181-L207 PolarHBondContact NE-O 2.99Å; R181-L207 PolarHBondContact NH1-O 3.42Å; R181-L207 PolarHBondContact NH2-O 2.93Å; A191-L207 HydrophobicContact CB-CD1 4.21Å; A191-L207 HydrophobicContact CB-CD2 4.1Å; L192-L207 HydrophobicContact CB-CD1 4.05Å; L192-L207 HydrophobicContact CD1-CB 4.32Å; L192-L207 HydrophobicContact CD1-CD1 3.96Å; A195-L207 HydrophobicContact CB-CD1 4.21Å; C203-L207 WeakPolarHBondContact O-CG 3.3Å; C203-L207 PolarHBondContact O-N 3.03Å; A204-L207 PolarHBondContact O-N 3.47Å; R205-L207 VanDerWaalsContact C-N 3.26Å; R205-L207 PolarHBondContact O-N 3.22Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 3.33Å
208L91.4Very high75.5Confident17 Ų1775.9 Ų75.99%0.08943%0.425CS..Hα-helixtrans-58.5-33-172.8-68.7167.8000114.7R181 L192 A204 R205 G210 L222 L224 L249 L250 N253R181-L208 VanDerWaalsContact NH2-CA 3.33Å; L192-L208 HydrophobicContact CD1-CD1 4.46Å; L192-L208 HydrophobicContact CD1-CG 4.3Å; L192-L208 HydrophobicContact CD2-CD2 3.89Å; L192-L208 HydrophobicContact CD2-CG 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.48Å; A204-L208 VanDerWaalsContact O-CG 3.31Å; A204-L208 WeakPolarHBondContact O-CG 3.39Å; A204-L208 PolarHBondContact O-N 3.37Å; R205-L208 PolarHBondContact O-N 3.37Å; L208-G210 PolarHBondContact O-N 2.93Å; L208-L222 HydrophobicContact CD2-CD2 4.17Å; L208-L224 HydrophobicContact CD2-CD1 4.49Å; L208-L224 HydrophobicContact CD2-CD2 3.65Å; L208-L249 HydrophobicContact CD1-CD1 4.34Å; L208-L249 HydrophobicContact CD1-CD2 3.76Å; L208-L249 HydrophobicContact CD1-CG 3.61Å; L208-L250 HydrophobicContact CD1-CD2 4.28Å; L208-N253 HydrophobicContact CD1-CB 4.43Å; L208-N253 HydrophobicContact CD2-CB 4.1Å
209E83.8Confident72.9Confident93 Ų9373.2 Ų73.244%0.43543%0.425SS..SBendtrans-63.192.2171.2-73.4170.6-160.600111.1R172 R205 L207R172-E209 IonicContact CZ-OE2 3.72Å; R172-E209 VanDerWaalsContact CZ-OE2 3.31Å; R172-E209 IonicContact NH1-OE2 3.76Å; R172-E209 PolarHBondContact NH1-OE2 3.03Å; R172-E209 IonicContact NH2-OE2 2.83Å; R172-E209 PolarHBondContact NH2-OE2 3.37Å; R205-E209 WeakPolarHBondContact O-CB 3.42Å; R205-E209 VanDerWaalsContact O-CG 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.39Å; R205-E209 PolarHBondContact O-N 3.23Å; L207-E209 VanDerWaalsContact C-N 3.29Å; L207-E209 PolarHBondContact O-N 3.33Å
210G62.6Low70.7Confident47 Ų4777 Ų7749%0.48544%0.442SS..  trans-69.9153.6173.300000113L208 P212L208-G210 PolarHBondContact O-N 2.93Å; G210-P212 WeakPolarHBondContact O-CD 3.47Å
211R55.8Low69.1Low132 Ų13280.6 Ų80.650%0.49847%0.471SS..  trans-47.8118.1174.7-109.7-170.7-170.3174.72.9110.4L176 E213L176-R211 HydrophobicContact CD2-CG 4.27Å; L176-R211 PolarHBondContact O-NE 3.45Å; L176-R211 PolarHBondContact O-NH2 2.9Å; R211-E213 HydrophobicContact CB-CG 4.22Å; R211-E213 PolarHBondContact O-N 3.24Å
212P48.5Very low68.4Low115 Ų11579.8 Ų79.875%0.74747%0.467SS*.  trans-78.277.9170.931.6-31.6000108.8G210 P214G210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-P214 WeakPolarHBondContact O-CD 3.49Å
213E47.4Very low68.1Low116 Ų11682 Ų8254%0.54247%0.472SS..  trans-91.7111.7171.1-68.5-62.7151.800109.5R211 G215R211-E213 HydrophobicContact CB-CG 4.22Å; R211-E213 PolarHBondContact O-N 3.24Å; E213-G215 PolarHBondContact O-N 3.05Å
214P46.8Very low67.9Low127 Ų12782.6 Ų82.683%0.82548%0.475SS*.THydrogen-bonded Turntrans-69115.717726.9-31.2000110.1P212P212-P214 WeakPolarHBondContact O-CD 3.49Å
215G53.5Low67.8Low88 Ų8884.9 Ų84.991%0.90749%0.486SS*.THydrogen-bonded Turntrans104.11.9167.500000116.8E213E213-G215 PolarHBondContact O-N 3.05Å
216R45.1Very low67.8Low196 Ų19682.4 Ų82.474%0.7448%0.48SS*.SBendtrans-108.7115.4168.1-143176.9-153.4-133.36.1108.5T218R216-T218 PolarHBondContact O-N 3.39Å
217G40.7Very low68Low59 Ų5985 Ų8561%0.60849%0.491SS*.  trans-50.5133.7177.700000111.3S219G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.2Å; G217-S219 PolarHBondContact O-OG 3.3Å
218T43.5Very low68.1Low141 Ų14185.2 Ų85.287%0.86549%0.493SS*.  trans0.272168.8550000114.9R216 H220R216-T218 PolarHBondContact O-N 3.39Å; T218-H220 PolarHBondContact O-N 3.04Å
219S42.7Very low68.4Low68 Ų6892.7 Ų92.748%0.47652%0.52SS..THydrogen-bonded Turntrans-94.7108-179.6-65.90000107.4G217G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.2Å; G217-S219 PolarHBondContact O-OG 3.3Å
220H51.3Low69Low170 Ų17094.1 Ų94.179%0.78753%0.526SS*.THydrogen-bonded Turntrans84.462.9-177-43.4-67.4000115.4T218 L222T218-H220 PolarHBondContact O-N 3.04Å; H220-L222 PolarHBondContact O-N 3.14Å; H220-L222 VanDerWaalsContact O-N 3.14Å
221S64.3Low70.7Confident108 Ų10892.3 Ų92.376%0.75551%0.508SS*.  trans-55.5114.1157.9-179.30000108.4D223S221-D223 PolarHBondContact O-N 2.87Å
222L83.3Confident72.7Confident33 Ų3387.1 Ų87.117%0.17349%0.49CS..  trans-66.7124.2171.4178.563.1000108R181 L192 L208 H220 L224R181-L222 HydrophobicContact CB-CD1 4.04Å; L192-L222 HydrophobicContact CB-CD2 4.42Å; L192-L222 HydrophobicContact CD2-CD2 3.6Å; L208-L222 HydrophobicContact CD2-CD2 4.17Å; H220-L222 PolarHBondContact O-N 3.14Å; H220-L222 VanDerWaalsContact O-N 3.14Å; L222-L224 HydrophobicContact CD2-CD2 3.75Å; L222-L224 HydrophobicContact CG-CD2 3.99Å; L222-L224 PolarHBondContact O-N 3.08Å; L222-L224 VanDerWaalsContact O-N 3.17Å
223D90.2Very high75.1Confident95 Ų9581.6 Ų81.651%0.50845%0.454SS..  trans-74.3104.4171.9-175.22000109.5S221 Q225 L226S221-D223 PolarHBondContact O-N 2.87Å; D223-Q225 PolarHBondContact O-N 2.95Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.46Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.49Å; D223-Q225 PolarHBondContact OD1-N 3.41Å; D223-L226 HydrophobicContact CB-CB 4.34Å; D223-L226 PolarHBondContact OD1-N 2.9Å
224L93.4Very high77.5Confident12 Ų1276.2 Ų76.26%0.06343%0.429CS..THydrogen-bonded Turntrans-77.5-9.6178.3-60.6-179.7000112.9L192 L208 L222 N253 A255L192-L224 HydrophobicContact CD2-CD2 3.57Å; L208-L224 HydrophobicContact CD2-CD1 4.49Å; L208-L224 HydrophobicContact CD2-CD2 3.65Å; L222-L224 HydrophobicContact CD2-CD2 3.75Å; L222-L224 HydrophobicContact CG-CD2 3.99Å; L222-L224 PolarHBondContact O-N 3.08Å; L222-L224 VanDerWaalsContact O-N 3.17Å; L224-N253 HydrophobicContact CD1-CB 4.08Å; L224-N253 VanDerWaalsContact CD1-O 3.25Å; L224-N253 WeakPolarHBondContact CD1-O 3.39Å; L224-A255 HydrophobicContact CB-CB 4.24Å; L224-A255 HydrophobicContact CD1-CB 4.08Å
225Q94.9Very high79.9Confident49 Ų4970.3 Ų70.323%0.22939%0.39CS..THydrogen-bonded Turntrans-96-9179.1-50.7-39-54.500112.4D223 Q227 D256 V259D223-Q225 PolarHBondContact O-N 2.95Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.46Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.49Å; D223-Q225 PolarHBondContact OD1-N 3.41Å; Q225-Q227 WeakPolarHBondContact O-CG 3.33Å; Q225-Q227 PolarHBondContact O-N 3.25Å; Q225-D256 HydrophobicContact CG-CB 4.32Å; Q225-V259 VanDerWaalsContact OE1-CB 3.22Å
226L95.9Very high82.1Confident54 Ų5466.1 Ų66.128%0.28335%0.347SS..  trans-53.8127.9172.4-178.865.4000109.5Q184 T190 H193 D223Q184-L226 HydrophobicContact CG-CD2 4.4Å; T190-L226 HydrophobicContact CG2-CD2 3.63Å; H193-L226 PolarHBondContact CE1-O 3.04Å; H193-L226 PolarHBondContact NE2-O 3.02Å; H193-L226 VanDerWaalsContact NE2-O 3.12Å; D223-L226 HydrophobicContact CB-CB 4.34Å; D223-L226 PolarHBondContact OD1-N 2.9Å
227Q97.4Very high84.6Confident62 Ų6257.2 Ų57.229%0.2931%0.314SS..  trans-102.5144.7-177.9-59.1-175-13.600110.5Q184 Q225 G231 A233 Q260Q184-Q227 PolarHBondContact NE2-O 2.86Å; Q225-Q227 WeakPolarHBondContact O-CG 3.33Å; Q225-Q227 PolarHBondContact O-N 3.25Å; Q227-G231 PolarHBondContact OE1-O 3.36Å; Q227-A233 HydrophobicContact CG-CB 4.35Å; Q227-Q260 PolarHBondContact NE2-O 3.37Å
228N97.8Very high87.4Confident8 Ų854.4 Ų54.44%0.04329%0.285CS..  trans-72.9-178.7167.673.16.1000111.6G188 D189 Q230 G231 L232G188-N228 VanDerWaalsContact O-CA 3.28Å; G188-N228 WeakPolarHBondContact O-CA 3.42Å; G188-N228 VanDerWaalsContact O-CB 3.31Å; G188-N228 WeakPolarHBondContact O-CB 3.44Å; D189-N228 VanDerWaalsContact OD1-CB 3.24Å; D189-N228 WeakPolarHBondContact OD1-CB 3.47Å; D189-N228 PolarHBondContact OD1-ND2 3.11Å; N228-Q230 PolarHBondContact O-N 2.77Å; N228-Q230 VanDerWaalsContact O-N 3.11Å; N228-Q230 WeakPolarHBondContact OD1-CA 3.47Å; N228-Q230 WeakPolarHBondContact OD1-CB 3.36Å; N228-Q230 PolarHBondContact OD1-N 3.04Å; N228-G231 PolarHBondContact O-N 3.3Å; N228-G231 PolarHBondContact OD1-N 3.34Å; N228-L232 PolarHBondContact N-O 2.89Å; N228-L232 PolarHBondContact OD1-N 2.93Å; N228-L232 PolarHBondContact OD1-O 3.32Å
229W97.4Very high90Very high174 Ų17447.7 Ų47.766%0.65924%0.244SC*.THydrogen-bonded Turntrans-70.3-8.6-177.5-59.5-16.7000114R186 H187 G231R186-W229 WeakPolarHBondContact O-CZ3 3.48Å; H187-W229 WeakPolarHBondContact O-CB 3.4Å; H187-W229 PolarHBondContact O-N 3.38Å; H187-W229 VanDerWaalsContact O-N 3.07Å; W229-G231 VanDerWaalsContact C-N 3.29Å
230Q96.8Very high92.6Very high123 Ų12348 Ų4858%0.57524%0.24SC*.THydrogen-bonded Turntrans-87.81.4169.8-57.1177.4-23.900112.1N228 L232 T263N228-Q230 PolarHBondContact O-N 2.77Å; N228-Q230 VanDerWaalsContact O-N 3.11Å; N228-Q230 WeakPolarHBondContact OD1-CA 3.47Å; N228-Q230 WeakPolarHBondContact OD1-CB 3.36Å; N228-Q230 PolarHBondContact OD1-N 3.04Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 HydrophobicContact CB-CD1 4.24Å; Q230-L232 HydrophobicContact CB-CG 4.18Å; Q230-T263 WeakPolarHBondContact O-CG2 3.41Å
231G97.7Very high94.8Very high9 Ų943.2 Ų43.29%0.09322%0.218CC..SBendtrans76.215.7-175.900000113.5Q227 N228 W229 E261 G262Q227-G231 PolarHBondContact OE1-O 3.36Å; N228-G231 PolarHBondContact O-N 3.3Å; N228-G231 PolarHBondContact OD1-N 3.34Å; W229-G231 VanDerWaalsContact C-N 3.29Å; G231-E261 CarbonylContact O-C 3.52Å; G231-E261 WeakPolarHBondContact O-CA 3.25Å; G231-E261 VanDerWaalsContact O-CB 3.25Å; G231-E261 WeakPolarHBondContact O-CB 3.18Å; G231-G262 PolarHBondContact O-N 3.41Å
232L98.4Very high96.4Very high22 Ų2242.7 Ų42.712%0.11520%0.202CC..  trans-100.8118.8-177-59.3175.4000110.9H193 N228 Q230 H236 I237 L240 E261H193-L232 PolarHBondContact CD2-O 3.46Å; H193-L232 PolarHBondContact NE2-O 2.84Å; N228-L232 PolarHBondContact N-O 2.89Å; N228-L232 PolarHBondContact OD1-N 2.93Å; N228-L232 PolarHBondContact OD1-O 3.32Å; Q230-L232 VanDerWaalsContact C-N 3.3Å; Q230-L232 HydrophobicContact CB-CD1 4.24Å; Q230-L232 HydrophobicContact CB-CG 4.18Å; L232-H236 HydrophobicContact CB-CB 4.25Å; L232-H236 HydrophobicContact CD2-CB 3.81Å; L232-I237 HydrophobicContact CB-CG1 4.08Å; L232-I237 HydrophobicContact CD1-CG1 4.36Å; L232-L240 HydrophobicContact CD1-CD1 4.14Å; L232-E261 HydrophobicContact CD2-CB 3.86Å; L232-E261 HydrophobicContact CD2-CG 4.31Å
233A98.2Very high97Very high0 Ų042.1 Ų42.10%020%0.199CC..  trans-70.5164.515900000112.5Q227 L235 H236 I237 V259Q227-A233 HydrophobicContact CG-CB 4.35Å; A233-L235 VanDerWaalsContact C-N 3.28Å; A233-L235 PolarHBondContact O-N 3.22Å; A233-H236 PolarHBondContact N-ND1 2.79Å; A233-H236 WeakPolarHBondContact O-CB 3.25Å; A233-H236 PolarHBondContact O-N 3.19Å; A233-I237 PolarHBondContact O-N 2.99Å; A233-V259 HydrophobicContact CB-CG1 4.47Å; A233-V259 HydrophobicContact CB-CG2 4.46Å
234C98.2Very high97.4Very high3 Ų341 Ų412%0.0219%0.191CC..Hα-helixtrans-55.3-37.5-179.1-720000113.8L192 H236 I237 A238 L250L192-C234 HydrophobicContact CD2-CB 4.42Å; L192-C234 HydrophobicContact CG-CB 4.47Å; C234-H236 VanDerWaalsContact C-N 3.33Å; C234-H236 PolarHBondContact O-N 3.44Å; C234-I237 PolarHBondContact O-N 3.07Å; C234-A238 WeakPolarHBondContact O-CB 3.44Å; C234-A238 PolarHBondContact O-N 3.28Å; C234-L250 HydrophobicContact CB-CD1 4.03Å; C234-L250 HydrophobicContact CB-CD2 3.97Å
235L98.3Very high97.6Very high2 Ų243.4 Ų43.41%0.0121%0.207CC..Hα-helixtrans-63.9-37.8178.5-176.163.9000111.9A233 A238 T239 M247 L251 D256 A268A233-L235 VanDerWaalsContact C-N 3.28Å; A233-L235 PolarHBondContact O-N 3.22Å; L235-A238 PolarHBondContact O-N 3.37Å; L235-T239 WeakPolarHBondContact O-CB 3.37Å; L235-T239 PolarHBondContact O-N 3.06Å; L235-T239 PolarHBondContact O-OG1 3.21Å; L235-M247 HydrophobicContact CD1-CB 4.19Å; L235-M247 HydrophobicContact CD1-CG 4.26Å; L235-L251 HydrophobicContact CD1-CD2 4.26Å; L235-L251 HydrophobicContact CD1-CG 4.24Å; L235-L251 HydrophobicContact CD2-CD2 3.97Å; L235-D256 WeakPolarHBondContact CD2-O 3.41Å; L235-A268 HydrophobicContact CD2-CB 3.92Å; L235-A268 HydrophobicContact CG-CB 4Å
236H98.6Very high97.7Very high0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-63.7-46.3175.4-59.2125.7000111.4L232 A233 C234 A238 T239 L240 V259 E261 K266 L271L232-H236 HydrophobicContact CB-CB 4.25Å; L232-H236 HydrophobicContact CD2-CB 3.81Å; A233-H236 PolarHBondContact N-ND1 2.79Å; A233-H236 WeakPolarHBondContact O-CB 3.25Å; A233-H236 PolarHBondContact O-N 3.19Å; C234-H236 VanDerWaalsContact C-N 3.33Å; C234-H236 PolarHBondContact O-N 3.44Å; H236-A238 PolarHBondContact O-N 2.89Å; H236-T239 WeakPolarHBondContact O-CB 3.39Å; H236-T239 PolarHBondContact O-N 3.46Å; H236-L240 WeakPolarHBondContact O-CG 3.24Å; H236-L240 PolarHBondContact O-N 3.02Å; H236-V259 PolarHBondContact NE2-O 2.95Å; H236-E261 PolarHBondContact CE1-N 2.86Å; H236-E261 VanDerWaalsContact CE1-N 3.32Å; H236-K266 PolarHBondContact NE2-O 2.8Å; H236-L271 HydrophobicContact CB-CD1 3.6Å
237I98.5Very high97.8Very high10 Ų1038.5 Ų38.55%0.05118%0.183CC..Hα-helixtrans-60.6-48.4177.6-60.1-179.1000110.3H193 C196 Q197 L232 A233 C234 T239 L240 Q241H193-I237 HydrophobicContact CB-CD1 4.05Å; C196-I237 HydrophobicContact CB-CB 4.08Å; C196-I237 HydrophobicContact CB-CG2 3.79Å; Q197-I237 HydrophobicContact CB-CG2 4.03Å; L232-I237 HydrophobicContact CB-CG1 4.08Å; L232-I237 HydrophobicContact CD1-CG1 4.36Å; A233-I237 PolarHBondContact O-N 2.99Å; C234-I237 PolarHBondContact O-N 3.07Å; I237-T239 PolarHBondContact O-N 2.98Å; I237-L240 PolarHBondContact O-N 3.21Å; I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.41Å; I237-Q241 PolarHBondContact O-N 3.41Å
238A98.2Very high97.8Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-58.8-37.9178.200000112.4C234 L235 H236 Q241 K242 N243 L246 M247 L250C234-A238 WeakPolarHBondContact O-CB 3.44Å; C234-A238 PolarHBondContact O-N 3.28Å; L235-A238 PolarHBondContact O-N 3.37Å; H236-A238 PolarHBondContact O-N 2.89Å; A238-Q241 PolarHBondContact O-N 2.99Å; A238-K242 PolarHBondContact O-N 3.11Å; A238-N243 PolarHBondContact O-N 3.07Å; A238-L246 HydrophobicContact CB-CB 4.38Å; A238-L246 HydrophobicContact CB-CD2 3.63Å; A238-L246 HydrophobicContact CB-CG 4Å; A238-M247 HydrophobicContact CB-CG 3.7Å; A238-L250 HydrophobicContact CB-CD1 3.85Å
239T98.2Very high97.8Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-66-47.1175.7-54.30000111.8L235 H236 I237 Q241 K242 M247 A268 L271 A272L235-T239 WeakPolarHBondContact O-CB 3.37Å; L235-T239 PolarHBondContact O-N 3.06Å; L235-T239 PolarHBondContact O-OG1 3.21Å; H236-T239 WeakPolarHBondContact O-CB 3.39Å; H236-T239 PolarHBondContact O-N 3.46Å; I237-T239 PolarHBondContact O-N 2.98Å; T239-Q241 VanDerWaalsContact C-N 3.25Å; T239-Q241 PolarHBondContact O-N 3.13Å; T239-K242 WeakPolarHBondContact O-CA 3.33Å; T239-K242 PolarHBondContact O-N 3.28Å; T239-M247 HydrophobicContact CG2-CE 4.2Å; T239-M247 WeakPolarHBondContact OG1-CE 3.36Å; T239-A268 WeakPolarHBondContact CG2-O 3.49Å; T239-L271 HydrophobicContact CG2-CB 3.94Å; T239-A272 HydrophobicContact CG2-CB 4.02Å
240L97.9Very high97.8Very high74 Ų7430.5 Ų30.539%0.38715%0.153SC..Hα-helixtrans-62.1-33.8176.9-71.9170.3000112.3L232 H236 I237 K242 L271L232-L240 HydrophobicContact CD1-CD1 4.14Å; H236-L240 WeakPolarHBondContact O-CG 3.24Å; H236-L240 PolarHBondContact O-N 3.02Å; I237-L240 PolarHBondContact O-N 3.21Å; L240-K242 PolarHBondContact O-N 3.11Å; L240-L271 HydrophobicContact CD2-CB 4.44Å; L240-L271 HydrophobicContact CD2-CD2 4.25Å; L240-L271 HydrophobicContact CG-CD1 4.25Å
241Q97.7Very high97.7Very high69 Ų6926.4 Ų26.432%0.32214%0.135SC..THydrogen-bonded Turntrans-77-1.6174.1-65.6-56.1-37.400113.8Q199 I237 A238 T239 N243Q199-Q241 HydrophobicContact CG-CB 4.05Å; Q199-Q241 HydrophobicContact CG-CG 4.23Å; I237-Q241 HydrophobicContact CG2-CG 4.33Å; I237-Q241 VanDerWaalsContact O-CG 3.3Å; I237-Q241 WeakPolarHBondContact O-CG 3.41Å; I237-Q241 PolarHBondContact O-N 3.41Å; A238-Q241 PolarHBondContact O-N 2.99Å; T239-Q241 VanDerWaalsContact C-N 3.25Å; T239-Q241 PolarHBondContact O-N 3.13Å; Q241-N243 HydrophobicContact CB-CB 4.38Å; Q241-N243 PolarHBondContact O-N 2.85Å; Q241-N243 VanDerWaalsContact O-N 3.17Å
242K97.4Very high97.6Very high98 Ų9832.6 Ų32.643%0.42616%0.161SC..THydrogen-bonded Turntrans56.227.3-177-54.7174.3169.8-165.10113.6A238 T239 L240 Q244 T275 E277 L280A238-K242 PolarHBondContact O-N 3.11Å; T239-K242 WeakPolarHBondContact O-CA 3.33Å; T239-K242 PolarHBondContact O-N 3.28Å; L240-K242 PolarHBondContact O-N 3.11Å; K242-Q244 PolarHBondContact O-N 3.11Å; K242-T275 HydrophobicContact CG-CG2 4.38Å; K242-T275 PolarHBondContact NZ-O 3.23Å; K242-E277 HydrophobicContact CD-CG 3.62Å; K242-E277 VanDerWaalsContact CE-CG 3.48Å; K242-E277 HydrophobicContact CG-CG 3.98Å; K242-E277 IonicContact NZ-OE1 2.72Å; K242-E277 PolarHBondContact NZ-OE1 3.17Å; K242-L280 HydrophobicContact CB-CD1 3.88Å; K242-L280 HydrophobicContact CG-CD1 4.03Å
243N96.6Very high97.3Very high21 Ų2135 Ų3511%0.11217%0.174CC..  trans-97.484.5-172.6-170.3-30000110.9Q199 A238 Q241 P245 L246 M247Q199-N243 WeakPolarHBondContact CB-ND2 3.4Å; A238-N243 PolarHBondContact O-N 3.07Å; Q241-N243 HydrophobicContact CB-CB 4.38Å; Q241-N243 PolarHBondContact O-N 2.85Å; Q241-N243 VanDerWaalsContact O-N 3.17Å; N243-P245 VanDerWaalsContact OD1-CD 3.29Å; N243-P245 WeakPolarHBondContact OD1-CD 3.32Å; N243-L246 HydrophobicContact CB-CB 4.07Å; N243-L246 PolarHBondContact O-N 3.21Å; N243-L246 WeakPolarHBondContact OD1-CB 3.44Å; N243-L246 PolarHBondContact OD1-N 3.32Å; N243-L246 VanDerWaalsContact OD1-N 3.11Å; N243-M247 WeakPolarHBondContact O-CG 3.34Å; N243-M247 PolarHBondContact O-N 3.22Å
244Q97.1Very high97.1Very high71 Ų7137.9 Ų37.933%0.33220%0.204SC..Hα-helixtrans-56.9-44.8179.8-174.3-174.4-38.500113.7K242 L246 M247 E248 L280 F283K242-Q244 PolarHBondContact O-N 3.11Å; Q244-L246 PolarHBondContact O-N 3.09Å; Q244-M247 WeakPolarHBondContact O-CB 3.4Å; Q244-M247 PolarHBondContact O-N 3.21Å; Q244-M247 VanDerWaalsContact O-N 3.1Å; Q244-E248 HydrophobicContact CG-CG 4.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.05Å; Q244-E248 WeakPolarHBondContact O-CG 3.48Å; Q244-E248 PolarHBondContact O-N 2.89Å; Q244-L280 HydrophobicContact CB-CD2 3.97Å; Q244-F283 HydrophobicContact CG-CD1 4.18Å; Q244-F283 HydrophobicContact CG-CD2 3.88Å; Q244-F283 HydrophobicContact CG-CE1 4.38Å; Q244-F283 HydrophobicContact CG-CE2 4.09Å; Q244-F283 HydrophobicContact CG-CG 3.93Å; Q244-F283 HydrophobicContact CG-CZ 4.34Å
245P97.9Very high97Very high63 Ų6338.2 Ų38.241%0.40921%0.207SC..Hα-helixtrans-56.6-35.4177.1-27.734.4000114.2L201 N243 L249L201-P245 HydrophobicContact CD1-CB 4.5Å; L201-P245 HydrophobicContact CD2-CB 4.06Å; N243-P245 VanDerWaalsContact OD1-CD 3.29Å; N243-P245 WeakPolarHBondContact OD1-CD 3.32Å; P245-L249 WeakPolarHBondContact O-CB 3.35Å; P245-L249 PolarHBondContact O-N 3.05Å; P245-L249 VanDerWaalsContact O-N 3.11Å
246L97.6Very high96.9Very high0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-74.9-39.6177.1-174.972.9000111.6C196 L201 A204 A238 N243 Q244 L249 L250C196-L246 VanDerWaalsContact CA-CD2 3.48Å; C196-L246 HydrophobicContact CB-CD2 3.75Å; L201-L246 HydrophobicContact CD1-CB 4.32Å; L201-L246 HydrophobicContact CD1-CD1 4.04Å; A204-L246 HydrophobicContact CB-CD1 3.53Å; A238-L246 HydrophobicContact CB-CB 4.38Å; A238-L246 HydrophobicContact CB-CD2 3.63Å; A238-L246 HydrophobicContact CB-CG 4Å; N243-L246 HydrophobicContact CB-CB 4.07Å; N243-L246 PolarHBondContact O-N 3.21Å; N243-L246 WeakPolarHBondContact OD1-CB 3.44Å; N243-L246 PolarHBondContact OD1-N 3.32Å; N243-L246 VanDerWaalsContact OD1-N 3.11Å; Q244-L246 PolarHBondContact O-N 3.09Å; L246-L249 WeakPolarHBondContact O-CB 3.47Å; L246-L249 PolarHBondContact O-N 3.01Å; L246-L250 HydrophobicContact CG-CD1 4.47Å; L246-L250 VanDerWaalsContact O-CG 3.32Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.9Å
247M98.1Very high96.9Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-59.8-46.2172.4-63.8169.568.200111.2L235 A238 T239 N243 Q244 L249 L250 L251 L280 F283 L284L235-M247 HydrophobicContact CD1-CB 4.19Å; L235-M247 HydrophobicContact CD1-CG 4.26Å; A238-M247 HydrophobicContact CB-CG 3.7Å; T239-M247 HydrophobicContact CG2-CE 4.2Å; T239-M247 WeakPolarHBondContact OG1-CE 3.36Å; N243-M247 WeakPolarHBondContact O-CG 3.34Å; N243-M247 PolarHBondContact O-N 3.22Å; Q244-M247 WeakPolarHBondContact O-CB 3.4Å; Q244-M247 PolarHBondContact O-N 3.21Å; Q244-M247 VanDerWaalsContact O-N 3.1Å; M247-L249 VanDerWaalsContact C-N 3.31Å; M247-L249 PolarHBondContact O-N 3.35Å; M247-L250 PolarHBondContact O-N 3.17Å; M247-L251 VanDerWaalsContact O-CG 3.32Å; M247-L251 WeakPolarHBondContact O-CG 3.49Å; M247-L251 PolarHBondContact O-N 3.46Å; M247-L280 HydrophobicContact SD-CD2 4Å; M247-F283 HydrophobicContact CB-CE1 3.86Å; M247-F283 HydrophobicContact CB-CZ 4.43Å; M247-F283 HydrophobicContact CE-CD1 4.01Å; M247-F283 HydrophobicContact CE-CE1 3.99Å; M247-L284 HydrophobicContact CE-CD1 3.92Å; M247-L284 HydrophobicContact CE-CD2 3.55Å; M247-L284 HydrophobicContact CE-CG 3.75Å
248E97.6Very high96.9Very high68 Ų6844.8 Ų44.832%0.31824%0.242SC..Hα-helixtrans-55.7-46.5174.5-76.3174.3-165.900111.6Q244 L250 L251 Q252 F283Q244-E248 HydrophobicContact CG-CG 4.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.05Å; Q244-E248 WeakPolarHBondContact O-CG 3.48Å; Q244-E248 PolarHBondContact O-N 2.89Å; E248-L250 PolarHBondContact O-N 3.48Å; E248-L251 PolarHBondContact O-N 3.35Å; E248-Q252 WeakPolarHBondContact O-CB 3.4Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-F283 HydrophobicContact CB-CZ 4.35Å; E248-F283 HydrophobicContact CG-CD2 4.48Å; E248-F283 HydrophobicContact CG-CE2 3.35Å; E248-F283 HydrophobicContact CG-CZ 3.39Å
249L96.9Very high96.9Very high7 Ų745.6 Ų45.64%0.03725%0.247CC..Hα-helixtrans-61.2-43.8178.5-178.768000112L201 A204 R205 L208 P245 L246 M247 N253L201-L249 HydrophobicContact CD1-CB 4.44Å; L201-L249 HydrophobicContact CD1-CD2 3.86Å; A204-L249 HydrophobicContact CB-CD2 4Å; R205-L249 HydrophobicContact CB-CD2 4.38Å; R205-L249 HydrophobicContact CG-CD1 3.91Å; R205-L249 HydrophobicContact CG-CD2 3.51Å; R205-L249 HydrophobicContact CG-CG 4.38Å; L208-L249 HydrophobicContact CD1-CD1 4.34Å; L208-L249 HydrophobicContact CD1-CD2 3.76Å; L208-L249 HydrophobicContact CD1-CG 3.61Å; P245-L249 WeakPolarHBondContact O-CB 3.35Å; P245-L249 PolarHBondContact O-N 3.05Å; P245-L249 VanDerWaalsContact O-N 3.11Å; L246-L249 WeakPolarHBondContact O-CB 3.47Å; L246-L249 PolarHBondContact O-N 3.01Å; M247-L249 VanDerWaalsContact C-N 3.31Å; M247-L249 PolarHBondContact O-N 3.35Å; L249-N253 PolarHBondContact O-N 3.3Å; L249-N253 PolarHBondContact O-ND2 3.23Å
250L97Very high96.9Very high0 Ų049.7 Ų49.70%027%0.266CS..Hα-helixtrans-65-47.2179-69.8168000111.6L192 L208 C234 A238 L246 M247 E248 Q252 N253 G254 A255L192-L250 HydrophobicContact CD2-CD2 3.9Å; L192-L250 HydrophobicContact CG-CD2 4.46Å; L208-L250 HydrophobicContact CD1-CD2 4.28Å; C234-L250 HydrophobicContact CB-CD1 4.03Å; C234-L250 HydrophobicContact CB-CD2 3.97Å; A238-L250 HydrophobicContact CB-CD1 3.85Å; L246-L250 HydrophobicContact CG-CD1 4.47Å; L246-L250 VanDerWaalsContact O-CG 3.32Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.9Å; M247-L250 PolarHBondContact O-N 3.17Å; E248-L250 PolarHBondContact O-N 3.48Å; L250-Q252 PolarHBondContact O-N 2.94Å; L250-N253 CarbonylContact O-C 3.58Å; L250-N253 PolarHBondContact O-N 2.92Å; L250-N253 VanDerWaalsContact O-N 3.1Å; L250-G254 PolarHBondContact O-N 3.45Å; L250-A255 HydrophobicContact CB-CB 3.98Å; L250-A255 VanDerWaalsContact O-CB 3.27Å; L250-A255 WeakPolarHBondContact O-CB 3.41Å; L250-A255 PolarHBondContact O-N 2.89Å
251L96.2Very high96.8Very high37 Ų3746.5 Ų46.519%0.19425%0.249CC..Hα-helixtrans-63-41.3179-67.7173000111.8L235 M247 E248 N253 G254 I257 F283 A287L235-L251 HydrophobicContact CD1-CD2 4.26Å; L235-L251 HydrophobicContact CD1-CG 4.24Å; L235-L251 HydrophobicContact CD2-CD2 3.97Å; M247-L251 VanDerWaalsContact O-CG 3.32Å; M247-L251 WeakPolarHBondContact O-CG 3.49Å; M247-L251 PolarHBondContact O-N 3.46Å; E248-L251 PolarHBondContact O-N 3.35Å; L251-N253 PolarHBondContact O-N 3.5Å; L251-G254 PolarHBondContact O-N 2.97Å; L251-I257 HydrophobicContact CD1-CD1 4.23Å; L251-I257 HydrophobicContact CD2-CB 3.83Å; L251-I257 HydrophobicContact CD2-CD1 4.21Å; L251-I257 HydrophobicContact CD2-CG1 4.03Å; L251-F283 HydrophobicContact CD1-CE1 3.93Å; L251-F283 HydrophobicContact CD1-CZ 3.92Å; L251-A287 HydrophobicContact CD1-CB 4.06Å
252Q94.8Very high96.7Very high140 Ų14045.6 Ų45.665%0.65426%0.258SS*.Hα-helixtrans-61.7-26.2174.8-74.9169.312.700113.2E248 L250 G254E248-Q252 WeakPolarHBondContact O-CB 3.4Å; E248-Q252 WeakPolarHBondContact O-CG 3.46Å; E248-Q252 PolarHBondContact O-N 3.47Å; L250-Q252 PolarHBondContact O-N 2.94Å; Q252-G254 VanDerWaalsContact C-N 3.35Å
253N93Very high96.7Very high73 Ų7345.8 Ų45.839%0.3927%0.268SS..THydrogen-bonded Turntrans-94.912.5177.3-75.5-88.9000113L208 L224 L249 L250 L251L208-N253 HydrophobicContact CD1-CB 4.43Å; L208-N253 HydrophobicContact CD2-CB 4.1Å; L224-N253 HydrophobicContact CD1-CB 4.08Å; L224-N253 VanDerWaalsContact CD1-O 3.25Å; L224-N253 WeakPolarHBondContact CD1-O 3.39Å; L249-N253 PolarHBondContact O-N 3.3Å; L249-N253 PolarHBondContact O-ND2 3.23Å; L250-N253 CarbonylContact O-C 3.58Å; L250-N253 PolarHBondContact O-N 2.92Å; L250-N253 VanDerWaalsContact O-N 3.1Å; L251-N253 PolarHBondContact O-N 3.5Å
254G92.7Very high96.7Very high60 Ų6046.2 Ų46.262%0.61927%0.272SS*.THydrogen-bonded Turntrans87.724.1173.400000114.6L250 L251 Q252 D256L250-G254 PolarHBondContact O-N 3.45Å; L251-G254 PolarHBondContact O-N 2.97Å; Q252-G254 VanDerWaalsContact C-N 3.35Å; G254-D256 PolarHBondContact O-N 2.71Å
255A95.9Very high96.7Very high10 Ų1042.9 Ų42.98%0.08326%0.257CS..  trans-63.2130.4166.100000109.7L224 L250 I257L224-A255 HydrophobicContact CB-CB 4.24Å; L224-A255 HydrophobicContact CD1-CB 4.08Å; L250-A255 HydrophobicContact CB-CB 3.98Å; L250-A255 VanDerWaalsContact O-CB 3.27Å; L250-A255 WeakPolarHBondContact O-CB 3.41Å; L250-A255 PolarHBondContact O-N 2.89Å; A255-I257 PolarHBondContact O-N 3.35Å
256D97.4Very high96.7Very high82 Ų8241.5 Ų41.544%0.43924%0.244SC..  trans-65.5124.4171.4-175.3-0.4000109.2Q225 L235 G254 D258 V259Q225-D256 HydrophobicContact CG-CB 4.32Å; L235-D256 WeakPolarHBondContact CD2-O 3.41Å; G254-D256 PolarHBondContact O-N 2.71Å; D256-D258 VanDerWaalsContact C-N 3.3Å; D256-D258 PolarHBondContact OD1-N 3.19Å; D256-V259 HydrophobicContact CB-CB 4.29Å; D256-V259 VanDerWaalsContact O-CG1 3.3Å; D256-V259 WeakPolarHBondContact O-CG1 3.36Å
257I98.1Very high96.8Very high21 Ų2141.6 Ų41.611%0.10825%0.245CC..THydrogen-bonded Turntrans-74.1-25.8-177.5-167.1162.3000112.3L251 A255 L284 A287 A289L251-I257 HydrophobicContact CD1-CD1 4.23Å; L251-I257 HydrophobicContact CD2-CB 3.83Å; L251-I257 HydrophobicContact CD2-CD1 4.21Å; L251-I257 HydrophobicContact CD2-CG1 4.03Å; A255-I257 PolarHBondContact O-N 3.35Å; I257-L284 HydrophobicContact CD1-CD2 4.04Å; I257-L284 HydrophobicContact CG1-CD2 4.07Å; I257-A287 HydrophobicContact CD1-CB 3.59Å; I257-A289 HydrophobicContact CD1-CB 3.76Å; I257-A289 HydrophobicContact CG1-CB 3.86Å
258D98.1Very high96.8Very high47 Ų4741.6 Ų41.625%0.25125%0.245SC..THydrogen-bonded Turntrans-106.413.6-175.6-66.1-42.8000112.5D256 Q260 T267 Q290D256-D258 VanDerWaalsContact C-N 3.3Å; D256-D258 PolarHBondContact OD1-N 3.19Å; D258-Q260 PolarHBondContact O-N 3.44Å; D258-T267 WeakPolarHBondContact O-CG2 3.36Å; D258-Q290 PolarHBondContact OD1-N 3.35Å; D258-Q290 WeakPolarHBondContact OD2-CB 3.48Å; D258-Q290 PolarHBondContact OD2-N 2.98Å
259V97.9Very high96.8Very high16 Ų1638.3 Ų38.310%0.09723%0.23CC..PPolyproline II helixtrans-52.3136169.964.10000110Q225 A233 H236 D256 T267Q225-V259 VanDerWaalsContact OE1-CB 3.22Å; A233-V259 HydrophobicContact CB-CG1 4.47Å; A233-V259 HydrophobicContact CB-CG2 4.46Å; H236-V259 PolarHBondContact NE2-O 2.95Å; D256-V259 HydrophobicContact CB-CB 4.29Å; D256-V259 VanDerWaalsContact O-CG1 3.3Å; D256-V259 WeakPolarHBondContact O-CG1 3.36Å; V259-T267 WeakPolarHBondContact O-CA 3.35Å
260Q98.3Very high96.9Very high87 Ų8738 Ų3841%0.40723%0.228SC..PPolyproline II helixtrans-101.1130.1-179.9-69.6-172-28.900110.3Q227 D258 T267 R294Q227-Q260 PolarHBondContact NE2-O 3.37Å; D258-Q260 PolarHBondContact O-N 3.44Å; Q260-T267 HydrophobicContact CG-CG2 3.98Å; Q260-R294 PolarHBondContact NE2-O 3.11Å
261E97.6Very high96.9Very high7 Ų738.3 Ų38.33%0.03323%0.23CC..PPolyproline II helixtrans-69.8149.9171.964.472.9-148.900112.3G231 L232 H236 T263 S264 G265 K266G231-E261 CarbonylContact O-C 3.52Å; G231-E261 WeakPolarHBondContact O-CA 3.25Å; G231-E261 VanDerWaalsContact O-CB 3.25Å; G231-E261 WeakPolarHBondContact O-CB 3.18Å; L232-E261 HydrophobicContact CD2-CB 3.86Å; L232-E261 HydrophobicContact CD2-CG 4.31Å; H236-E261 PolarHBondContact CE1-N 2.86Å; H236-E261 VanDerWaalsContact CE1-N 3.32Å; E261-T263 VanDerWaalsContact C-N 3.34Å; E261-T263 VanDerWaalsContact CD-OG1 3.31Å; E261-T263 PolarHBondContact O-N 2.87Å; E261-T263 PolarHBondContact OE1-OG1 3.29Å; E261-T263 WeakPolarHBondContact OE2-CA 3.36Å; E261-T263 VanDerWaalsContact OE2-CB 3.28Å; E261-T263 WeakPolarHBondContact OE2-CB 3.5Å; E261-T263 PolarHBondContact OE2-N 2.95Å; E261-T263 PolarHBondContact OE2-OG1 2.85Å; E261-S264 VanDerWaalsContact OE1-CA 3.22Å; E261-S264 WeakPolarHBondContact OE1-CA 3.37Å; E261-S264 WeakPolarHBondContact OE1-CB 3.22Å; E261-S264 PolarHBondContact OE1-N 3.05Å; E261-S264 PolarHBondContact OE1-OG 3.41Å; E261-S264 PolarHBondContact OE2-N 2.76Å; E261-G265 VanDerWaalsContact O-CA 3.25Å; E261-G265 WeakPolarHBondContact O-CA 3.48Å; E261-G265 PolarHBondContact O-N 3.04Å; E261-G265 PolarHBondContact OE1-N 3.42Å; E261-K266 HydrophobicContact CG-CB 3.78Å; E261-K266 WeakPolarHBondContact CG-O 3.28Å; E261-K266 PolarHBondContact N-O 3.1Å; E261-K266 PolarHBondContact OE1-N 2.58Å; E261-K266 VanDerWaalsContact OE1-N 3.1Å
262G95.3Very high97Very high50 Ų5036.6 Ų36.652%0.51522%0.22SC..THydrogen-bonded Turntrans-71.5-14.9-16600000116.9G231G231-G262 PolarHBondContact O-N 3.41Å
263T96.1Very high97.2Very high102 Ų10229.9 Ų29.963%0.62619%0.189SC*.THydrogen-bonded Turntrans-90.9-46.1-173.569.20000113.8Q230 E261Q230-T263 WeakPolarHBondContact O-CG2 3.41Å; E261-T263 VanDerWaalsContact C-N 3.34Å; E261-T263 VanDerWaalsContact CD-OG1 3.31Å; E261-T263 PolarHBondContact O-N 2.87Å; E261-T263 PolarHBondContact OE1-OG1 3.29Å; E261-T263 WeakPolarHBondContact OE2-CA 3.36Å; E261-T263 VanDerWaalsContact OE2-CB 3.28Å; E261-T263 WeakPolarHBondContact OE2-CB 3.5Å; E261-T263 PolarHBondContact OE2-N 2.95Å; E261-T263 PolarHBondContact OE2-OG1 2.85Å
264S96.4Very high97.3Very high29 Ų2928.5 Ų28.520%0.20318%0.18CC..THydrogen-bonded Turntrans-130.11.6-176.166.90000113.5E261 K266 M295 L296E261-S264 VanDerWaalsContact OE1-CA 3.22Å; E261-S264 WeakPolarHBondContact OE1-CA 3.37Å; E261-S264 WeakPolarHBondContact OE1-CB 3.22Å; E261-S264 PolarHBondContact OE1-N 3.05Å; E261-S264 PolarHBondContact OE1-OG 3.41Å; E261-S264 PolarHBondContact OE2-N 2.76Å; S264-K266 VanDerWaalsContact C-N 3.29Å; S264-K266 VanDerWaalsContact OG-CD 3.3Å; S264-K266 WeakPolarHBondContact OG-CD 3.22Å; S264-K266 VanDerWaalsContact OG-CE 3.28Å; S264-K266 WeakPolarHBondContact OG-CE 3.41Å; S264-K266 VanDerWaalsContact OG-CG 3.3Å; S264-K266 WeakPolarHBondContact OG-CG 3.36Å; S264-M295 WeakPolarHBondContact O-CB 3.24Å; S264-L296 WeakPolarHBondContact O-CG 3.48Å; S264-L296 PolarHBondContact O-N 3.47Å
265G97.6Very high97.5Very high1 Ų126.7 Ų26.71%0.0116%0.157CC..  trans71.523.4-179.700000113.1E261E261-G265 VanDerWaalsContact O-CA 3.25Å; E261-G265 WeakPolarHBondContact O-CA 3.48Å; E261-G265 PolarHBondContact O-N 3.04Å; E261-G265 PolarHBondContact OE1-N 3.42Å
266K98.4Very high97.4Very high35 Ų3532 Ų3215%0.15218%0.18CC..  trans-70.1135.6177.3-74.1170.1-174.7174.70110.4H236 E261 S264 H270 L271 E274 M295H236-K266 PolarHBondContact NE2-O 2.8Å; E261-K266 HydrophobicContact CG-CB 3.78Å; E261-K266 WeakPolarHBondContact CG-O 3.28Å; E261-K266 PolarHBondContact N-O 3.1Å; E261-K266 PolarHBondContact OE1-N 2.58Å; E261-K266 VanDerWaalsContact OE1-N 3.1Å; S264-K266 VanDerWaalsContact C-N 3.29Å; S264-K266 VanDerWaalsContact OG-CD 3.3Å; S264-K266 WeakPolarHBondContact OG-CD 3.22Å; S264-K266 VanDerWaalsContact OG-CE 3.28Å; S264-K266 WeakPolarHBondContact OG-CE 3.41Å; S264-K266 VanDerWaalsContact OG-CG 3.3Å; S264-K266 WeakPolarHBondContact OG-CG 3.36Å; K266-H270 HydrophobicContact CB-CB 3.83Å; K266-H270 HydrophobicContact CG-CB 3.87Å; K266-L271 HydrophobicContact CB-CD2 4.1Å; K266-L271 HydrophobicContact CB-CG 4.33Å; K266-L271 HydrophobicContact CD-CD2 3.79Å; K266-E274 WeakPolarHBondContact CE-OE1 3.49Å; K266-E274 IonicContact NZ-OE1 2.68Å; K266-E274 PolarHBondContact NZ-OE1 3.27Å; K266-E274 IonicContact NZ-OE2 3.97Å; K266-E274 PolarHBondContact NZ-OE2 3.07Å; K266-M295 HydrophobicContact CD-CE 4.3Å; K266-M295 HydrophobicContact CD-SD 4.46Å; K266-M295 HydrophobicContact CG-CE 3.76Å; K266-M295 HydrophobicContact CG-CG 3.87Å; K266-M295 HydrophobicContact CG-SD 3.66Å
267T98.5Very high97.2Very high1 Ų131.9 Ų31.91%0.00618%0.177CC..  trans-86.7171.5166.565.70000110.8D258 V259 Q260 L269 H270 L271 A293D258-T267 WeakPolarHBondContact O-CG2 3.36Å; V259-T267 WeakPolarHBondContact O-CA 3.35Å; Q260-T267 HydrophobicContact CG-CG2 3.98Å; T267-L269 PolarHBondContact O-N 3.37Å; T267-L269 VanDerWaalsContact O-N 3.17Å; T267-L269 PolarHBondContact OG1-N 2.56Å; T267-H270 PolarHBondContact N-ND1 3.46Å; T267-H270 WeakPolarHBondContact O-CB 3.21Å; T267-H270 PolarHBondContact O-N 3.24Å; T267-H270 PolarHBondContact OG1-ND1 2.71Å; T267-L271 PolarHBondContact O-N 3.38Å; T267-L271 VanDerWaalsContact O-N 3.12Å; T267-A293 HydrophobicContact CG2-CB 3.86Å
268A98.3Very high97.1Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-52.1-37171.400000112.2L235 T239 H270 L271 A272 L284L235-A268 HydrophobicContact CD2-CB 3.92Å; L235-A268 HydrophobicContact CG-CB 4Å; T239-A268 WeakPolarHBondContact CG2-O 3.49Å; A268-H270 PolarHBondContact O-N 2.89Å; A268-L271 PolarHBondContact O-N 3.07Å; A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.44Å; A268-L284 VanDerWaalsContact C-CD1 3.47Å; A268-L284 HydrophobicContact CB-CD1 3.94Å; A268-L284 HydrophobicContact CB-CD2 4.1Å; A268-L284 WeakPolarHBondContact O-CD1 3.4Å
269L98.6Very high97.1Very high0 Ų036.4 Ų36.40%020%0.202CC..Hα-helixtrans-64.8-39.9178.6-174.859.4000112.3T267 A272 V273 V281 L284 L285 A289 P301 L317T267-L269 PolarHBondContact O-N 3.37Å; T267-L269 VanDerWaalsContact O-N 3.17Å; T267-L269 PolarHBondContact OG1-N 2.56Å; L269-A272 PolarHBondContact O-N 2.81Å; L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 3.47Å; L269-V281 HydrophobicContact CD1-CG1 4.04Å; L269-L284 HydrophobicContact CB-CD1 4.46Å; L269-L284 HydrophobicContact CD1-CB 4.12Å; L269-L284 HydrophobicContact CD1-CD1 4.49Å; L269-L285 HydrophobicContact CD1-CD2 4.23Å; L269-L285 HydrophobicContact CD1-CG 4.1Å; L269-L285 HydrophobicContact CD2-CD2 3.82Å; L269-A289 HydrophobicContact CB-CB 4.34Å; L269-A289 HydrophobicContact CD2-CB 4.23Å; L269-P301 HydrophobicContact CB-CG 4.39Å; L269-P301 HydrophobicContact CD2-CB 4.33Å; L269-P301 HydrophobicContact CD2-CG 3.81Å; L269-P301 HydrophobicContact CG-CB 4.12Å; L269-P301 HydrophobicContact CG-CG 3.84Å; L269-L317 HydrophobicContact CD1-CD2 4.44Å; L269-L317 HydrophobicContact CD2-CD2 4.4Å
270H98.6Very high97.1Very high0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-62.4-48.5173.8-66.688.2000111.1K266 T267 A268 A272 V273 E274 A293 C299 P301 L304K266-H270 HydrophobicContact CB-CB 3.83Å; K266-H270 HydrophobicContact CG-CB 3.87Å; T267-H270 PolarHBondContact N-ND1 3.46Å; T267-H270 WeakPolarHBondContact O-CB 3.21Å; T267-H270 PolarHBondContact O-N 3.24Å; T267-H270 PolarHBondContact OG1-ND1 2.71Å; A268-H270 PolarHBondContact O-N 2.89Å; H270-A272 VanDerWaalsContact C-N 3.3Å; H270-A272 PolarHBondContact O-N 2.94Å; H270-V273 WeakPolarHBondContact O-CB 3.33Å; H270-V273 PolarHBondContact O-N 2.95Å; H270-V273 VanDerWaalsContact O-N 3.12Å; H270-E274 WeakPolarHBondContact O-CG 3.5Å; H270-E274 PolarHBondContact O-N 3.23Å; H270-A293 PolarHBondContact CE1-O 3.31Å; H270-A293 PolarHBondContact NE2-O 3.03Å; H270-C299 PolarHBondContact NE2-O 3.02Å; H270-P301 VanDerWaalsContact NE2-CD 3.3Å; H270-P301 WeakPolarHBondContact NE2-CD 3.4Å; H270-L304 HydrophobicContact CB-CD1 3.89Å
271L98.3Very high97.1Very high7 Ų732 Ų324%0.03718%0.18CC..Hα-helixtrans-60.9-40179.1-61.1178.1000111.3H236 T239 L240 K266 T267 A268 V273 E274 T275H236-L271 HydrophobicContact CB-CD1 3.6Å; T239-L271 HydrophobicContact CG2-CB 3.94Å; L240-L271 HydrophobicContact CD2-CB 4.44Å; L240-L271 HydrophobicContact CD2-CD2 4.25Å; L240-L271 HydrophobicContact CG-CD1 4.25Å; K266-L271 HydrophobicContact CB-CD2 4.1Å; K266-L271 HydrophobicContact CB-CG 4.33Å; K266-L271 HydrophobicContact CD-CD2 3.79Å; T267-L271 PolarHBondContact O-N 3.38Å; T267-L271 VanDerWaalsContact O-N 3.12Å; A268-L271 PolarHBondContact O-N 3.07Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 3.1Å; L271-E274 WeakPolarHBondContact O-CA 3.46Å; L271-E274 WeakPolarHBondContact O-CB 3.29Å; L271-E274 PolarHBondContact O-N 3.43Å; L271-T275 WeakPolarHBondContact O-CG2 3.37Å; L271-T275 PolarHBondContact O-N 3.17Å
272A98.1Very high97.1Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-59.4-40.4175.200000112.2T239 A268 L269 H270 E274 T275 Q276 L280 V281 L284T239-A272 HydrophobicContact CG2-CB 4.02Å; A268-A272 WeakPolarHBondContact O-CB 3.21Å; A268-A272 PolarHBondContact O-N 3.44Å; L269-A272 PolarHBondContact O-N 2.81Å; H270-A272 VanDerWaalsContact C-N 3.3Å; H270-A272 PolarHBondContact O-N 2.94Å; A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 PolarHBondContact O-N 3.35Å; A272-T275 PolarHBondContact O-N 3.16Å; A272-T275 PolarHBondContact O-OG1 3.05Å; A272-Q276 PolarHBondContact O-N 3.44Å; A272-L280 HydrophobicContact CB-CB 4.06Å; A272-V281 HydrophobicContact CB-CG2 3.91Å; A272-L284 HydrophobicContact CB-CD1 3.7Å
273V98.1Very high97.3Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-60.9-42.1171.5175.90000110.8L269 H270 L271 T275 Q276 V281 P301 L304 A305 L310 I313 L317L269-V273 WeakPolarHBondContact O-CG2 3.47Å; L269-V273 PolarHBondContact O-N 3.47Å; H270-V273 WeakPolarHBondContact O-CB 3.33Å; H270-V273 PolarHBondContact O-N 2.95Å; H270-V273 VanDerWaalsContact O-N 3.12Å; L271-V273 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 3.1Å; V273-T275 VanDerWaalsContact C-N 3.31Å; V273-T275 PolarHBondContact O-N 3.26Å; V273-Q276 PolarHBondContact O-N 3.39Å; V273-V281 HydrophobicContact CG2-CG2 4.05Å; V273-P301 HydrophobicContact CG2-CB 4.05Å; V273-L304 HydrophobicContact CG1-CB 4.03Å; V273-A305 HydrophobicContact CG1-CB 3.86Å; V273-L310 HydrophobicContact CG1-CD1 4.04Å; V273-I313 HydrophobicContact CB-CG2 4.47Å; V273-I313 HydrophobicContact CG1-CG2 4.19Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; V273-L317 HydrophobicContact CG2-CD1 4.15Å
274E96Very high97.4Very high43 Ų4328.9 Ų28.920%0.20115%0.145CC..Hα-helixtrans-65.3-33.7179.5-61.4-162.8123.200113.7K266 H270 L271 A272 Q276 L304 R308K266-E274 WeakPolarHBondContact CE-OE1 3.49Å; K266-E274 IonicContact NZ-OE1 2.68Å; K266-E274 PolarHBondContact NZ-OE1 3.27Å; K266-E274 IonicContact NZ-OE2 3.97Å; K266-E274 PolarHBondContact NZ-OE2 3.07Å; H270-E274 WeakPolarHBondContact O-CG 3.5Å; H270-E274 PolarHBondContact O-N 3.23Å; L271-E274 WeakPolarHBondContact O-CA 3.46Å; L271-E274 WeakPolarHBondContact O-CB 3.29Å; L271-E274 PolarHBondContact O-N 3.43Å; A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 PolarHBondContact O-N 3.35Å; E274-Q276 PolarHBondContact O-N 3.47Å; E274-L304 HydrophobicContact CG-CD1 4.32Å; E274-R308 VanDerWaalsContact CA-NH1 3.25Å; E274-R308 VanDerWaalsContact CB-NH1 3.35Å; E274-R308 PolarHBondContact O-NH1 3.12Å; E274-R308 IonicContact OE1-CZ 3.89Å; E274-R308 IonicContact OE1-NH1 3.4Å; E274-R308 IonicContact OE1-NH2 2.7Å; E274-R308 PolarHBondContact OE1-NH2 3.44Å
275T95.8Very high97.5Very high22 Ų2228.9 Ų28.914%0.13514%0.142CC..THydrogen-bonded Turntrans-70.7-9.9174.870.10000113.8K242 L271 A272 V273 E277K242-T275 HydrophobicContact CG-CG2 4.38Å; K242-T275 PolarHBondContact NZ-O 3.23Å; L271-T275 WeakPolarHBondContact O-CG2 3.37Å; L271-T275 PolarHBondContact O-N 3.17Å; A272-T275 PolarHBondContact O-N 3.16Å; A272-T275 PolarHBondContact O-OG1 3.05Å; V273-T275 VanDerWaalsContact C-N 3.31Å; V273-T275 PolarHBondContact O-N 3.26Å; T275-E277 PolarHBondContact O-N 3.18Å
276Q95.1Very high97.5Very high122 Ų12236.5 Ų36.557%0.5718%0.178SC*.THydrogen-bonded Turntrans60.716-175.9-51.9-17712.200114.5A272 V273 E274 R278 L310A272-Q276 PolarHBondContact O-N 3.44Å; V273-Q276 PolarHBondContact O-N 3.39Å; E274-Q276 PolarHBondContact O-N 3.47Å; Q276-R278 PolarHBondContact O-N 3.12Å; Q276-L310 HydrophobicContact CB-CD2 4.41Å; Q276-L310 HydrophobicContact CG-CD1 4.05Å; Q276-L310 HydrophobicContact CG-CD2 3.88Å
277E92.8Very high97.4Very high79 Ų7937.2 Ų37.237%0.36919%0.19SC..  trans-89.493.2179.7-67-59.6152.400110.9K242 T275 G279 L280 V281K242-E277 HydrophobicContact CD-CG 3.62Å; K242-E277 VanDerWaalsContact CE-CG 3.48Å; K242-E277 HydrophobicContact CG-CG 3.98Å; K242-E277 IonicContact NZ-OE1 2.72Å; K242-E277 PolarHBondContact NZ-OE1 3.17Å; T275-E277 PolarHBondContact O-N 3.18Å; E277-G279 PolarHBondContact O-N 3.43Å; E277-G279 VanDerWaalsContact O-N 3.09Å; E277-L280 HydrophobicContact CB-CB 4.09Å; E277-L280 HydrophobicContact CB-CD1 3.74Å; E277-L280 HydrophobicContact CB-CG 3.83Å; E277-L280 HydrophobicContact CG-CD1 4.09Å; E277-L280 PolarHBondContact O-N 3.38Å; E277-V281 PolarHBondContact O-N 3.3Å
278R96.2Very high97.4Very high125 Ų12539.6 Ų39.647%0.47222%0.215SC..Hα-helixtrans-54.7-31.5177-175174.257.275.5-0.3112.9Q276 V281 Q282 G312 I313Q276-R278 PolarHBondContact O-N 3.12Å; R278-V281 PolarHBondContact O-N 2.87Å; R278-Q282 WeakPolarHBondContact O-CG 3.36Å; R278-Q282 PolarHBondContact O-N 3.37Å; R278-G312 WeakPolarHBondContact CD-O 3.41Å; R278-I313 HydrophobicContact CB-CG1 3.96Å; R278-I313 HydrophobicContact CG-CG1 4.31Å
279G97.4Very high97.4Very high39 Ų3940 Ų4040%0.40222%0.219SC..Hα-helixtrans-62.3-43.4175.700000113E277 Q282 F283E277-G279 PolarHBondContact O-N 3.43Å; E277-G279 VanDerWaalsContact O-N 3.09Å; G279-Q282 PolarHBondContact O-N 2.95Å; G279-F283 WeakPolarHBondContact O-CB 3.33Å; G279-F283 PolarHBondContact O-N 3.35Å
280L97.6Very high97.4Very high10 Ų1044.9 Ų44.95%0.05224%0.241CC..Hα-helixtrans-68.6-38.1177.8-65.4178.4000112.1K242 Q244 M247 A272 E277 Q282 F283 L284K242-L280 HydrophobicContact CB-CD1 3.88Å; K242-L280 HydrophobicContact CG-CD1 4.03Å; Q244-L280 HydrophobicContact CB-CD2 3.97Å; M247-L280 HydrophobicContact SD-CD2 4Å; A272-L280 HydrophobicContact CB-CB 4.06Å; E277-L280 HydrophobicContact CB-CB 4.09Å; E277-L280 HydrophobicContact CB-CD1 3.74Å; E277-L280 HydrophobicContact CB-CG 3.83Å; E277-L280 HydrophobicContact CG-CD1 4.09Å; E277-L280 PolarHBondContact O-N 3.38Å; L280-Q282 VanDerWaalsContact C-N 3.33Å; L280-Q282 PolarHBondContact O-N 3.2Å; L280-F283 WeakPolarHBondContact O-CB 3.3Å; L280-F283 PolarHBondContact O-N 3.3Å; L280-L284 PolarHBondContact O-N 2.61Å
281V98.4Very high97.3Very high0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-59.2-47.4173.2174.90000110.2L269 A272 V273 E277 R278 F283 L284 L285 I313 T316 L317L269-V281 HydrophobicContact CD1-CG1 4.04Å; A272-V281 HydrophobicContact CB-CG2 3.91Å; V273-V281 HydrophobicContact CG2-CG2 4.05Å; E277-V281 PolarHBondContact O-N 3.3Å; R278-V281 PolarHBondContact O-N 2.87Å; V281-F283 PolarHBondContact O-N 2.93Å; V281-L284 PolarHBondContact O-N 3.44Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 4.5Å; V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 WeakPolarHBondContact O-CD1 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.45Å; V281-L285 PolarHBondContact O-N 2.88Å; V281-L285 VanDerWaalsContact O-N 3.07Å; V281-I313 HydrophobicContact CG1-CG2 4.34Å; V281-I313 HydrophobicContact CG2-CG2 4.1Å; V281-T316 HydrophobicContact CG1-CG2 4.29Å; V281-L317 HydrophobicContact CG1-CD2 4.06Å; V281-L317 HydrophobicContact CG1-CG 4.34Å
282Q98.4Very high97.3Very high67 Ų6746.9 Ų46.931%0.31325%0.253SS..Hα-helixtrans-61.8-43176.9-72179.7-1.700112.3R278 G279 L280 L285 Q286 T316R278-Q282 WeakPolarHBondContact O-CG 3.36Å; R278-Q282 PolarHBondContact O-N 3.37Å; G279-Q282 PolarHBondContact O-N 2.95Å; L280-Q282 VanDerWaalsContact C-N 3.33Å; L280-Q282 PolarHBondContact O-N 3.2Å; Q282-L285 PolarHBondContact O-N 3.09Å; Q282-Q286 WeakPolarHBondContact O-CB 3.45Å; Q282-Q286 WeakPolarHBondContact O-CG 3.3Å; Q282-Q286 PolarHBondContact O-N 2.83Å; Q282-T316 HydrophobicContact CG-CG2 3.51Å
283F98.4Very high97.3Very high26 Ų2647.4 Ų47.411%0.11426%0.257CS..Hα-helixtrans-58.3-51.2176.9168-101000112Q244 M247 E248 L251 G279 L280 V281 L285 Q286 A287Q244-F283 HydrophobicContact CG-CD1 4.18Å; Q244-F283 HydrophobicContact CG-CD2 3.88Å; Q244-F283 HydrophobicContact CG-CE1 4.38Å; Q244-F283 HydrophobicContact CG-CE2 4.09Å; Q244-F283 HydrophobicContact CG-CG 3.93Å; Q244-F283 HydrophobicContact CG-CZ 4.34Å; M247-F283 HydrophobicContact CB-CE1 3.86Å; M247-F283 HydrophobicContact CB-CZ 4.43Å; M247-F283 HydrophobicContact CE-CD1 4.01Å; M247-F283 HydrophobicContact CE-CE1 3.99Å; E248-F283 HydrophobicContact CB-CZ 4.35Å; E248-F283 HydrophobicContact CG-CD2 4.48Å; E248-F283 HydrophobicContact CG-CE2 3.35Å; E248-F283 HydrophobicContact CG-CZ 3.39Å; L251-F283 HydrophobicContact CD1-CE1 3.93Å; L251-F283 HydrophobicContact CD1-CZ 3.92Å; G279-F283 WeakPolarHBondContact O-CB 3.33Å; G279-F283 PolarHBondContact O-N 3.35Å; L280-F283 WeakPolarHBondContact O-CB 3.3Å; L280-F283 PolarHBondContact O-N 3.3Å; V281-F283 PolarHBondContact O-N 2.93Å; F283-L285 PolarHBondContact O-N 3.44Å; F283-Q286 PolarHBondContact O-N 3.16Å; F283-A287 WeakPolarHBondContact O-CB 3.27Å; F283-A287 PolarHBondContact O-N 2.9Å
284L98.3Very high97.3Very high0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-63.7-40.2-179.5-74.5171.2000112.4M247 I257 A268 L269 A272 L280 V281 A287 G288 A289M247-L284 HydrophobicContact CE-CD1 3.92Å; M247-L284 HydrophobicContact CE-CD2 3.55Å; M247-L284 HydrophobicContact CE-CG 3.75Å; I257-L284 HydrophobicContact CD1-CD2 4.04Å; I257-L284 HydrophobicContact CG1-CD2 4.07Å; A268-L284 VanDerWaalsContact C-CD1 3.47Å; A268-L284 HydrophobicContact CB-CD1 3.94Å; A268-L284 HydrophobicContact CB-CD2 4.1Å; A268-L284 WeakPolarHBondContact O-CD1 3.4Å; L269-L284 HydrophobicContact CB-CD1 4.46Å; L269-L284 HydrophobicContact CD1-CB 4.12Å; L269-L284 HydrophobicContact CD1-CD1 4.49Å; A272-L284 HydrophobicContact CB-CD1 3.7Å; L280-L284 PolarHBondContact O-N 2.61Å; V281-L284 PolarHBondContact O-N 3.44Å; L284-A287 CarbonylContact O-C 3.57Å; L284-A287 PolarHBondContact O-N 3.03Å; L284-G288 PolarHBondContact O-N 3.22Å; L284-A289 HydrophobicContact CB-CB 4.13Å; L284-A289 WeakPolarHBondContact O-CB 3.5Å; L284-A289 PolarHBondContact O-N 3.02Å
285L98.3Very high97.4Very high30 Ų3051.1 Ų51.116%0.15727%0.27CS..Hα-helixtrans-64-41.3175.3-68.2165.8000111.8L269 V281 Q282 F283 A287 G288 V291 T316 L317 A320L269-L285 HydrophobicContact CD1-CD2 4.23Å; L269-L285 HydrophobicContact CD1-CG 4.1Å; L269-L285 HydrophobicContact CD2-CD2 3.82Å; V281-L285 HydrophobicContact CG1-CD1 3.78Å; V281-L285 HydrophobicContact CG1-CG 4.5Å; V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 WeakPolarHBondContact O-CD1 3.47Å; V281-L285 WeakPolarHBondContact O-CG 3.45Å; V281-L285 PolarHBondContact O-N 2.88Å; V281-L285 VanDerWaalsContact O-N 3.07Å; Q282-L285 PolarHBondContact O-N 3.09Å; F283-L285 PolarHBondContact O-N 3.44Å; L285-A287 VanDerWaalsContact C-N 3.29Å; L285-A287 PolarHBondContact O-N 3.16Å; L285-G288 PolarHBondContact O-N 3.46Å; L285-G288 VanDerWaalsContact O-N 3.13Å; L285-V291 HydrophobicContact CD2-CB 4Å; L285-V291 HydrophobicContact CD2-CG2 3.91Å; L285-T316 HydrophobicContact CD1-CG2 4.11Å; L285-L317 HydrophobicContact CD1-CD2 4.21Å; L285-L317 HydrophobicContact CD2-CD2 4.43Å; L285-A320 HydrophobicContact CD1-CB 3.73Å; L285-A320 HydrophobicContact CD2-CB 3.96Å; L285-A320 HydrophobicContact CG-CB 4.28Å
286Q97.9Very high97.5Very high160 Ų16055.6 Ų55.675%0.74829%0.293SS*.Hα-helixtrans-66.7-31.9175.2-73.1170.711.100112.3Q282 F283 G288Q282-Q286 WeakPolarHBondContact O-CB 3.45Å; Q282-Q286 WeakPolarHBondContact O-CG 3.3Å; Q282-Q286 PolarHBondContact O-N 2.83Å; F283-Q286 PolarHBondContact O-N 3.16Å; Q286-G288 PolarHBondContact O-N 3.26Å
287A97.1Very high97.5Very high50 Ų5052.7 Ų52.741%0.41328%0.281SS..THydrogen-bonded Turntrans-75.9-2.8174.100000113.4L251 I257 F283 L284 L285L251-A287 HydrophobicContact CD1-CB 4.06Å; I257-A287 HydrophobicContact CD1-CB 3.59Å; F283-A287 WeakPolarHBondContact O-CB 3.27Å; F283-A287 PolarHBondContact O-N 2.9Å; L284-A287 CarbonylContact O-C 3.57Å; L284-A287 PolarHBondContact O-N 3.03Å; L285-A287 VanDerWaalsContact C-N 3.29Å; L285-A287 PolarHBondContact O-N 3.16Å
288G97.2Very high97.8Very high52 Ų5249.2 Ų49.254%0.53627%0.266SS..THydrogen-bonded Turntrans94.120.2173.800000115.2L284 L285 Q286L284-G288 PolarHBondContact O-N 3.22Å; L285-G288 PolarHBondContact O-N 3.46Å; L285-G288 VanDerWaalsContact O-N 3.13Å; Q286-G288 PolarHBondContact O-N 3.26Å
289A98.1Very high97.8Very high9 Ų943.7 Ų43.77%0.07425%0.247CC..  trans-59140.9174.800000111.4I257 L269 L284 V291I257-A289 HydrophobicContact CD1-CB 3.76Å; I257-A289 HydrophobicContact CG1-CB 3.86Å; L269-A289 HydrophobicContact CB-CB 4.34Å; L269-A289 HydrophobicContact CD2-CB 4.23Å; L284-A289 HydrophobicContact CB-CB 4.13Å; L284-A289 WeakPolarHBondContact O-CB 3.5Å; L284-A289 PolarHBondContact O-N 3.02Å; A289-V291 PolarHBondContact O-N 3.21Å
290Q98.4Very high97.9Very high102 Ų10241.8 Ų41.848%0.47723%0.227SC..  trans-66.7108.2176.2-178.461.949.200110.1D258 D292 A293D258-Q290 PolarHBondContact OD1-N 3.35Å; D258-Q290 WeakPolarHBondContact OD2-CB 3.48Å; D258-Q290 PolarHBondContact OD2-N 2.98Å; Q290-D292 PolarHBondContact O-N 3.06Å; Q290-A293 HydrophobicContact CB-CB 4.23Å; Q290-A293 HydrophobicContact CG-CB 4.3Å; Q290-A293 WeakPolarHBondContact O-CB 3.28Å; Q290-A293 PolarHBondContact O-N 3.02Å; Q290-A293 VanDerWaalsContact O-N 3.09Å
291V98.3Very high97.9Very high16 Ų1641.3 Ų41.310%0.09723%0.225CC..THydrogen-bonded Turntrans-58.6-35.3-175.3670000113.1L285 A289 P301 L317 A320 A322L285-V291 HydrophobicContact CD2-CB 4Å; L285-V291 HydrophobicContact CD2-CG2 3.91Å; A289-V291 PolarHBondContact O-N 3.21Å; V291-P301 WeakPolarHBondContact O-CD 3.49Å; V291-P301 WeakPolarHBondContact O-CG 3.27Å; V291-L317 HydrophobicContact CG2-CD2 4.23Å; V291-A320 HydrophobicContact CG2-CB 4.38Å; V291-A322 HydrophobicContact CG2-CB 3.64Å
292D98.3Very high97.9Very high33 Ų3341.7 Ų41.718%0.17623%0.227CC..THydrogen-bonded Turntrans-10426.2-179.7-63.9-40.9000113Q290 R294 A322 D323 L326Q290-D292 PolarHBondContact O-N 3.06Å; D292-R294 WeakPolarHBondContact O-CG 3.43Å; D292-R294 PolarHBondContact O-N 3.38Å; D292-A322 WeakPolarHBondContact OD1-CA 3.48Å; D292-D323 PolarHBondContact OD1-N 2.72Å; D292-D323 PolarHBondContact OD2-N 3.5Å; D292-L326 HydrophobicContact CB-CD1 3.7Å
293A98.1Very high97.9Very high11 Ų1138.5 Ų38.59%0.09121%0.212CC..  trans-53.2142.6172.200000109.9T267 H270 Q290 T300 P301T267-A293 HydrophobicContact CG2-CB 3.86Å; H270-A293 PolarHBondContact CE1-O 3.31Å; H270-A293 PolarHBondContact NE2-O 3.03Å; Q290-A293 HydrophobicContact CB-CB 4.23Å; Q290-A293 HydrophobicContact CG-CB 4.3Å; Q290-A293 WeakPolarHBondContact O-CB 3.28Å; Q290-A293 PolarHBondContact O-N 3.02Å; Q290-A293 VanDerWaalsContact O-N 3.09Å; A293-T300 WeakPolarHBondContact O-CA 3.3Å; A293-P301 WeakPolarHBondContact O-CD 3.49Å
294R97.7Very high97.8Very high103 Ų10338.6 Ų38.639%0.38921%0.213SC..  trans-114.2128-173.5-54.3-169.171.1158.6-0.2110.9Q260 D292 G298 C299 T300 R327Q260-R294 PolarHBondContact NE2-O 3.11Å; D292-R294 WeakPolarHBondContact O-CG 3.43Å; D292-R294 PolarHBondContact O-N 3.38Å; R294-G298 PolarHBondContact NE-O 2.92Å; R294-G298 VanDerWaalsContact NE-O 3.11Å; R294-G298 PolarHBondContact NH2-O 3.24Å; R294-C299 WeakPolarHBondContact CA-O 3.3Å; R294-T300 HydrophobicContact CG-CG2 4.32Å; R294-R327 PolarHBondContact NH2-O 3.28Å
295M97.9Very high97.7Very high17 Ų1738.6 Ų38.68%0.08421%0.213CC..  trans-63.6172.6165.8-71.6178.555.300111.7S264 K266 N297 G298 C299 L304S264-M295 WeakPolarHBondContact O-CB 3.24Å; K266-M295 HydrophobicContact CD-CE 4.3Å; K266-M295 HydrophobicContact CD-SD 4.46Å; K266-M295 HydrophobicContact CG-CE 3.76Å; K266-M295 HydrophobicContact CG-CG 3.87Å; K266-M295 HydrophobicContact CG-SD 3.66Å; M295-N297 VanDerWaalsContact CB-OD1 3.28Å; M295-N297 WeakPolarHBondContact CB-OD1 3.33Å; M295-N297 PolarHBondContact O-N 3.38Å; M295-G298 WeakPolarHBondContact O-CA 3.28Å; M295-G298 PolarHBondContact O-N 3.47Å; M295-C299 PolarHBondContact N-O 3.3Å; M295-C299 HydrophobicContact SD-CB 4.27Å; M295-L304 HydrophobicContact SD-CD1 3.92Å; M295-L304 HydrophobicContact SD-CD2 4.08Å; M295-L304 HydrophobicContact SD-CG 4.24Å
296L97.5Very high97.6Very high117 Ų11737.6 Ų37.661%0.61321%0.21SC*.THydrogen-bonded Turntrans-60.8-31.9176.8-63.7179.5000113.2S264 G298S264-L296 WeakPolarHBondContact O-CG 3.48Å; S264-L296 PolarHBondContact O-N 3.47Å; L296-G298 PolarHBondContact O-N 2.99Å
297N96.3Very high97.4Very high60 Ų6031.5 Ų31.532%0.32119%0.19SC..THydrogen-bonded Turntrans-84.811.8172.870.2-13.6000112.9M295 C299 V329M295-N297 VanDerWaalsContact CB-OD1 3.28Å; M295-N297 WeakPolarHBondContact CB-OD1 3.33Å; M295-N297 PolarHBondContact O-N 3.38Å; N297-C299 PolarHBondContact ND2-SG 3.03Å; N297-C299 PolarHBondContact O-N 2.88Å; N297-C299 VanDerWaalsContact O-N 3.16Å; N297-C299 WeakPolarHBondContact OD1-CB 3.4Å; N297-C299 PolarHBondContact OD1-N 3.21Å; N297-V329 VanDerWaalsContact C-CG1 3.5Å; N297-V329 HydrophobicContact CB-CG2 4.1Å; N297-V329 WeakPolarHBondContact O-CG1 3.31Å; N297-V329 VanDerWaalsContact O-CG2 3.24Å; N297-V329 WeakPolarHBondContact O-CG2 3.43Å; N297-V329 PolarHBondContact O-N 3.45Å
298G97.3Very high97.2Very high6 Ų634.5 Ų34.56%0.06219%0.19CC..SBendtrans74.2-1.3178.100000115.1R294 M295 L296R294-G298 PolarHBondContact NE-O 2.92Å; R294-G298 VanDerWaalsContact NE-O 3.11Å; R294-G298 PolarHBondContact NH2-O 3.24Å; M295-G298 WeakPolarHBondContact O-CA 3.28Å; M295-G298 PolarHBondContact O-N 3.47Å; L296-G298 PolarHBondContact O-N 2.99Å
299C97.9Very high97Very high9 Ų934.5 Ų34.56%0.06119%0.191CC..  trans-65.5141.9174.2-72.80000111H270 R294 M295 N297 H303H270-C299 PolarHBondContact NE2-O 3.02Å; R294-C299 WeakPolarHBondContact CA-O 3.3Å; M295-C299 PolarHBondContact N-O 3.3Å; M295-C299 HydrophobicContact SD-CB 4.27Å; N297-C299 PolarHBondContact ND2-SG 3.03Å; N297-C299 PolarHBondContact O-N 2.88Å; N297-C299 VanDerWaalsContact O-N 3.16Å; N297-C299 WeakPolarHBondContact OD1-CB 3.4Å; N297-C299 PolarHBondContact OD1-N 3.21Å; C299-H303 HydrophobicContact CB-CB 3.92Å
300T98.4Very high96.8Very high0 Ų035.3 Ų35.30%019%0.194CC..  trans-99.4170.8172.5700000110.7A293 R294 L302 H303 L304 L326A293-T300 WeakPolarHBondContact O-CA 3.3Å; R294-T300 HydrophobicContact CG-CG2 4.32Å; T300-L302 PolarHBondContact O-N 3.16Å; T300-L302 VanDerWaalsContact O-N 3.16Å; T300-L302 PolarHBondContact OG1-N 2.84Å; T300-H303 PolarHBondContact N-ND1 3.09Å; T300-H303 WeakPolarHBondContact O-CB 3.47Å; T300-H303 PolarHBondContact O-N 3.12Å; T300-H303 PolarHBondContact OG1-ND1 3.33Å; T300-L304 PolarHBondContact O-N 3.4Å; T300-L326 HydrophobicContact CG2-CB 4.43Å; T300-L326 HydrophobicContact CG2-CD1 3.92Å
301P98.4Very high96.6Very high0 Ų035.5 Ų35.50%020%0.196CC..Hα-helixtrans-56-32173.2-25.935.8000112.7L269 H270 V273 V291 A293 L304 A305 L317L269-P301 HydrophobicContact CB-CG 4.39Å; L269-P301 HydrophobicContact CD2-CB 4.33Å; L269-P301 HydrophobicContact CD2-CG 3.81Å; L269-P301 HydrophobicContact CG-CB 4.12Å; L269-P301 HydrophobicContact CG-CG 3.84Å; H270-P301 VanDerWaalsContact NE2-CD 3.3Å; H270-P301 WeakPolarHBondContact NE2-CD 3.4Å; V273-P301 HydrophobicContact CG2-CB 4.05Å; V291-P301 WeakPolarHBondContact O-CD 3.49Å; V291-P301 WeakPolarHBondContact O-CG 3.27Å; A293-P301 WeakPolarHBondContact O-CD 3.49Å; P301-L304 PolarHBondContact O-N 2.84Å; P301-A305 WeakPolarHBondContact O-CB 3.33Å; P301-A305 PolarHBondContact O-N 3.42Å; P301-L317 HydrophobicContact CB-CD1 4.05Å; P301-L317 HydrophobicContact CB-CD2 4.08Å
302L98.2Very high96.5Very high7 Ų736.7 Ų36.74%0.03721%0.211CC..Hα-helixtrans-69.2-37.3177.1-174.360.1000112.3T300 L304 A305 A306 L317 A322 P334T300-L302 PolarHBondContact O-N 3.16Å; T300-L302 VanDerWaalsContact O-N 3.16Å; T300-L302 PolarHBondContact OG1-N 2.84Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 2.99Å; L302-A305 PolarHBondContact O-N 3.39Å; L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.35Å; L302-A306 PolarHBondContact O-N 3.06Å; L302-L317 HydrophobicContact CB-CD1 4.38Å; L302-L317 HydrophobicContact CD1-CB 4.25Å; L302-L317 HydrophobicContact CD1-CD1 4.41Å; L302-A322 HydrophobicContact CB-CB 4.28Å; L302-A322 HydrophobicContact CD2-CB 3.93Å; L302-P334 HydrophobicContact CB-CB 4.48Å; L302-P334 HydrophobicContact CB-CG 4.21Å; L302-P334 HydrophobicContact CD2-CB 4.25Å; L302-P334 HydrophobicContact CD2-CG 3.98Å; L302-P334 HydrophobicContact CG-CB 3.83Å; L302-P334 HydrophobicContact CG-CG 3.88Å
303H97.6Very high96.4Very high1 Ų135.4 Ų35.41%0.00521%0.205CC..Hα-helixtrans-58.7-46.7172.2-70.180.9000110.9C299 T300 A305 A306 G307 L326 E332 P334 L337C299-H303 HydrophobicContact CB-CB 3.92Å; T300-H303 PolarHBondContact N-ND1 3.09Å; T300-H303 WeakPolarHBondContact O-CB 3.47Å; T300-H303 PolarHBondContact O-N 3.12Å; T300-H303 PolarHBondContact OG1-ND1 3.33Å; H303-A305 PolarHBondContact O-N 3.34Å; H303-A306 PolarHBondContact O-N 2.99Å; H303-G307 PolarHBondContact O-N 3.38Å; H303-L326 PolarHBondContact CE1-O 3.32Å; H303-L326 PolarHBondContact NE2-O 3.49Å; H303-L326 VanDerWaalsContact NE2-O 3.17Å; H303-E332 PolarHBondContact NE2-O 2.73Å; H303-E332 VanDerWaalsContact NE2-O 3.11Å; H303-P334 WeakPolarHBondContact NE2-CD 3.32Å; H303-L337 HydrophobicContact CB-CD1 3.79Å
304L96.6Very high96.4Very high27 Ų2735 Ų3514%0.14120%0.201CC..Hα-helixtrans-63.4-41.2178.1-64.3-174.8000112.4H270 V273 E274 M295 T300 P301 L302 R308H270-L304 HydrophobicContact CB-CD1 3.89Å; V273-L304 HydrophobicContact CG1-CB 4.03Å; E274-L304 HydrophobicContact CG-CD1 4.32Å; M295-L304 HydrophobicContact SD-CD1 3.92Å; M295-L304 HydrophobicContact SD-CD2 4.08Å; M295-L304 HydrophobicContact SD-CG 4.24Å; T300-L304 PolarHBondContact O-N 3.4Å; P301-L304 PolarHBondContact O-N 2.84Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 2.99Å; L304-R308 WeakPolarHBondContact O-CB 3.39Å; L304-R308 WeakPolarHBondContact O-CG 3.46Å; L304-R308 PolarHBondContact O-N 3.46Å
305A96.8Very high96.3Very high0 Ų032.2 Ų32.20%020%0.197CC..Hα-helixtrans-66.5-42.5179.500000111.6V273 P301 L302 H303 R308 G309 L310 I313 S314 L317V273-A305 HydrophobicContact CG1-CB 3.86Å; P301-A305 WeakPolarHBondContact O-CB 3.33Å; P301-A305 PolarHBondContact O-N 3.42Å; L302-A305 PolarHBondContact O-N 3.39Å; H303-A305 PolarHBondContact O-N 3.34Å; A305-R308 PolarHBondContact O-N 2.93Å; A305-G309 PolarHBondContact O-N 3.48Å; A305-L310 HydrophobicContact CB-CB 4.41Å; A305-L310 PolarHBondContact O-N 3.11Å; A305-I313 HydrophobicContact CB-CG2 3.99Å; A305-S314 WeakPolarHBondContact CB-OG 3.41Å; A305-L317 HydrophobicContact CB-CD1 3.97Å
306A95.1Very high96.3Very high10 Ų1032.2 Ų32.28%0.08320%0.198CC..Hα-helixtrans-68-47.7178.600000112.3L302 H303 R308 G309 P334 T338L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.35Å; L302-A306 PolarHBondContact O-N 3.06Å; H303-A306 PolarHBondContact O-N 2.99Å; A306-R308 PolarHBondContact O-N 3.17Å; A306-R308 VanDerWaalsContact O-N 3.1Å; A306-G309 PolarHBondContact O-N 3.05Å; A306-P334 HydrophobicContact CB-CB 4.04Å; A306-P334 WeakPolarHBondContact CB-O 3.44Å; A306-T338 HydrophobicContact CB-CG2 3.9Å
307G93.6Very high96.3Very high32 Ų3226.7 Ų26.733%0.3317%0.169SC..Hα-helixtrans-62-18176.600000114.7H303 L337H303-G307 PolarHBondContact O-N 3.38Å; G307-L337 WeakPolarHBondContact CA-O 3.5Å
308R93.1Very high96.3Very high112 Ų11226.1 Ų26.142%0.42317%0.169SC..THydrogen-bonded Turntrans-104.33.4175.1-66.2-176.9-176.8-165.55.7113.9E274 L304 A305 A306 L310E274-R308 VanDerWaalsContact CA-NH1 3.25Å; E274-R308 VanDerWaalsContact CB-NH1 3.35Å; E274-R308 PolarHBondContact O-NH1 3.12Å; E274-R308 IonicContact OE1-CZ 3.89Å; E274-R308 IonicContact OE1-NH1 3.4Å; E274-R308 IonicContact OE1-NH2 2.7Å; E274-R308 PolarHBondContact OE1-NH2 3.44Å; L304-R308 WeakPolarHBondContact O-CB 3.39Å; L304-R308 WeakPolarHBondContact O-CG 3.46Å; L304-R308 PolarHBondContact O-N 3.46Å; A305-R308 PolarHBondContact O-N 2.93Å; A306-R308 PolarHBondContact O-N 3.17Å; A306-R308 VanDerWaalsContact O-N 3.1Å; R308-L310 VanDerWaalsContact C-N 3.27Å; R308-L310 HydrophobicContact CB-CD1 3.88Å; R308-L310 HydrophobicContact CB-CG 3.76Å; R308-L310 PolarHBondContact O-N 3.25Å
309G93.1Very high96.3Very high53 Ų5334.1 Ų34.155%0.54620%0.202SC..THydrogen-bonded Turntrans64.924.9-178.200000114.5A305 A306 M311A305-G309 PolarHBondContact O-N 3.48Å; A306-G309 PolarHBondContact O-N 3.05Å; G309-M311 VanDerWaalsContact C-N 3.26Å; G309-M311 PolarHBondContact O-N 3.04Å
310L94.9Very high96.3Very high25 Ų2536 Ų3613%0.13122%0.219CC..  trans-82.663.6-174.5-59174.2000111.8V273 Q276 A305 R308 G312 I313 S314V273-L310 HydrophobicContact CG1-CD1 4.04Å; Q276-L310 HydrophobicContact CB-CD2 4.41Å; Q276-L310 HydrophobicContact CG-CD1 4.05Å; Q276-L310 HydrophobicContact CG-CD2 3.88Å; A305-L310 HydrophobicContact CB-CB 4.41Å; A305-L310 PolarHBondContact O-N 3.11Å; R308-L310 VanDerWaalsContact C-N 3.27Å; R308-L310 HydrophobicContact CB-CD1 3.88Å; R308-L310 HydrophobicContact CB-CG 3.76Å; R308-L310 PolarHBondContact O-N 3.25Å; L310-G312 VanDerWaalsContact C-N 3.27Å; L310-G312 PolarHBondContact O-N 3.43Å; L310-G312 VanDerWaalsContact O-N 3.08Å; L310-I313 HydrophobicContact CB-CB 4.09Å; L310-I313 HydrophobicContact CB-CD1 4.35Å; L310-I313 HydrophobicContact CD1-CD1 4.15Å; L310-I313 WeakPolarHBondContact O-CA 3.45Å; L310-I313 PolarHBondContact O-N 2.7Å; L310-S314 PolarHBondContact O-N 2.8Å; L310-S314 PolarHBondContact O-OG 2.8Å
311M93.4Very high96.2Very high106 Ų10638.4 Ų38.452%0.52224%0.244SC..Hα-helixtrans-51-40.3-171.1-62.8-57.2-72.400114.6G309 I313 S315 L344G309-M311 VanDerWaalsContact C-N 3.26Å; G309-M311 PolarHBondContact O-N 3.04Å; M311-I313 VanDerWaalsContact C-N 3.34Å; M311-I313 PolarHBondContact O-N 2.68Å; M311-S315 WeakPolarHBondContact O-CB 3.46Å; M311-S315 PolarHBondContact O-N 2.77Å; M311-L344 HydrophobicContact CE-CD1 3.59Å; M311-L344 HydrophobicContact CE-CG 4.25Å; M311-L344 HydrophobicContact SD-CD1 4.24Å
312G95.4Very high96.1Very high41 Ų4139 Ų3942%0.42325%0.249SC..Hα-helixtrans-66.7-34.117800000113.6R278 L310 T316R278-G312 WeakPolarHBondContact CD-O 3.41Å; L310-G312 VanDerWaalsContact C-N 3.27Å; L310-G312 PolarHBondContact O-N 3.43Å; L310-G312 VanDerWaalsContact O-N 3.08Å; G312-T316 PolarHBondContact O-N 3.36Å; G312-T316 PolarHBondContact O-OG1 2.87Å
313I97.4Very high96Very high7 Ų741.8 Ų41.84%0.03626%0.263CS..Hα-helixtrans-78.4-44.4176.3-68.5174.2000109.8V273 R278 V281 A305 L310 M311 S315 T316 L317V273-I313 HydrophobicContact CB-CG2 4.47Å; V273-I313 HydrophobicContact CG1-CG2 4.19Å; V273-I313 HydrophobicContact CG2-CG2 3.87Å; R278-I313 HydrophobicContact CB-CG1 3.96Å; R278-I313 HydrophobicContact CG-CG1 4.31Å; V281-I313 HydrophobicContact CG1-CG2 4.34Å; V281-I313 HydrophobicContact CG2-CG2 4.1Å; A305-I313 HydrophobicContact CB-CG2 3.99Å; L310-I313 HydrophobicContact CB-CB 4.09Å; L310-I313 HydrophobicContact CB-CD1 4.35Å; L310-I313 HydrophobicContact CD1-CD1 4.15Å; L310-I313 WeakPolarHBondContact O-CA 3.45Å; L310-I313 PolarHBondContact O-N 2.7Å; M311-I313 VanDerWaalsContact C-N 3.34Å; M311-I313 PolarHBondContact O-N 2.68Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.44Å; I313-T316 WeakPolarHBondContact O-CA 3.38Å; I313-T316 WeakPolarHBondContact O-CB 3.36Å; I313-T316 PolarHBondContact O-N 2.94Å; I313-L317 HydrophobicContact CG2-CD1 3.97Å; I313-L317 HydrophobicContact CG2-CG 4.39Å; I313-L317 WeakPolarHBondContact O-CG 3.46Å; I313-L317 PolarHBondContact O-N 3.38Å
314S97Very high95.9Very high3 Ų344.7 Ų44.72%0.02128%0.284CS..Hα-helixtrans-54.9-47173.6-53.90000111.2A305 L310 T316 L317 C318A305-S314 WeakPolarHBondContact CB-OG 3.41Å; L310-S314 PolarHBondContact O-N 2.8Å; L310-S314 PolarHBondContact O-OG 2.8Å; S314-T316 VanDerWaalsContact C-N 3.28Å; S314-T316 PolarHBondContact O-N 3.16Å; S314-L317 PolarHBondContact O-N 3.04Å; S314-C318 PolarHBondContact O-N 2.79Å; S314-C318 PolarHBondContact O-SG 2.91Å
315S96.1Very high95.9Very high44 Ų4449.6 Ų49.631%0.30831%0.31SS..Hα-helixtrans-60.1-37.3174.9-176.50000112.7M311 I313 K319M311-S315 WeakPolarHBondContact O-CB 3.46Å; M311-S315 PolarHBondContact O-N 2.77Å; I313-S315 VanDerWaalsContact C-N 3.31Å; I313-S315 PolarHBondContact O-N 3.44Å; S315-K319 WeakPolarHBondContact O-CB 2.96Å; S315-K319 WeakPolarHBondContact O-CD 3.3Å; S315-K319 WeakPolarHBondContact O-CG 3.49Å; S315-K319 PolarHBondContact O-N 3.32Å
316T97.9Very high95.8Very high17 Ų1751.6 Ų51.610%0.10432%0.32CS..Hα-helixtrans-67.4-44.4177.6-60.30000111.2V281 Q282 L285 G312 I313 S314 K319 A320V281-T316 HydrophobicContact CG1-CG2 4.29Å; Q282-T316 HydrophobicContact CG-CG2 3.51Å; L285-T316 HydrophobicContact CD1-CG2 4.11Å; G312-T316 PolarHBondContact O-N 3.36Å; G312-T316 PolarHBondContact O-OG1 2.87Å; I313-T316 WeakPolarHBondContact O-CA 3.38Å; I313-T316 WeakPolarHBondContact O-CB 3.36Å; I313-T316 PolarHBondContact O-N 2.94Å; S314-T316 VanDerWaalsContact C-N 3.28Å; S314-T316 PolarHBondContact O-N 3.16Å; T316-K319 PolarHBondContact O-N 2.95Å; T316-A320 PolarHBondContact O-N 3.24Å
317L97.7Very high95.9Very high0 Ų057 Ų570%034%0.338CS..Hα-helixtrans-63.4-46.6177-70.2167.4000111.4L269 V273 V281 L285 V291 P301 L302 A305 I313 S314 K319 A320 G321 A322L269-L317 HydrophobicContact CD1-CD2 4.44Å; L269-L317 HydrophobicContact CD2-CD2 4.4Å; V273-L317 HydrophobicContact CG2-CD1 4.15Å; V281-L317 HydrophobicContact CG1-CD2 4.06Å; V281-L317 HydrophobicContact CG1-CG 4.34Å; L285-L317 HydrophobicContact CD1-CD2 4.21Å; L285-L317 HydrophobicContact CD2-CD2 4.43Å; V291-L317 HydrophobicContact CG2-CD2 4.23Å; P301-L317 HydrophobicContact CB-CD1 4.05Å; P301-L317 HydrophobicContact CB-CD2 4.08Å; L302-L317 HydrophobicContact CB-CD1 4.38Å; L302-L317 HydrophobicContact CD1-CB 4.25Å; L302-L317 HydrophobicContact CD1-CD1 4.41Å; A305-L317 HydrophobicContact CB-CD1 3.97Å; I313-L317 HydrophobicContact CG2-CD1 3.97Å; I313-L317 HydrophobicContact CG2-CG 4.39Å; I313-L317 WeakPolarHBondContact O-CG 3.46Å; I313-L317 PolarHBondContact O-N 3.38Å; S314-L317 PolarHBondContact O-N 3.04Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 2.97Å; L317-A320 CarbonylContact O-C 3.45Å; L317-A320 WeakPolarHBondContact O-CA 3.43Å; L317-A320 WeakPolarHBondContact O-CB 3.3Å; L317-A320 PolarHBondContact O-N 3.36Å; L317-G321 PolarHBondContact O-N 2.9Å; L317-A322 HydrophobicContact CB-CB 3.98Å; L317-A322 VanDerWaalsContact O-CB 3.27Å; L317-A322 WeakPolarHBondContact O-CB 3.21Å; L317-A322 PolarHBondContact O-N 3.48Å
318C96.7Very high96Very high48 Ų4856 Ų5632%0.32433%0.325SS..Hα-helixtrans-61-40.4176.4-62.70000112.1S314 A320 G321S314-C318 PolarHBondContact O-N 2.79Å; S314-C318 PolarHBondContact O-SG 2.91Å; C318-A320 PolarHBondContact O-N 3.23Å; C318-G321 PolarHBondContact O-N 2.88Å
319K97.1Very high96.2Very high174 Ų17455.6 Ų55.676%0.75734%0.335SS*.Hα-helixtrans-64.4-28.3174.6-76.4170.7-177.11710112.9S315 T316 L317S315-K319 WeakPolarHBondContact O-CB 2.96Å; S315-K319 WeakPolarHBondContact O-CD 3.3Å; S315-K319 WeakPolarHBondContact O-CG 3.49Å; S315-K319 PolarHBondContact O-N 3.32Å; T316-K319 PolarHBondContact O-N 2.95Å; L317-K319 VanDerWaalsContact C-N 3.32Å; L317-K319 PolarHBondContact O-N 2.97Å
320A96.8Very high96.3Very high49 Ų4959.6 Ų59.641%0.40534%0.34SS..THydrogen-bonded Turntrans-84.64.8174.100000113.3L285 V291 T316 L317 C318L285-A320 HydrophobicContact CD1-CB 3.73Å; L285-A320 HydrophobicContact CD2-CB 3.96Å; L285-A320 HydrophobicContact CG-CB 4.28Å; V291-A320 HydrophobicContact CG2-CB 4.38Å; T316-A320 PolarHBondContact O-N 3.24Å; L317-A320 CarbonylContact O-C 3.45Å; L317-A320 WeakPolarHBondContact O-CA 3.43Å; L317-A320 WeakPolarHBondContact O-CB 3.3Å; L317-A320 PolarHBondContact O-N 3.36Å; C318-A320 PolarHBondContact O-N 3.23Å
321G96.3Very high96.3Very high51 Ų5163.1 Ų63.153%0.52636%0.359SS..THydrogen-bonded Turntrans92.617.5174.400000115.2L317 C318 D323L317-G321 PolarHBondContact O-N 2.9Å; C318-G321 PolarHBondContact O-N 2.88Å; G321-D323 PolarHBondContact O-N 2.87Å
322A97.1Very high96.4Very high12 Ų1261 Ų6110%0.09935%0.347CS..  trans-56.9130.8174.100000111.4V291 D292 L302 L317 S324V291-A322 HydrophobicContact CG2-CB 3.64Å; D292-A322 WeakPolarHBondContact OD1-CA 3.48Å; L302-A322 HydrophobicContact CB-CB 4.28Å; L302-A322 HydrophobicContact CD2-CB 3.93Å; L317-A322 HydrophobicContact CB-CB 3.98Å; L317-A322 VanDerWaalsContact O-CB 3.27Å; L317-A322 WeakPolarHBondContact O-CB 3.21Å; L317-A322 PolarHBondContact O-N 3.48Å; A322-S324 PolarHBondContact O-N 3.29Å
323D96.4Very high96.4Very high65 Ų6559.8 Ų59.835%0.34833%0.332SS..  trans-81111.4177.4-176.3-1.4000110.6D292 G321 L325 L326D292-D323 PolarHBondContact OD1-N 2.72Å; D292-D323 PolarHBondContact OD2-N 3.5Å; G321-D323 PolarHBondContact O-N 2.87Å; D323-L325 PolarHBondContact O-N 3.25Å; D323-L325 WeakPolarHBondContact OD1-CB 3.43Å; D323-L325 PolarHBondContact OD1-N 2.93Å; D323-L326 HydrophobicContact CB-CD1 3.92Å; D323-L326 HydrophobicContact CB-CG 3.8Å
324S94.8Very high96.3Very high63 Ų6359.6 Ų59.644%0.44133%0.331SS..THydrogen-bonded Turntrans-76-3.7179.163.90000114.1A322 P334A322-S324 PolarHBondContact O-N 3.29Å; S324-P334 WeakPolarHBondContact O-CD 3.4Å
325L96.2Very high96Very high130 Ų13064.3 Ų64.368%0.68135%0.353SS*.THydrogen-bonded Turntrans-102.5-8.1-179.1-56179.7000113D323 R327D323-L325 PolarHBondContact O-N 3.25Å; D323-L325 WeakPolarHBondContact OD1-CB 3.43Å; D323-L325 PolarHBondContact OD1-N 2.93Å; L325-R327 PolarHBondContact O-N 3.23Å
326L96.1Very high95.8Very high42 Ų4267 Ų6722%0.2236%0.364CS..  trans-61.5134.7174.8-69.6176.4000109.8D292 T300 H303 D323 P334D292-L326 HydrophobicContact CB-CD1 3.7Å; T300-L326 HydrophobicContact CG2-CB 4.43Å; T300-L326 HydrophobicContact CG2-CD1 3.92Å; H303-L326 PolarHBondContact CE1-O 3.32Å; H303-L326 PolarHBondContact NE2-O 3.49Å; H303-L326 VanDerWaalsContact NE2-O 3.17Å; D323-L326 HydrophobicContact CB-CD1 3.92Å; D323-L326 HydrophobicContact CB-CG 3.8Å; L326-P334 WeakPolarHBondContact O-CD 3.34Å
327R96.3Very high95.4Very high123 Ų12368.4 Ų68.446%0.46437%0.37SS..  trans-108.2134.6-179.1-59.7-172.8175-150.5-16.4111.2R294 L325 D331 E332 T333R294-R327 PolarHBondContact NH2-O 3.28Å; L325-R327 PolarHBondContact O-N 3.23Å; R327-D331 WeakPolarHBondContact CD-OD1 3.36Å; R327-D331 IonicContact CZ-OD1 3.67Å; R327-D331 IonicContact NE-OD1 3.83Å; R327-D331 IonicContact NH1-OD1 2.8Å; R327-D331 PolarHBondContact NH1-OD1 3.37Å; R327-D331 IonicContact NH1-OD2 2.8Å; R327-D331 PolarHBondContact NH1-OD2 2.92Å; R327-E332 CarbonylContact C-O 3.54Å; R327-E332 VanDerWaalsContact CA-O 3.27Å; R327-E332 WeakPolarHBondContact CA-O 3.46Å; R327-T333 HydrophobicContact CG-CG2 3.91Å
328N95.9Very high94.8Very high10 Ų1070.8 Ų70.85%0.05339%0.385CS..  trans-68.3-175.1173.273.24000111.8E330 D331 E332N328-E330 PolarHBondContact O-N 3.37Å; N328-E330 VanDerWaalsContact OD1-C 3.32Å; N328-E330 VanDerWaalsContact OD1-CA 3.3Å; N328-E330 WeakPolarHBondContact OD1-CA 3.47Å; N328-E330 WeakPolarHBondContact OD1-CB 3.33Å; N328-E330 PolarHBondContact OD1-N 2.66Å; N328-D331 PolarHBondContact O-N 3.03Å; N328-D331 VanDerWaalsContact O-N 3.16Å; N328-D331 PolarHBondContact OD1-N 3.12Å; N328-D331 VanDerWaalsContact OD1-N 3.16Å; N328-E332 PolarHBondContact N-O 3.28Å; N328-E332 PolarHBondContact ND2-OE2 3.48Å; N328-E332 WeakPolarHBondContact OD1-CB 3.03Å; N328-E332 PolarHBondContact OD1-N 3.42Å; N328-E332 PolarHBondContact OD1-O 3.45Å
329V96.9Very high93.4Very high104 Ų10477.3 Ų77.363%0.6341%0.411SS*.THydrogen-bonded Turntrans-67.3-15.9178.1-62.30000113.8N297 D331N297-V329 VanDerWaalsContact C-CG1 3.5Å; N297-V329 HydrophobicContact CB-CG2 4.1Å; N297-V329 WeakPolarHBondContact O-CG1 3.31Å; N297-V329 VanDerWaalsContact O-CG2 3.24Å; N297-V329 WeakPolarHBondContact O-CG2 3.43Å; N297-V329 PolarHBondContact O-N 3.45Å; V329-D331 VanDerWaalsContact C-N 3.31Å
330E95.4Very high91.4Very high137 Ų13775.6 Ų75.664%0.6441%0.405SS*.THydrogen-bonded Turntrans-92.78.9176.9-59-176.4116.800112N328 E332N328-E330 PolarHBondContact O-N 3.37Å; N328-E330 VanDerWaalsContact OD1-C 3.32Å; N328-E330 VanDerWaalsContact OD1-CA 3.3Å; N328-E330 WeakPolarHBondContact OD1-CA 3.47Å; N328-E330 WeakPolarHBondContact OD1-CB 3.33Å; N328-E330 PolarHBondContact OD1-N 2.66Å; E330-E332 HydrophobicContact CB-CG 4.15Å; E330-E332 PolarHBondContact O-N 3.23Å
331D95.8Very high89.1Confident99 Ų9979.1 Ų79.153%0.52943%0.427SS..SBendtrans65.418.9-178-159.742.9000114.1R327 N328 V329R327-D331 WeakPolarHBondContact CD-OD1 3.36Å; R327-D331 IonicContact CZ-OD1 3.67Å; R327-D331 IonicContact NE-OD1 3.83Å; R327-D331 IonicContact NH1-OD1 2.8Å; R327-D331 PolarHBondContact NH1-OD1 3.37Å; R327-D331 IonicContact NH1-OD2 2.8Å; R327-D331 PolarHBondContact NH1-OD2 2.92Å; N328-D331 PolarHBondContact O-N 3.03Å; N328-D331 VanDerWaalsContact O-N 3.16Å; N328-D331 PolarHBondContact OD1-N 3.12Å; N328-D331 VanDerWaalsContact OD1-N 3.16Å; V329-D331 VanDerWaalsContact C-N 3.31Å
332E95.1Very high86.7Confident61 Ų6182.6 Ų82.629%0.28543%0.433SS..  trans-94.4134.3179.7-58170.7138.200110.6H303 R327 N328 E330 D336 L337H303-E332 PolarHBondContact NE2-O 2.73Å; H303-E332 VanDerWaalsContact NE2-O 3.11Å; R327-E332 CarbonylContact C-O 3.54Å; R327-E332 VanDerWaalsContact CA-O 3.27Å; R327-E332 WeakPolarHBondContact CA-O 3.46Å; N328-E332 PolarHBondContact N-O 3.28Å; N328-E332 PolarHBondContact ND2-OE2 3.48Å; N328-E332 WeakPolarHBondContact OD1-CB 3.03Å; N328-E332 PolarHBondContact OD1-N 3.42Å; N328-E332 PolarHBondContact OD1-O 3.45Å; E330-E332 HydrophobicContact CB-CG 4.15Å; E330-E332 PolarHBondContact O-N 3.23Å; E332-D336 HydrophobicContact CB-CB 4.07Å; E332-L337 HydrophobicContact CB-CD2 4.45Å; E332-L337 VanDerWaalsContact OE2-CD2 3.3Å; E332-L337 WeakPolarHBondContact OE2-CD2 3.36Å
333T96.4Very high84.5Confident16 Ų1686.1 Ų86.110%0.09845%0.453CS..  trans-80.6166.2166.867.10000110.5R327 Q335 D336R327-T333 HydrophobicContact CG-CG2 3.91Å; T333-Q335 PolarHBondContact O-N 3.08Å; T333-Q335 VanDerWaalsContact O-N 3.12Å; T333-Q335 PolarHBondContact OG1-N 3.1Å; T333-D336 WeakPolarHBondContact CB-OD2 3.35Å; T333-D336 PolarHBondContact N-OD2 3.26Å; T333-D336 PolarHBondContact O-N 2.87Å; T333-D336 VanDerWaalsContact OG1-CG 3.23Å; T333-D336 PolarHBondContact OG1-N 2.85Å; T333-D336 PolarHBondContact OG1-OD2 3.28Å
334P93.9Very high82.2Confident4 Ų487 Ų873%0.02646%0.457CS..THydrogen-bonded Turntrans-54.1-33.5172.2-25.733.6000113.3L302 H303 A306 S324 L326 L337L302-P334 HydrophobicContact CB-CB 4.48Å; L302-P334 HydrophobicContact CB-CG 4.21Å; L302-P334 HydrophobicContact CD2-CB 4.25Å; L302-P334 HydrophobicContact CD2-CG 3.98Å; L302-P334 HydrophobicContact CG-CB 3.83Å; L302-P334 HydrophobicContact CG-CG 3.88Å; H303-P334 WeakPolarHBondContact NE2-CD 3.32Å; A306-P334 HydrophobicContact CB-CB 4.04Å; A306-P334 WeakPolarHBondContact CB-O 3.44Å; S324-P334 WeakPolarHBondContact O-CD 3.4Å; L326-P334 WeakPolarHBondContact O-CD 3.34Å; P334-L337 PolarHBondContact O-N 3.11Å
335Q91.3Very high80Confident102 Ų10288 Ų8848%0.47746%0.457SS..THydrogen-bonded Turntrans-71-32.4179.5-173.31731.600112.3T333 L337 T338T333-Q335 PolarHBondContact O-N 3.08Å; T333-Q335 VanDerWaalsContact O-N 3.12Å; T333-Q335 PolarHBondContact OG1-N 3.1Å; Q335-L337 PolarHBondContact O-N 2.94Å; Q335-T338 PolarHBondContact O-N 3.32Å; Q335-T338 PolarHBondContact O-OG1 3.27Å
336D92.3Very high77.7Confident99 Ų9987 Ų8753%0.52946%0.459SS..THydrogen-bonded Turntrans-66.4-24.1177.9-59.6-47.7000111.6E332 T333E332-D336 HydrophobicContact CB-CB 4.07Å; T333-D336 WeakPolarHBondContact CB-OD2 3.35Å; T333-D336 PolarHBondContact N-OD2 3.26Å; T333-D336 PolarHBondContact O-N 2.87Å; T333-D336 VanDerWaalsContact OG1-CG 3.23Å; T333-D336 PolarHBondContact OG1-N 2.85Å; T333-D336 PolarHBondContact OG1-OD2 3.28Å
337L89Confident75.3Confident47 Ų4791.5 Ų91.525%0.24648%0.477CS..THydrogen-bonded Turntrans-83.6-7.1177.6-63.2177.8000114.3H303 G307 E332 P334 Q335 E339H303-L337 HydrophobicContact CB-CD1 3.79Å; G307-L337 WeakPolarHBondContact CA-O 3.5Å; E332-L337 HydrophobicContact CB-CD2 4.45Å; E332-L337 VanDerWaalsContact OE2-CD2 3.3Å; E332-L337 WeakPolarHBondContact OE2-CD2 3.36Å; P334-L337 PolarHBondContact O-N 3.11Å; Q335-L337 PolarHBondContact O-N 2.94Å; L337-E339 PolarHBondContact O-N 3.23Å
338T85.7Confident72.9Confident51 Ų5192.3 Ų92.331%0.31349%0.491SS..  trans-71.9120.4179.958.70000110.5A306 Q335 E340A306-T338 HydrophobicContact CB-CG2 3.9Å; Q335-T338 PolarHBondContact O-N 3.32Å; Q335-T338 PolarHBondContact O-OG1 3.27Å; T338-E340 PolarHBondContact O-N 3.19Å; T338-E340 PolarHBondContact OG1-O 2.97Å
339E67.3Low70.6Confident184 Ų18499.5 Ų99.586%0.8653%0.529SS*.SBendtrans-59.9-12.9175.8-70-86.6156.200113.4L337L337-E339 PolarHBondContact O-N 3.23Å
340E54.6Low67.9Low138 Ų138100.7 Ų100.765%0.64553%0.531SS*.SBendtrans-124.8124.2171.5-64.8-160.2169.700111.7T338 L342T338-E340 PolarHBondContact O-N 3.19Å; T338-E340 PolarHBondContact OG1-O 2.97Å; E340-L342 PolarHBondContact O-N 3.02Å
341S48.7Very low65.5Low123 Ų123103.7 Ų103.786%0.8654%0.542SS*.  trans-66.465.6167.9-172.50000111
342L46.2Very low63.2Low124 Ų124106 Ų10665%0.64955%0.553SS**  trans-140.186.2176.3-71.1178.6000111.6E340E340-L342 PolarHBondContact O-N 3.02Å
343V49.6Very low60.7Low86 Ų86108.2 Ų108.252%0.52158%0.575SS.*  trans42.888.8141.4-164.70000116.5L345V343-L345 HydrophobicContact CG1-CB 3.93Å; V343-L345 HydrophobicContact CG1-CD1 4.22Å; V343-L345 HydrophobicContact CG1-CG 3.99Å
344L49.1Very low58.2Low83 Ų83110.8 Ų110.844%0.43560%0.604SS.*  trans-107.253.4151.4-136.8156.1000108.1M311M311-L344 HydrophobicContact CE-CD1 3.59Å; M311-L344 HydrophobicContact CE-CG 4.25Å; M311-L344 HydrophobicContact SD-CD1 4.24Å
345L47.8Very low55.8Low84 Ų84119.5 Ų119.544%0.4464%0.642SS.*  trans-83130.7176-69.6179.3000109.7V343 F347V343-L345 HydrophobicContact CG1-CB 3.93Å; V343-L345 HydrophobicContact CG1-CD1 4.22Å; V343-L345 HydrophobicContact CG1-CG 3.99Å; L345-F347 HydrophobicContact CB-CB 4.49Å; L345-F347 HydrophobicContact CB-CD2 4.35Å; L345-F347 HydrophobicContact CD2-CD2 4.35Å; L345-F347 PolarHBondContact O-N 2.94Å; L345-F347 VanDerWaalsContact O-N 3.11Å
346P47.4Very low53.3Low110 Ų110121.9 Ų121.971%0.71466%0.657SS**THydrogen-bonded Turntrans-74.512.5170.132.4-35.9000113.1
347F46.4Very low51Low136 Ų136125 Ų12560%0.59667%0.673SS**THydrogen-bonded Turntrans-99.93.1-170.1-69.5-73.4000115.3L345 D349 L350L345-F347 HydrophobicContact CB-CB 4.49Å; L345-F347 HydrophobicContact CB-CD2 4.35Å; L345-F347 HydrophobicContact CD2-CD2 4.35Å; L345-F347 PolarHBondContact O-N 2.94Å; L345-F347 VanDerWaalsContact O-N 3.11Å; F347-D349 PolarHBondContact O-N 2.81Å; F347-L350 HydrophobicContact CD1-CD1 4.27Å; F347-L350 PolarHBondContact O-N 3Å
348D46.8Very low48.7Very low141 Ų141129.3 Ų129.375%0.75470%0.696SS**THydrogen-bonded Turntrans-65.6-6.4-179.3-82-20.1000114.5
349D46Very low46.6Very low160 Ų160132.8 Ų132.886%0.85672%0.721SS**THydrogen-bonded Turntrans-93.40.7177.9-86.2-26000115.6F347 K351F347-D349 PolarHBondContact O-N 2.81Å; D349-K351 VanDerWaalsContact C-N 3.28Å; D349-K351 PolarHBondContact O-N 3.29Å
350L42.3Very low45.5Very low129 Ų129130.2 Ų130.268%0.67572%0.717SS**  trans-79.479.1169.5-97.8138.5000110.5F347 I352F347-L350 HydrophobicContact CD1-CD1 4.27Å; F347-L350 PolarHBondContact O-N 3Å; L350-I352 PolarHBondContact O-N 2.77Å
351K44.8Very low45.1Very low200 Ų200135.1 Ų135.187%0.8775%0.748SS**  trans-60.188155.5-88.8165.8177.8158.40108.5D349 S353D349-K351 VanDerWaalsContact C-N 3.28Å; D349-K351 PolarHBondContact O-N 3.29Å; K351-S353 VanDerWaalsContact C-N 3.25Å; K351-S353 PolarHBondContact O-N 2.88Å
352I45.7Very low44.9Very low149 Ų149135.8 Ų135.876%0.76474%0.743SS**  trans-6394.6163.7-58.9170.9000106L350 G354L350-I352 PolarHBondContact O-N 2.77Å; I352-G354 PolarHBondContact O-N 2.87Å
353S44.1Very low44.9Very low106 Ų106136.4 Ų136.474%0.74175%0.748SS**  trans-67.687.9166.9-172.80000107.2K351 K355K351-S353 VanDerWaalsContact C-N 3.25Å; K351-S353 PolarHBondContact O-N 2.88Å; S353-K355 VanDerWaalsContact C-N 3.32Å; S353-K355 PolarHBondContact O-N 2.85Å
354G43.5Very low44.6Very low70 Ų70139.2 Ų139.272%0.72276%0.76SS**  trans-64.989.2174.100000110.4I352I352-G354 PolarHBondContact O-N 2.87Å
355K42.7Very low44.3Very low188 Ų188142.5 Ų142.582%0.81778%0.779SS**  trans-84.5109.7154.6-81.4-174.1177.3178.10107.6S353 L357S353-K355 VanDerWaalsContact C-N 3.32Å; S353-K355 PolarHBondContact O-N 2.85Å; K355-L357 PolarHBondContact O-N 3.48Å; K355-L357 VanDerWaalsContact O-N 3.1Å
356L39.3Very low44.1Very low151 Ų151146.1 Ų146.179%0.79180%0.801SS**  trans-61.3106.7170.3-156.483.3000108.2L358L356-L358 HydrophobicContact CD2-CG 4.24Å; L356-L358 PolarHBondContact O-N 3.11Å; L356-L358 VanDerWaalsContact O-N 3.11Å
357L43.7Very low43.9Very low164 Ų164148.5 Ų148.586%0.85981%0.806SS**  trans-73.196.4166.1-87.2161.4000107.4K355 C359K355-L357 PolarHBondContact O-N 3.48Å; K355-L357 VanDerWaalsContact O-N 3.1Å; L357-C359 PolarHBondContact O-N 3.3Å
358L40.1Very low43.7Very low139 Ų139149.4 Ų149.473%0.72882%0.821SS**  trans-72106.7162.7-83.7155.8000107.5L356 T360L356-L358 HydrophobicContact CD2-CG 4.24Å; L356-L358 PolarHBondContact O-N 3.11Å; L356-L358 VanDerWaalsContact O-N 3.11Å; L358-T360 PolarHBondContact O-N 3.1Å
359C43.4Very low43.5Very low124 Ų124150.1 Ų150.184%0.83883%0.827SS**  trans-66.7124.6160.4-66.10000108L357L357-C359 PolarHBondContact O-N 3.3Å
360T42.9Very low43.3Very low129 Ų129149.3 Ų149.379%0.79182%0.824SS**  trans-116.6121163.451.10000107.5L358L358-T360 PolarHBondContact O-N 3.1Å
361D46.6Very low43.3Very low242 Ų242151.1 Ų151.1100%1.29484%0.838SS**  trans-67.40166.7-69-44.5000112

Retrieved 361 of 361 residues in 60.2 ms (Link to these results)