A0A060XNP6_ONCMY Loading...

LIX1-like protein

AlphaFold DB , UniProt , Accession A0A060XNP6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110488214, Length 351 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.8Very low33Very low218 Ų218161.6 Ų161.6100%1.07480%0.797SS**  053.70-57.3175.9-178.400109.6
2E30.6Very low32.4Very low182 Ų182153.3 Ų153.385%0.8578%0.784SS**  58105.959.8-66.2164123.600111.4
3S30.6Very low32Very low98 Ų98154.5 Ų154.569%0.68579%0.79SS**  99.1119.164.8-162.40000107.8
4I34.8Very low31.5Very low153 Ų153160.5 Ų160.579%0.78580%0.798SS**  -174.6123.483.2-82.1153.2000104.8
5R35.8Very low31.2Very low221 Ų221163.9 Ų163.983%0.83481%0.807SS**  60.9158.466.3-89.2-165.3179.2172.53.3115.1
6P44.6Very low30.8Very low93 Ų93158.1 Ų158.160%0.60480%0.803SS**  cis-143.8173.1-28.840.5-23.2000115.7
7Q29.4Very low30.6Very low161 Ų161155.1 Ų155.175%0.75281%0.807SS**  trans54.7160.5134.4-74.2-173.229.900122.6
8R27.2Very low30.3Very low199 Ų199150.8 Ų150.875%0.75181%0.807SS**  cis-179.7171.4-17.7-175-172.8-161.6-166.55.9108
9L28.4Very low30.1Very low147 Ų147148.4 Ų148.477%0.7780%0.803SS**  trans103.9116.3152.3-60.4169.3000118.4
10Q30.7Very low30Very low176 Ų176148.2 Ų148.282%0.82281%0.807SS**  trans-77.5165.6141.9-61.8-178.10.500109.4
11P33.1Very low29.9Very low130 Ų130144.3 Ų144.384%0.84480%0.802SS**  -140171.9101.736-21.8000113.5
12G25.9Very low29.4Very low62 Ų62139.9 Ų139.964%0.63979%0.787SS**  trans-114.6-152.5-174.400000115.8
13I26.6Very low29.2Very low168 Ų168138.1 Ų138.186%0.86278%0.783SS**  trans81115.4172.6-51.8163.1000116.4
14R25.9Very low29.1Very low239 Ų239143.7 Ų143.790%0.90279%0.789SS**  -175.4153.6112-170.4169.8-84-167-3.8113
15F26Very low28.7Very low211 Ų211140.5 Ų140.593%0.92578%0.78SS**  trans-80.2164.2178.6-85.9-113.9000115.6
16G26.3Very low28.2Very low72 Ų72135.3 Ų135.374%0.74278%0.778SS**  trans141.1123.6157.900000111.8
17A26Very low27.5Very low107 Ų107139.5 Ų139.588%0.88479%0.794SS**  cis109.211425.200000112.5
18G25.4Very low27.5Very low78 Ų78142.9 Ų142.980%0.80480%0.8SS**  trans78.9160.2175.400000115.9
19S27.1Very low28.1Very low105 Ų105138.9 Ų138.973%0.73480%0.8SS**  cis-175.8143.6-14.348.50000111.1
20T27.2Very low28Very low143 Ų143135.3 Ų135.388%0.87780%0.798SS**  trans57.8145.3148.751.30000123.4
21G28.8Very low27.9Very low67 Ų67134 Ų13469%0.69180%0.803SS**  trans113.2101.8169.300000111.9
22T26.2Very low27.7Very low126 Ų126133.7 Ų133.777%0.77380%0.798SS**  cis74.8133.235.9-29.20000114.3
23L27.6Very low27.9Very low145 Ų145136.9 Ų136.976%0.75981%0.805SS**  trans79.2149.3166.6-55.3-174.9000117.6
24R27.8Very low28.3Very low214 Ų214134.7 Ų134.781%0.80880%0.802SS**  cis-170.5149.4-30.7-147.6-172.3-155.5176.42.6108.9
25S26.3Very low28.3Very low87 Ų87129.6 Ų129.661%0.60880%0.797SS**  trans50120.5143.257.60000122.7
26S26.5Very low28.4Very low112 Ų112123.6 Ų123.678%0.78379%0.787SS**  74.6134124.9-55.50000121.4
27L29.6Very low28.9Very low181 Ų181125.8 Ų125.895%0.94879%0.788SS**  -156.8158.8121.8-103.1162.1000111.8
28R28.8Very low28.9Very low231 Ų231128.3 Ų128.387%0.87279%0.786SS**  trans-110.5-162.2-165.3-111.4-171170.7-173.2-1.8109.1
29P40.4Very low29.2Very low115 Ų115131.7 Ų131.775%0.74779%0.785SS**  -139.2-178.5-56.141.2-24.6000114.4
30G26Very low29.4Very low72 Ų72132.4 Ų132.474%0.74279%0.786SS**  111.8136126.200000120.3
31V28Very low29.6Very low150 Ų150131 Ų13191%0.90978%0.78SS**  trans-168.2154.6134.9155.70000106.5
32T28.5Very low29.6Very low122 Ų122134 Ų13475%0.74879%0.787SS**  trans-136.9141.7-161.344.50000116.2
33V30.2Very low29.7Very low129 Ų129132.6 Ų132.678%0.78279%0.789SS**  trans75.3146.6140.4165.80000116.5
34P35.5Very low29.6Very low123 Ų123130.9 Ų130.980%0.79979%0.789SS**  cis-133.9171.531.124.91.1000121.4
35T27.4Very low29.5Very low131 Ų131129.2 Ų129.280%0.80480%0.795SS**  trans-62.4162.3173.4-23.20000112.9
36A27.4Very low29.6Very low85 Ų85130 Ų13070%0.70280%0.8SS**  cis-162.8-162.539.400000113.7
37P36.2Very low29.9Very low119 Ų119129.9 Ų129.977%0.77381%0.806SS**  -109165.4-103.940.1-26.6000114.9
38L25.7Very low29.9Very low159 Ų159126.1 Ų126.183%0.83280%0.795SS**  trans-172.7136153.5-102.9160.7000112
39L31.2Very low29.8Very low150 Ų150120.8 Ų120.879%0.78579%0.793SS**  trans37.5132.1158.2-70161.2000122
40P31.6Very low29.2Very low119 Ų119118.3 Ų118.377%0.77379%0.789SS**PPolyproline II helixtrans-78.1130.4169.132.3-32.2000112
41P32.5Very low29.3Very low115 Ų115118.4 Ų118.475%0.74778%0.776SS**PPolyproline II helixtrans-75.3156.6166.631.6-33.3000111.3
42P29.3Very low29.4Very low128 Ų128115.1 Ų115.183%0.83176%0.758SS**PPolyproline II helixtrans-71.7164.1-174.230.2-36000113.3
43A27.7Very low29.2Very low98 Ų98113.5 Ų113.581%0.8175%0.749SS**PPolyproline II helixtrans-52.3136.1-171.800000114.1L45A43-L45 PolarHBondContact O-N 3.24Å
44S24.3Very low29.2Very low109 Ų109109.4 Ų109.476%0.76273%0.726SS**PPolyproline II helixtrans-51.6124.8169.4-44.50000110.5S46S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.13Å
45L27.3Very low28.9Very low179 Ų179105.8 Ų105.894%0.93770%0.699SS**  trans-6590.6165.9-74.8167.8000108.5A43 A47A43-L45 PolarHBondContact O-N 3.24Å; L45-A47 PolarHBondContact O-N 3.36Å
46S26.9Very low28.9Very low103 Ų103105.9 Ų105.972%0.7269%0.69SS**  trans-61.4118.4171.4-68.70000108.9S44 S48S44-S46 VanDerWaalsContact C-N 3.26Å; S44-S46 PolarHBondContact O-N 3.13Å; S46-S48 PolarHBondContact O-N 2.69Å
47A34.5Very low29.1Very low109 Ų109104.7 Ų104.790%0.90167%0.672SS**  trans-54.5122.2167.400000108.9L45L45-A47 PolarHBondContact O-N 3.36Å
48S28.2Very low28.8Very low103 Ų103101.8 Ų101.872%0.7265%0.648SS**  trans-135.6129.9166.9620000110.4S46S46-S48 PolarHBondContact O-N 2.69Å
49S27.8Very low28.8Very low118 Ų11896.7 Ų96.783%0.82563%0.626SS**  trans52.693.6153.1-50.10000116.8
50G26.4Very low28.7Very low64 Ų6493 Ų9366%0.6661%0.606SS**PPolyproline II helixtrans-54156.9157.200000111.4
51P30Very low28.5Very low74 Ų7491.3 Ų91.348%0.48159%0.588SS.*PPolyproline II helixtrans-62.1134.2-173.724.6-32.4000110.6
52P28.2Very low28.1Very low80 Ų8088.8 Ų88.852%0.51958%0.583SS.*PPolyproline II helixtrans-61156.517526.3-34000110.5F208P52-F208 HydrophobicContact CB-CE1 4.43Å
53P26Very low27.8Very low88 Ų8889.6 Ų89.657%0.57159%0.586SS**PPolyproline II helixtrans-57.7166.3166.928.9-35.8000110
54P29.3Very low27.7Very low44 Ų4493.4 Ų93.429%0.28659%0.591SS.*PPolyproline II helixtrans-57.4154.7169.6-14.729000109Q56 H251P54-Q56 PolarHBondContact O-N 3.11Å; P54-H251 WeakPolarHBondContact CD-CE1 3.46Å; P54-H251 WeakPolarHBondContact CD-NE2 3.19Å; P54-H251 HydrophobicContact CG-CB 3.55Å; P54-H251 WeakPolarHBondContact CG-CD2 3.18Å; P54-H251 WeakPolarHBondContact CG-ND1 3.28Å
55L28.4Very low27.7Very low46 Ų4691.4 Ų91.424%0.24159%0.588CS.*  trans-59.891165-55.4177.4000108.3L57 F208 F225L55-L57 PolarHBondContact O-N 3.26Å; L55-F208 HydrophobicContact CD2-CD2 3.99Å; L55-F208 HydrophobicContact CD2-CE2 3.22Å; L55-F208 HydrophobicContact CD2-CZ 3.6Å; L55-F225 HydrophobicContact CD1-CB 3.76Å; L55-F225 HydrophobicContact CD1-CD1 3.88Å; L55-F225 HydrophobicContact CD1-CD2 3.88Å; L55-F225 HydrophobicContact CD1-CE1 4.42Å; L55-F225 HydrophobicContact CD1-CE2 4.43Å; L55-F225 HydrophobicContact CD1-CG 3.57Å
56Q28.2Very low27.5Very low133 Ų13389.5 Ų89.562%0.62159%0.589SS**  trans-65108.2170.4-83.8-166.9-53.600107.1P54 H58P54-Q56 PolarHBondContact O-N 3.11Å; Q56-H58 HydrophobicContact CB-CB 4.45Å; Q56-H58 PolarHBondContact O-N 2.98Å
57L32.4Very low27.3Very low60 Ų6089.4 Ų89.431%0.31459%0.594SS.*  trans-7666.1-176.5-156.971.5000109.6L55 S59 F76L55-L57 PolarHBondContact O-N 3.26Å; L57-S59 WeakPolarHBondContact CA-OG 3.39Å; L57-F76 WeakPolarHBondContact O-CE2 3.24Å
58H29.6Very low26.7Very low58 Ų5887.5 Ų87.527%0.26959%0.585SS.*  trans-135.136.3-165.9-63.3-12.8000114.7Q56 G75 F76Q56-H58 HydrophobicContact CB-CB 4.45Å; Q56-H58 PolarHBondContact O-N 2.98Å; H58-G75 CarbonylContact O-C 3.56Å; H58-G75 WeakPolarHBondContact O-CA 3.37Å; H58-G75 PolarHBondContact O-N 2.65Å; H58-F76 PolarHBondContact O-N 3.06Å; H58-F76 VanDerWaalsContact O-N 3.11Å
59S25.2Very low26.5Very low53 Ų5391.2 Ų91.237%0.37160%0.596SS.*  cis90.8-88.930.6-43.90000118.2L57 G77L57-S59 WeakPolarHBondContact CA-OG 3.39Å; S59-G77 VanDerWaalsContact C-N 3.27Å; S59-G77 CarbonylContact O-C 3.53Å; S59-G77 WeakPolarHBondContact O-CA 3.31Å; S59-G77 PolarHBondContact O-N 2.7Å
60L29.1Very low26.2Very low72 Ų7288.7 Ų88.738%0.37759%0.589SS.*SBendtrans-132.152.5-150.5-67.1-177.5000122F76 L78L60-F76 VanDerWaalsContact C-CD1 3.41Å; L60-F76 HydrophobicContact CB-CD2 4.35Å; L60-F76 HydrophobicContact CB-CE2 3.89Å; L60-F76 HydrophobicContact CB-CZ 3.99Å; L60-F76 WeakPolarHBondContact O-CE1 3.26Å; L60-L78 HydrophobicContact CB-CD1 4.46Å; L60-L78 HydrophobicContact CB-CD2 4.25Å; L60-L78 HydrophobicContact CB-CG 3.78Å; L60-L78 HydrophobicContact CD1-CD2 4.48Å; L60-L78 HydrophobicContact CD2-CD2 3.79Å; L60-L78 HydrophobicContact CD2-CG 3.96Å; L60-L78 HydrophobicContact CG-CD2 4.36Å; L60-L78 HydrophobicContact CG-CG 4.36Å; L60-L78 WeakPolarHBondContact O-CD1 3.28Å; L60-L78 VanDerWaalsContact O-CG 3.28Å; L60-L78 WeakPolarHBondContact O-CG 3.5Å
61H26.7Very low26.1Very low84 Ų8493 Ų9339%0.38960%0.603SS.*  trans-177.8126.6164.1-120.684.9000116F76 G77H61-F76 CarbonylContact C-O 3.51Å; H61-F76 VanDerWaalsContact C-O 3.25Å; H61-F76 HydrophobicContact CB-CB 4.38Å; H61-F76 HydrophobicContact CB-CD1 3.18Å; H61-F76 HydrophobicContact CB-CE1 3.66Å; H61-F76 HydrophobicContact CB-CG 4.07Å; H61-F76 VanDerWaalsContact N-CD1 3.26Å; H61-F76 VanDerWaalsContact N-CG 3.32Å; H61-F76 CarbonylContact O-C 3.54Å; H61-F76 WeakPolarHBondContact O-CB 3.25Å; H61-G77 VanDerWaalsContact N-CA 3.29Å
62G24.5Very low26.1Very low62 Ų6292.8 Ų92.864%0.63961%0.613SS**  trans-120.3163-173.300000117.9
63T23.5Very low26.1Very low145 Ų14595.3 Ų95.389%0.8963%0.627SS**  trans-132.5160.7174.239.20000112.8
64I26.1Very low26.1Very low177 Ų17796.1 Ų96.191%0.90864%0.641SS**  trans-94.2128.8-169.5-63.7168.8000112
65G23.5Very low26.1Very low68 Ų6896 Ų9670%0.70165%0.648SS**  trans109.8134.1140.300000119.4
66S22.7Very low26Very low139 Ų13996.2 Ų96.297%0.97265%0.647SS**  trans86.7153.1164.5-143.30000118.4
67A23.2Very low25.8Very low100 Ų10091.8 Ų91.883%0.82664%0.637SS**  trans-121.1152-156.700000113.8
68G21.1Very low25.8Very low69 Ų6992.2 Ų92.271%0.71164%0.639SS**  trans155.4108.8166.400000115.2
69L23.5Very low25.9Very low182 Ų18292.6 Ų92.695%0.95365%0.648SS**  trans18.4123.8161.4-73.681.7000120.7
70G22.9Very low26Very low65 Ų6597.7 Ų97.767%0.6767%0.671SS**  106.3143127.300000117.8
71T23.1Very low26.3Very low155 Ų15597.3 Ų97.395%0.95167%0.673SS**  trans68.1147.2-179.980000115.3
72G30.5Very low27.1Very low68 Ų6896.9 Ų96.970%0.70169%0.691SS**  trans-83.1-167.4-163.900000115.6
73V28.9Very low28Very low134 Ų13498.6 Ų98.681%0.81269%0.686SS**  trans81.577.8-173.2-1650000113.8
74A26.4Very low29.1Very low105 Ų10595.7 Ų95.787%0.86867%0.67SS**  trans-87.1127.9146.800000107.3
75G28.5Very low30Very low42 Ų4289.7 Ų89.743%0.43365%0.646SS.*  cis132.3118.91100000107.6H58 G77H58-G75 CarbonylContact O-C 3.56Å; H58-G75 WeakPolarHBondContact O-CA 3.37Å; H58-G75 PolarHBondContact O-N 2.65Å; G75-G77 PolarHBondContact O-N 3.18Å
76F25.7Very low31.2Very low49 Ų4988.5 Ų88.522%0.21563%0.625CS.*  trans-55.1131.9-177.2-137.1-139.8000109.2L57 H58 L60 H61 R320L57-F76 WeakPolarHBondContact O-CE2 3.24Å; H58-F76 PolarHBondContact O-N 3.06Å; H58-F76 VanDerWaalsContact O-N 3.11Å; L60-F76 VanDerWaalsContact C-CD1 3.41Å; L60-F76 HydrophobicContact CB-CD2 4.35Å; L60-F76 HydrophobicContact CB-CE2 3.89Å; L60-F76 HydrophobicContact CB-CZ 3.99Å; L60-F76 WeakPolarHBondContact O-CE1 3.26Å; H61-F76 CarbonylContact C-O 3.51Å; H61-F76 VanDerWaalsContact C-O 3.25Å; H61-F76 HydrophobicContact CB-CB 4.38Å; H61-F76 HydrophobicContact CB-CD1 3.18Å; H61-F76 HydrophobicContact CB-CE1 3.66Å; H61-F76 HydrophobicContact CB-CG 4.07Å; H61-F76 VanDerWaalsContact N-CD1 3.26Å; H61-F76 VanDerWaalsContact N-CG 3.32Å; H61-F76 CarbonylContact O-C 3.54Å; H61-F76 WeakPolarHBondContact O-CB 3.25Å; F76-R320 HydrophobicContact CD1-CB 4.34Å; F76-R320 HydrophobicContact CD1-CG 3.37Å; F76-R320 HydrophobicContact CE1-CB 3.84Å; F76-R320 HydrophobicContact CE1-CG 3.36Å; F76-R320 HydrophobicContact CG-CG 4.4Å; F76-R320 HydrophobicContact CZ-CG 4.34Å
77G25.4Very low32.5Very low40 Ų4086 Ų8641%0.41260%0.601SS.*  trans-167105.5174.500000115S59 H61 G75S59-G77 VanDerWaalsContact C-N 3.27Å; S59-G77 CarbonylContact O-C 3.53Å; S59-G77 WeakPolarHBondContact O-CA 3.31Å; S59-G77 PolarHBondContact O-N 2.7Å; H61-G77 VanDerWaalsContact N-CA 3.29Å; G75-G77 PolarHBondContact O-N 3.18Å
78L32.5Very low33.7Very low69 Ų6987.7 Ų87.736%0.36159%0.589SS.*  trans-72.4148.8-172.4-107.4156.5000115.4L60L60-L78 HydrophobicContact CB-CD1 4.46Å; L60-L78 HydrophobicContact CB-CD2 4.25Å; L60-L78 HydrophobicContact CB-CG 3.78Å; L60-L78 HydrophobicContact CD1-CD2 4.48Å; L60-L78 HydrophobicContact CD2-CD2 3.79Å; L60-L78 HydrophobicContact CD2-CG 3.96Å; L60-L78 HydrophobicContact CG-CD2 4.36Å; L60-L78 HydrophobicContact CG-CG 4.36Å; L60-L78 WeakPolarHBondContact O-CD1 3.28Å; L60-L78 VanDerWaalsContact O-CG 3.28Å; L60-L78 WeakPolarHBondContact O-CG 3.5Å
79C31Very low35.1Very low67 Ų6789.9 Ų89.945%0.45358%0.581SS.*  trans61.1118.3153.4-670000118.9
80N27.9Very low36.4Very low159 Ų15982 Ų8285%0.8554%0.542SS*.  -77.1120.7128.8-16910.5000107.1G82N80-G82 PolarHBondContact O-N 3.07Å
81P34.9Very low37.8Very low64 Ų6483 Ų8342%0.41654%0.535SS..  trans-67.9111.9-17826.7-34.6000110.7N83 P84P81-N83 PolarHBondContact O-N 3.42Å; P81-P84 HydrophobicContact CB-CB 4.08Å; P81-P84 HydrophobicContact CG-CB 4.32Å; P81-P84 HydrophobicContact CG-CG 4.48Å
82G43.4Very low39.4Very low75 Ų7579 Ų7977%0.77351%0.506SS*.SBendtrans-60.782.8154.400000109.2N80N80-G82 PolarHBondContact O-N 3.07Å
83N42.4Very low40.6Very low98 Ų9878 Ų7852%0.52449%0.49SS..  trans56.2105-170.6-164.1-6.7000114.7P81 A85 V86P81-N83 PolarHBondContact O-N 3.42Å; N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 WeakPolarHBondContact OD1-CB 3.46Å; N83-A85 PolarHBondContact OD1-N 2.96Å; N83-A85 VanDerWaalsContact OD1-N 3.15Å; N83-V86 HydrophobicContact CB-CG2 4.11Å; N83-V86 PolarHBondContact O-N 3.36Å
84P47.1Very low41.9Very low85 Ų8573.5 Ų73.555%0.55246%0.463SS*.Hα-helixtrans-62.1-16.7178.725.8-33.7000113.4P81 V86 K88P81-P84 HydrophobicContact CB-CB 4.08Å; P81-P84 HydrophobicContact CG-CB 4.32Å; P81-P84 HydrophobicContact CG-CG 4.48Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.07Å; P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.28Å; P84-K88 VanDerWaalsContact O-N 3.15Å
85A45.8Very low43.5Very low50 Ų5072.8 Ų72.841%0.41345%0.448SS..Hα-helixtrans-60.8-37.9169.600000112.7N83 K88 E89N83-A85 PolarHBondContact O-N 3.05Å; N83-A85 WeakPolarHBondContact OD1-CB 3.46Å; N83-A85 PolarHBondContact OD1-N 2.96Å; N83-A85 VanDerWaalsContact OD1-N 3.15Å; A85-K88 PolarHBondContact O-N 3.23Å; A85-E89 VanDerWaalsContact O-CB 3.22Å; A85-E89 WeakPolarHBondContact O-CB 3.42Å; A85-E89 PolarHBondContact O-N 3.06Å
86V49.1Very low44.7Very low44 Ų4476.7 Ų76.727%0.26745%0.45SS..Hα-helixtrans-69.8-39-178.5177.60000111.2N83 P84 E89 A90N83-V86 HydrophobicContact CB-CG2 4.11Å; N83-V86 PolarHBondContact O-N 3.36Å; P84-V86 VanDerWaalsContact C-N 3.33Å; P84-V86 PolarHBondContact O-N 3.07Å; V86-E89 PolarHBondContact O-N 3.16Å; V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 2.69Å
87L48.6Very low46Very low86 Ų8677.8 Ų77.845%0.4546%0.463SS..Hα-helixtrans-64.3-43.8175.3-157.889.3000110.9V91 F184L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.87Å; L87-V91 VanDerWaalsContact O-N 3.08Å; L87-F184 HydrophobicContact CD1-CE2 3.52Å; L87-F184 HydrophobicContact CD1-CZ 3.51Å
88K48Very low47.3Very low136 Ų13678.2 Ų78.259%0.59145%0.454SS*.Hα-helixtrans-64.5-44.7175.8179.8175.8170.4-179.70111.4P84 A85 V91 E92P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.28Å; P84-K88 VanDerWaalsContact O-N 3.15Å; A85-K88 PolarHBondContact O-N 3.23Å; K88-V91 PolarHBondContact O-N 3.42Å; K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.34Å; K88-E92 WeakPolarHBondContact CG-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.28Å; K88-E92 WeakPolarHBondContact O-CG 3.46Å; K88-E92 PolarHBondContact O-N 2.72Å
89E51.3Low48.2Very low115 Ų11578 Ų7854%0.53746%0.462SS..Hα-helixtrans-64.5-41.9178.5-178.3174.2-162.600112A85 V86 E92 A93A85-E89 VanDerWaalsContact O-CB 3.22Å; A85-E89 WeakPolarHBondContact O-CB 3.42Å; A85-E89 PolarHBondContact O-N 3.06Å; V86-E89 PolarHBondContact O-N 3.16Å; E89-E92 PolarHBondContact O-N 3.01Å; E89-A93 WeakPolarHBondContact O-CB 3.45Å; E89-A93 PolarHBondContact O-N 3.17Å
90A51.1Low49.1Very low17 Ų1783 Ų8314%0.1448%0.476CS..Hα-helixtrans-60.8-51.4173.800000110.8V86 E92 A93 V94V86-A90 WeakPolarHBondContact O-CB 3.34Å; V86-A90 PolarHBondContact O-N 2.69Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 2.61Å; A90-A93 PolarHBondContact O-N 3.44Å; A90-V94 VanDerWaalsContact O-CG2 3.26Å; A90-V94 WeakPolarHBondContact O-CG2 3.15Å; A90-V94 PolarHBondContact O-N 3.37Å
91V53Low49.9Very low84 Ų8483.2 Ų83.251%0.50947%0.471SS..Hα-helixtrans-61-40177.4172.50000111.7L87 K88 V94 V95L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.87Å; L87-V91 VanDerWaalsContact O-N 3.08Å; K88-V91 PolarHBondContact O-N 3.42Å; V91-V94 PolarHBondContact O-N 2.84Å; V91-V95 VanDerWaalsContact O-CG2 3.3Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.22Å
92E54.9Low50.4Low73 Ų7383 Ų8334%0.34147%0.469SS..Hα-helixtrans-69.1-36.8175.3-78.3-177.6-167.100113.1K88 E89 A90 V94 V95 R96K88-E92 WeakPolarHBondContact CE-OE1 3.42Å; K88-E92 HydrophobicContact CG-CG 4.34Å; K88-E92 WeakPolarHBondContact CG-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.67Å; K88-E92 VanDerWaalsContact O-CB 3.28Å; K88-E92 WeakPolarHBondContact O-CB 3.49Å; K88-E92 VanDerWaalsContact O-CG 3.28Å; K88-E92 WeakPolarHBondContact O-CG 3.46Å; K88-E92 PolarHBondContact O-N 2.72Å; E89-E92 PolarHBondContact O-N 3.01Å; A90-E92 VanDerWaalsContact C-N 3.32Å; A90-E92 PolarHBondContact O-N 2.61Å; E92-V94 VanDerWaalsContact C-N 3.29Å; E92-V95 PolarHBondContact O-N 3.38Å; E92-R96 WeakPolarHBondContact O-CB 3.47Å; E92-R96 WeakPolarHBondContact O-CG 3.37Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 PolarHBondContact O-NE 3.33Å; E92-R96 IonicContact OE2-CZ 2.71Å; E92-R96 IonicContact OE2-NE 3.7Å; E92-R96 IonicContact OE2-NH2 3.77Å; E92-R96 PolarHBondContact OE2-NH2 3.07Å
93A55.9Low50.3Low46 Ų4689 Ų8938%0.3848%0.477SS..Hα-helixtrans-65.6-38175.500000110.4E89 A90 R96 S97E89-A93 WeakPolarHBondContact O-CB 3.45Å; E89-A93 PolarHBondContact O-N 3.17Å; A90-A93 PolarHBondContact O-N 3.44Å; A93-R96 PolarHBondContact O-N 3.26Å; A93-S97 VanDerWaalsContact O-CB 3.28Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.5Å
94V57.3Low50.1Low40 Ų4086.7 Ų86.724%0.24248%0.477CS..Hα-helixtrans-63.6-50.8171.5173.80000111.1A90 V91 E92 R96 S97 F98 V183A90-V94 VanDerWaalsContact O-CG2 3.26Å; A90-V94 WeakPolarHBondContact O-CG2 3.15Å; A90-V94 PolarHBondContact O-N 3.37Å; V91-V94 PolarHBondContact O-N 2.84Å; E92-V94 VanDerWaalsContact C-N 3.29Å; V94-R96 VanDerWaalsContact C-N 3.33Å; V94-R96 PolarHBondContact O-N 3.4Å; V94-S97 PolarHBondContact O-N 3.29Å; V94-F98 HydrophobicContact CG1-CD2 3.76Å; V94-F98 HydrophobicContact CG1-CE2 3.39Å; V94-F98 HydrophobicContact CG1-CZ 4.45Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 PolarHBondContact O-N 3.27Å; V94-V183 HydrophobicContact CG1-CG1 4.42Å; V94-V183 HydrophobicContact CG2-CB 4.1Å; V94-V183 HydrophobicContact CG2-CG1 3.31Å
95V59.1Low49.6Very low90 Ų9094.9 Ų94.955%0.54550%0.498SS..Hα-helixtrans-60.5-39.8175.8169.70000111.8V91 E92 F98 A99V91-V95 VanDerWaalsContact O-CG2 3.3Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.22Å; E92-V95 PolarHBondContact O-N 3.38Å; V95-F98 PolarHBondContact O-N 2.94Å; V95-A99 VanDerWaalsContact O-CB 3.32Å; V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 2.88Å
96R55.2Low49.5Very low124 Ų12495.2 Ų95.247%0.46851%0.507SS..Hα-helixtrans-68.8-35.8176-77.3-179.8-107.2146.3-9.8112.2E92 A93 V94 K100E92-R96 WeakPolarHBondContact O-CB 3.47Å; E92-R96 WeakPolarHBondContact O-CG 3.37Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 PolarHBondContact O-NE 3.33Å; E92-R96 IonicContact OE2-CZ 2.71Å; E92-R96 IonicContact OE2-NE 3.7Å; E92-R96 IonicContact OE2-NH2 3.77Å; E92-R96 PolarHBondContact OE2-NH2 3.07Å; A93-R96 PolarHBondContact O-N 3.26Å; V94-R96 VanDerWaalsContact C-N 3.33Å; V94-R96 PolarHBondContact O-N 3.4Å; R96-K100 WeakPolarHBondContact O-CG 3.28Å; R96-K100 PolarHBondContact O-N 3.48Å; R96-K100 VanDerWaalsContact O-N 3.08Å
97S52.5Low49.9Very low72 Ų72105.1 Ų105.150%0.50354%0.539SS..Hα-helixtrans-66.1-44.2174.2-164.30000110.8A93 V94 K100 H101A93-S97 VanDerWaalsContact O-CB 3.28Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.5Å; V94-S97 PolarHBondContact O-N 3.29Å; S97-K100 PolarHBondContact O-N 3.33Å; S97-H101 PolarHBondContact O-N 3.23Å
98F53.1Low50.6Low49 Ų49103.8 Ų103.822%0.21553%0.534CS..Hα-helixtrans-63.2-45.3173.4-73.1-53.1000112.4V94 V95 K100 H101 T102 V108 A113 L179V94-F98 HydrophobicContact CG1-CD2 3.76Å; V94-F98 HydrophobicContact CG1-CE2 3.39Å; V94-F98 HydrophobicContact CG1-CZ 4.45Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 PolarHBondContact O-N 3.27Å; V95-F98 PolarHBondContact O-N 2.94Å; F98-K100 PolarHBondContact O-N 3.18Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.14Å; F98-T102 PolarHBondContact O-N 2.84Å; F98-T102 PolarHBondContact O-OG1 3.24Å; F98-T102 VanDerWaalsContact O-OG1 3.07Å; F98-V108 HydrophobicContact CB-CG2 4.22Å; F98-V108 HydrophobicContact CD1-CG1 4.19Å; F98-V108 HydrophobicContact CG-CG1 4.34Å; F98-A113 HydrophobicContact CD1-CB 4.33Å; F98-A113 HydrophobicContact CE1-CB 3.59Å; F98-A113 HydrophobicContact CZ-CB 4.08Å; F98-L179 HydrophobicContact CE2-CD2 4.2Å; F98-L179 HydrophobicContact CZ-CD1 4.12Å; F98-L179 HydrophobicContact CZ-CD2 3.86Å; F98-L179 HydrophobicContact CZ-CG 4.32Å
99A49.8Very low52.4Low63 Ų63100.3 Ų100.352%0.52152%0.522SS..Hα-helixtrans-61.3-27.9177.400000113.7V95V95-A99 VanDerWaalsContact O-CB 3.32Å; V95-A99 WeakPolarHBondContact O-CB 3.42Å; V95-A99 PolarHBondContact O-N 2.88Å
100K50.2Low54.1Low174 Ų17496.4 Ų96.476%0.75751%0.506SS*.Hα-helixtrans-77.8-30.5175.6-78.5-177.7176.1-173.30113.7R96 S97 F98R96-K100 WeakPolarHBondContact O-CG 3.28Å; R96-K100 PolarHBondContact O-N 3.48Å; R96-K100 VanDerWaalsContact O-N 3.08Å; S97-K100 PolarHBondContact O-N 3.33Å; F98-K100 PolarHBondContact O-N 3.18Å
101H45.4Very low56Low163 Ų16396.7 Ų96.776%0.75551%0.507SS*.Hα-helixtrans-83.1-24.4175.2-94-91.1000113.1S97 F98 Q103S97-H101 PolarHBondContact O-N 3.23Å; F98-H101 PolarHBondContact O-N 3.43Å; F98-H101 VanDerWaalsContact O-N 3.14Å; H101-Q103 PolarHBondContact O-N 3.4Å
102T44.7Very low57.8Low60 Ų6098.2 Ų98.237%0.36851%0.508SS..  trans-88.469.1173.555.70000112.5F98 G104 V108F98-T102 PolarHBondContact O-N 2.84Å; F98-T102 PolarHBondContact O-OG1 3.24Å; F98-T102 VanDerWaalsContact O-OG1 3.07Å; T102-G104 PolarHBondContact O-N 3.45Å; T102-V108 HydrophobicContact CG2-CG2 4.19Å
103Q41.7Very low59.4Low199 Ų19995 Ų9593%0.9349%0.494SS*.  trans-72.972.6158.3-78.7-160.9-8.500110H101H101-Q103 PolarHBondContact O-N 3.4Å
104G39.2Very low61.1Low51 Ų5192.8 Ų92.853%0.52648%0.476SS..SBendtrans174.9130.3-179.800000110.9T102 G106T102-G104 PolarHBondContact O-N 3.45Å; G104-G106 PolarHBondContact O-N 2.72Å
105Y36Very low62.8Low257 Ų25792.8 Ų92.8100%1.00847%0.473SS*.SBendtrans-63.495176.8-109.1-107.7000110.4
106G43.3Very low64.2Low57 Ų5793.7 Ų93.759%0.58847%0.471SS*.SBendtrans-171.7145.1179.700000112.3G104 V108G104-G106 PolarHBondContact O-N 2.72Å; G106-V108 PolarHBondContact O-N 2.71Å
107R57.2Low65.8Low251 Ų25188.8 Ų88.895%0.94745%0.454SS*.  trans-62.2131.3176.8-70.8176.7175170-2.1109.8N109R107-N109 PolarHBondContact O-N 2.96Å
108V64.3Low67.6Low58 Ų5885.5 Ų85.535%0.35243%0.43SS..  trans-50121.2174.4179.50000110.2F98 T102 G106 V110 A113F98-V108 HydrophobicContact CB-CG2 4.22Å; F98-V108 HydrophobicContact CD1-CG1 4.19Å; F98-V108 HydrophobicContact CG-CG1 4.34Å; T102-V108 HydrophobicContact CG2-CG2 4.19Å; G106-V108 PolarHBondContact O-N 2.71Å; V108-V110 PolarHBondContact O-N 3.38Å; V108-V110 VanDerWaalsContact O-N 3.09Å; V108-A113 HydrophobicContact CG1-CB 4.24Å
109N85.3Confident69.3Low63 Ų6388.1 Ų88.134%0.33744%0.443SS..  trans-77.795.4174.7-172.5-7.2000109.7R107 V111 E112 A113R107-N109 PolarHBondContact O-N 2.96Å; N109-V111 PolarHBondContact O-N 2.99Å; N109-V111 PolarHBondContact OD1-N 2.99Å; N109-E112 HydrophobicContact CB-CB 4.24Å; N109-E112 WeakPolarHBondContact CB-OE2 3.47Å; N109-E112 VanDerWaalsContact CG-OE2 3.32Å; N109-E112 PolarHBondContact ND2-OE1 3.4Å; N109-E112 PolarHBondContact ND2-OE2 2.94Å; N109-E112 PolarHBondContact O-N 2.84Å; N109-E112 VanDerWaalsContact O-N 3.16Å; N109-A113 WeakPolarHBondContact O-CB 3.34Å; N109-A113 PolarHBondContact O-N 2.65Å
110V87.8Confident71.1Confident33 Ų3388.8 Ų88.820%0.244%0.436CS..Hα-helixtrans-58.3-21.7-177.1-63.90000114.4V108 L114 R172 A175 L179V108-V110 PolarHBondContact O-N 3.38Å; V108-V110 VanDerWaalsContact O-N 3.09Å; V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 PolarHBondContact O-N 2.89Å; V110-R172 HydrophobicContact CG2-CB 4.21Å; V110-R172 HydrophobicContact CG2-CG 4.24Å; V110-A175 HydrophobicContact CG2-CB 4.13Å; V110-L179 HydrophobicContact CB-CD2 4.44Å
111V90.8Very high72.8Confident24 Ų2482.2 Ų82.215%0.14541%0.408CS..Hα-helixtrans-76.7-44.9178.2177.20000110.7N109 Q115 Y136 R171 R172 A175N109-V111 PolarHBondContact O-N 2.99Å; N109-V111 PolarHBondContact OD1-N 2.99Å; V111-Q115 PolarHBondContact O-N 3.45Å; V111-Y136 HydrophobicContact CG1-CE2 4.28Å; V111-R171 HydrophobicContact CG2-CG 4.3Å; V111-R172 HydrophobicContact CG2-CG 4.13Å; V111-A175 HydrophobicContact CG2-CB 3.88Å
112E90.2Very high74.7Confident115 Ų11578.8 Ų78.854%0.53739%0.392SS..Hα-helixtrans-68.2-49.4175.2-76.3158.8-17200110.4N109 L114 Q115 E116N109-E112 HydrophobicContact CB-CB 4.24Å; N109-E112 WeakPolarHBondContact CB-OE2 3.47Å; N109-E112 VanDerWaalsContact CG-OE2 3.32Å; N109-E112 PolarHBondContact ND2-OE1 3.4Å; N109-E112 PolarHBondContact ND2-OE2 2.94Å; N109-E112 PolarHBondContact O-N 2.84Å; N109-E112 VanDerWaalsContact O-N 3.16Å; E112-L114 PolarHBondContact O-N 3.38Å; E112-L114 VanDerWaalsContact O-N 3.13Å; E112-Q115 WeakPolarHBondContact O-CA 3.35Å; E112-Q115 PolarHBondContact O-N 3.38Å; E112-E116 WeakPolarHBondContact O-CG 3.47Å; E112-E116 PolarHBondContact O-N 2.81Å
113A88.3Confident76.7Confident6 Ų680.7 Ų80.75%0.0541%0.408CS..Hα-helixtrans-53.5-35.8177.100000113.6F98 V108 N109 F117 L179F98-A113 HydrophobicContact CD1-CB 4.33Å; F98-A113 HydrophobicContact CE1-CB 3.59Å; F98-A113 HydrophobicContact CZ-CB 4.08Å; V108-A113 HydrophobicContact CG1-CB 4.24Å; N109-A113 WeakPolarHBondContact O-CB 3.34Å; N109-A113 PolarHBondContact O-N 2.65Å; A113-F117 VanDerWaalsContact O-CB 3.3Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.41Å; A113-F117 VanDerWaalsContact O-N 3.07Å; A113-L179 HydrophobicContact CB-CD2 3.89Å
114L91.6Very high78.9Confident0 Ų080.3 Ų80.30%040%0.398CS..Hα-helixtrans-70.9-42.1174.3179.157.1000112.4V110 E112 F117 W118 V134 V150 L152 A175 A178 L179V110-L114 WeakPolarHBondContact O-CB 3.49Å; V110-L114 PolarHBondContact O-N 2.89Å; E112-L114 PolarHBondContact O-N 3.38Å; E112-L114 VanDerWaalsContact O-N 3.13Å; L114-F117 PolarHBondContact O-N 3Å; L114-W118 VanDerWaalsContact O-CD1 3.31Å; L114-W118 PolarHBondContact O-N 3.3Å; L114-V134 HydrophobicContact CD2-CG1 3.93Å; L114-V134 HydrophobicContact CG-CG1 4.2Å; L114-V134 HydrophobicContact CG-CG2 4.23Å; L114-V150 HydrophobicContact CD2-CG2 4.27Å; L114-L152 HydrophobicContact CD1-CD2 4.03Å; L114-L152 HydrophobicContact CD2-CD2 4.2Å; L114-L152 HydrophobicContact CG-CD2 4.47Å; L114-A175 HydrophobicContact CD2-CB 4.24Å; L114-A178 HydrophobicContact CD2-CB 3.72Å; L114-L179 HydrophobicContact CB-CB 4.33Å; L114-L179 HydrophobicContact CB-CD1 4.27Å; L114-L179 HydrophobicContact CD1-CB 4.22Å; L114-L179 HydrophobicContact CD1-CD1 4.16Å
115Q92.4Very high80.9Confident39 Ų3981.1 Ų81.118%0.18241%0.406CS..Hα-helixtrans-68.7-40.3178.2-173.354.284.900111.9V111 E112 W118 Q119 A132 V134V111-Q115 PolarHBondContact O-N 3.45Å; E112-Q115 WeakPolarHBondContact O-CA 3.35Å; E112-Q115 PolarHBondContact O-N 3.38Å; Q115-W118 PolarHBondContact O-N 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.35Å; Q115-Q119 VanDerWaalsContact O-CG 3.31Å; Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.15Å; Q115-A132 PolarHBondContact NE2-O 3.35Å; Q115-V134 VanDerWaalsContact OE1-N 3.11Å
116E89.4Confident83Confident109 Ų10970.4 Ų70.451%0.50937%0.371SS..Hα-helixtrans-61.6-43.9173.9-72.1176.7174.100111.8E112 W118 Q119 M120E112-E116 WeakPolarHBondContact O-CG 3.47Å; E112-E116 PolarHBondContact O-N 2.81Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.24Å; E116-Q119 PolarHBondContact O-N 3.35Å; E116-M120 WeakPolarHBondContact O-CB 3.46Å; E116-M120 PolarHBondContact O-N 3.03Å
117F88.7Confident84.6Confident22 Ų2274.3 Ų74.310%0.09638%0.378CS..Hα-helixtrans-57.2-47177.6173-88.6000111.9A113 L114 M120 K121 L179 S182 V183 E186A113-F117 VanDerWaalsContact O-CB 3.3Å; A113-F117 WeakPolarHBondContact O-CB 3.46Å; A113-F117 PolarHBondContact O-N 3.41Å; A113-F117 VanDerWaalsContact O-N 3.07Å; L114-F117 PolarHBondContact O-N 3Å; F117-M120 HydrophobicContact CD2-CE 4.06Å; F117-M120 HydrophobicContact CE2-CE 4.43Å; F117-M120 PolarHBondContact O-N 2.84Å; F117-K121 HydrophobicContact CE1-CD 4.39Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; F117-L179 HydrophobicContact CB-CD1 4.42Å; F117-S182 WeakPolarHBondContact CZ-O 3.49Å; F117-V183 HydrophobicContact CD2-CG2 3.76Å; F117-V183 HydrophobicContact CE2-CB 4.15Å; F117-V183 HydrophobicContact CE2-CG1 4.14Å; F117-V183 HydrophobicContact CE2-CG2 3.71Å; F117-V183 HydrophobicContact CG-CG2 4.39Å; F117-V183 HydrophobicContact CZ-CG2 4.33Å; F117-E186 HydrophobicContact CE2-CG 4.18Å; F117-E186 HydrophobicContact CZ-CG 3.62Å
118W89.9Confident85.7Confident3 Ų363.6 Ų63.61%0.01134%0.339CS..Hα-helixtrans-71.6-33.9179.7-78101000112.9L114 Q115 E116 K121 Q122 L128 A132 V134 L152 P153 S182 L238L114-W118 VanDerWaalsContact O-CD1 3.31Å; L114-W118 PolarHBondContact O-N 3.3Å; Q115-W118 PolarHBondContact O-N 3.29Å; E116-W118 VanDerWaalsContact C-N 3.35Å; E116-W118 PolarHBondContact O-N 3.24Å; W118-K121 HydrophobicContact CE3-CD 3.93Å; W118-K121 HydrophobicContact CH2-CD 4.39Å; W118-K121 HydrophobicContact CZ3-CD 3.75Å; W118-K121 PolarHBondContact O-N 3.45Å; W118-Q122 PolarHBondContact O-N 2.99Å; W118-L128 HydrophobicContact CE3-CD1 4.11Å; W118-L128 HydrophobicContact CE3-CD2 4.36Å; W118-L128 HydrophobicContact CZ3-CD2 3.99Å; W118-A132 HydrophobicContact CB-CB 4.27Å; W118-A132 WeakPolarHBondContact O-CB 3.21Å; W118-V134 HydrophobicContact CB-CG2 4.22Å; W118-V134 HydrophobicContact CG-CG2 4.1Å; W118-L152 HydrophobicContact CZ2-CB 4.03Å; W118-L152 HydrophobicContact CZ2-CD1 4Å; W118-L152 HydrophobicContact CZ2-CG 4.46Å; W118-P153 HydrophobicContact CB-CG 4.32Å; W118-P153 HydrophobicContact CD2-CB 4.31Å; W118-P153 HydrophobicContact CD2-CG 3.84Å; W118-P153 HydrophobicContact CE3-CB 3.68Å; W118-P153 HydrophobicContact CE3-CG 3.66Å; W118-P153 HydrophobicContact CG-CG 4.11Å; W118-P153 VanDerWaalsContact CH2-O 3.31Å; W118-P153 WeakPolarHBondContact CH2-O 3.32Å; W118-P153 HydrophobicContact CZ3-CB 3.78Å; W118-P153 HydrophobicContact CZ3-CG 4.24Å; W118-S182 PolarHBondContact NE1-OG 3.27Å; W118-L238 HydrophobicContact CH2-CD2 3.72Å; W118-L238 HydrophobicContact CZ2-CD2 4.27Å
119Q89.9Confident85.8Confident104 Ų10470 Ų7049%0.48636%0.357SS..Hα-helixtrans-64.7-45.5172.1-75.8170.6-6.500111.9Q115 E116 K121 Q122 S123 A132Q115-Q119 WeakPolarHBondContact O-CB 3.35Å; Q115-Q119 VanDerWaalsContact O-CG 3.31Å; Q115-Q119 WeakPolarHBondContact O-CG 3.47Å; Q115-Q119 PolarHBondContact O-N 3.15Å; E116-Q119 PolarHBondContact O-N 3.35Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.45Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q119-S123 PolarHBondContact O-N 3.2Å; Q119-A132 HydrophobicContact CG-CB 4.11Å
120M87Confident85.1Confident76 Ų7674.4 Ų74.437%0.37438%0.381SS..Hα-helixtrans-60.7-37.5173.6178.5-167.363.300111.6E116 F117 S123 R124E116-M120 WeakPolarHBondContact O-CB 3.46Å; E116-M120 PolarHBondContact O-N 3.03Å; F117-M120 HydrophobicContact CD2-CE 4.06Å; F117-M120 HydrophobicContact CE2-CE 4.43Å; F117-M120 PolarHBondContact O-N 2.84Å; M120-S123 PolarHBondContact O-N 3.03Å; M120-S123 PolarHBondContact O-OG 3.47Å; M120-S123 VanDerWaalsContact O-OG 3.07Å; M120-R124 VanDerWaalsContact O-CG 3.26Å; M120-R124 WeakPolarHBondContact O-CG 3.5Å; M120-R124 PolarHBondContact O-N 3.09Å; M120-R124 PolarHBondContact SD-NH2 2.81Å; M120-R124 VanDerWaalsContact SD-NH2 3.37Å
121K84.8Confident84.7Confident36 Ų3673.7 Ų73.716%0.15738%0.381CS..Hα-helixtrans-64.9-43.1175.6-178.6164.6174.1171.80111.4F117 W118 Q119 R124 A126 E186F117-K121 HydrophobicContact CE1-CD 4.39Å; F117-K121 WeakPolarHBondContact O-CB 3.4Å; F117-K121 PolarHBondContact O-N 2.94Å; W118-K121 HydrophobicContact CE3-CD 3.93Å; W118-K121 HydrophobicContact CH2-CD 4.39Å; W118-K121 HydrophobicContact CZ3-CD 3.75Å; W118-K121 PolarHBondContact O-N 3.45Å; Q119-K121 VanDerWaalsContact C-N 3.28Å; Q119-K121 PolarHBondContact O-N 3.45Å; K121-R124 PolarHBondContact O-N 2.79Å; K121-A126 HydrophobicContact CG-CB 3.59Å; K121-A126 VanDerWaalsContact O-CB 3.24Å; K121-A126 WeakPolarHBondContact O-CB 3.32Å; K121-A126 PolarHBondContact O-N 2.99Å; K121-E186 VanDerWaalsContact CE-OE1 3.27Å; K121-E186 WeakPolarHBondContact CE-OE1 3.46Å; K121-E186 IonicContact NZ-OE1 3.86Å; K121-E186 PolarHBondContact NZ-OE1 3.44Å
122Q86.9Confident84.4Confident91 Ų9172.9 Ų72.943%0.42538%0.376SS..Hα-helixtrans-64.3-43.5173.9-167.4178.216.600112.4W118 Q119 R124 G125 L128 A132W118-Q122 PolarHBondContact O-N 2.99Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q122-R124 PolarHBondContact O-N 3.07Å; Q122-R124 VanDerWaalsContact O-N 3.15Å; Q122-G125 PolarHBondContact O-N 3.41Å; Q122-L128 HydrophobicContact CB-CD1 3.91Å; Q122-L128 HydrophobicContact CG-CD1 4.32Å; Q122-A132 HydrophobicContact CB-CB 3.97Å
123S86.7Confident84.3Confident100 Ų10073 Ų7370%0.69938%0.38SS*.Hα-helixtrans-66.7-15.6179.378.60000113.6Q119 M120 G125Q119-S123 PolarHBondContact O-N 3.2Å; M120-S123 PolarHBondContact O-N 3.03Å; M120-S123 PolarHBondContact O-OG 3.47Å; M120-S123 VanDerWaalsContact O-OG 3.07Å; S123-G125 VanDerWaalsContact C-N 3.33Å
124R86.5Confident84.6Confident191 Ų19173 Ų7372%0.72138%0.38SS*.THydrogen-bonded Turntrans-88.86.2171.4-70.7172.5-178.5-162.41.7113.5M120 K121 Q122M120-R124 VanDerWaalsContact O-CG 3.26Å; M120-R124 WeakPolarHBondContact O-CG 3.5Å; M120-R124 PolarHBondContact O-N 3.09Å; M120-R124 PolarHBondContact SD-NH2 2.81Å; M120-R124 VanDerWaalsContact SD-NH2 3.37Å; K121-R124 PolarHBondContact O-N 2.79Å; Q122-R124 PolarHBondContact O-N 3.07Å; Q122-R124 VanDerWaalsContact O-N 3.15Å
125G81.1Confident84.8Confident69 Ų6976.8 Ų76.871%0.71140%0.402SS*.THydrogen-bonded Turntrans86.421176.600000115Q122 S123 D127Q122-G125 PolarHBondContact O-N 3.41Å; S123-G125 VanDerWaalsContact C-N 3.33Å; G125-D127 PolarHBondContact O-N 3.05Å
126A80.8Confident85Confident31 Ų3177 Ų7726%0.25640%0.402SS..  trans-66.5129.3169.700000110.7K121 L128K121-A126 HydrophobicContact CG-CB 3.59Å; K121-A126 VanDerWaalsContact O-CB 3.24Å; K121-A126 WeakPolarHBondContact O-CB 3.32Å; K121-A126 PolarHBondContact O-N 2.99Å; A126-L128 HydrophobicContact CB-CD2 4.34Å; A126-L128 HydrophobicContact CB-CG 4.33Å; A126-L128 PolarHBondContact O-N 3.15Å
127D76.5Confident85.3Confident139 Ų13975.5 Ų75.574%0.74340%0.395SS*.  trans-71.797.6174.6-177.718.4000110.2G125G125-D127 PolarHBondContact O-N 3.05Å
128L80.4Confident85.7Confident26 Ų2677.5 Ų77.514%0.13641%0.405CS..  trans-111.194.8176-55.8-175.5000108.2W118 Q122 A126 N130 G131 A132 P153W118-L128 HydrophobicContact CE3-CD1 4.11Å; W118-L128 HydrophobicContact CE3-CD2 4.36Å; W118-L128 HydrophobicContact CZ3-CD2 3.99Å; Q122-L128 HydrophobicContact CB-CD1 3.91Å; Q122-L128 HydrophobicContact CG-CD1 4.32Å; A126-L128 HydrophobicContact CB-CD2 4.34Å; A126-L128 HydrophobicContact CB-CG 4.33Å; A126-L128 PolarHBondContact O-N 3.15Å; L128-N130 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3.2Å; L128-A132 HydrophobicContact CD1-CB 4.12Å; L128-P153 HydrophobicContact CD1-CB 3.99Å; L128-P153 HydrophobicContact CD1-CG 4.42Å; L128-P153 HydrophobicContact CD2-CB 4.01Å; L128-P153 HydrophobicContact CG-CB 4.42Å
129R67.4Low85.9Confident193 Ų19379.9 Ų79.973%0.72842%0.42SS*.THydrogen-bonded Turntrans-48.7-35.9-177.2-68.1-173.7176.2-171.60.1114.3
130N69.6Low86.1Confident155 Ų15581 Ų8183%0.82944%0.436SS*.THydrogen-bonded Turntrans-107.517.3-179.7-60.5-3.5000112.9L128L128-N130 PolarHBondContact O-N 3.4Å
131G79.6Confident86.4Confident19 Ų1979.3 Ų79.320%0.19643%0.432CS..THydrogen-bonded Turntrans71.9-175.3-175.300000114.7L128 L133 P153L128-G131 PolarHBondContact O-N 3.2Å; G131-L133 PolarHBondContact O-N 3.48Å; G131-P153 WeakPolarHBondContact O-CB 3.32Å
132A84.6Confident86.9Confident7 Ų784.7 Ų84.76%0.05846%0.462CS..THydrogen-bonded Turntrans-7911.5-179.300000115.7Q115 W118 Q119 Q122 L128 V134Q115-A132 PolarHBondContact NE2-O 3.35Å; W118-A132 HydrophobicContact CB-CB 4.27Å; W118-A132 WeakPolarHBondContact O-CB 3.21Å; Q119-A132 HydrophobicContact CG-CB 4.11Å; Q122-A132 HydrophobicContact CB-CB 3.97Å; L128-A132 HydrophobicContact CD1-CB 4.12Å; A132-V134 PolarHBondContact O-N 2.88Å
133L89.3Confident87.2Confident117 Ų11785.8 Ų85.861%0.61347%0.471SS*.  trans-71.6124.8-171.5-175.961.8000111.5G131 V135G131-L133 PolarHBondContact O-N 3.48Å; L133-V135 HydrophobicContact CD2-CG2 4.42Å; L133-V135 HydrophobicContact CG-CG2 4.34Å
134V93.5Very high87.5Confident7 Ų784 Ų844%0.04246%0.458CS..  trans-94112.9172.91790000108.7L114 Q115 W118 A132 Y136 V150 L152L114-V134 HydrophobicContact CD2-CG1 3.93Å; L114-V134 HydrophobicContact CG-CG1 4.2Å; L114-V134 HydrophobicContact CG-CG2 4.23Å; Q115-V134 VanDerWaalsContact OE1-N 3.11Å; W118-V134 HydrophobicContact CB-CG2 4.22Å; W118-V134 HydrophobicContact CG-CG2 4.1Å; A132-V134 PolarHBondContact O-N 2.88Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD2 4.38Å; V134-Y136 HydrophobicContact CG1-CE2 3.69Å; V134-Y136 WeakPolarHBondContact O-CD2 3.34Å; V134-V150 HydrophobicContact CG1-CG2 3.36Å; V134-L152 HydrophobicContact CG1-CD2 4.1Å; V134-L152 HydrophobicContact CG2-CD2 4.35Å
135V95.1Very high87.9Confident78 Ų7878.3 Ų78.347%0.47345%0.445SS..EExtended strand (participates in β ladder)trans-89.8135.2-175.1-178.80000109.8L133 V150 S151L133-V135 HydrophobicContact CD2-CG2 4.42Å; L133-V135 HydrophobicContact CG-CG2 4.34Å; V135-V150 CarbonylContact O-C 3.52Å; V135-V150 VanDerWaalsContact O-CA 3.28Å; V135-V150 WeakPolarHBondContact O-CA 3.41Å; V135-S151 PolarHBondContact N-O 3.44Å; V135-S151 PolarHBondContact O-N 3.19Å
136Y96.5Very high88.6Confident43 Ų4376.8 Ų76.817%0.16942%0.418CS..EExtended strand (participates in β ladder)trans-118.5123.8177-68.9-91.9000110.2V111 V134 Y149 V150 R171 A175V111-Y136 HydrophobicContact CG1-CE2 4.28Å; V134-Y136 HydrophobicContact CB-CE2 4.3Å; V134-Y136 HydrophobicContact CG1-CD2 4.38Å; V134-Y136 HydrophobicContact CG1-CE2 3.69Å; V134-Y136 WeakPolarHBondContact O-CD2 3.34Å; Y136-Y149 WeakPolarHBondContact CA-O 3.36Å; Y136-V150 HydrophobicContact CD1-CB 3.91Å; Y136-V150 HydrophobicContact CD1-CG2 3.83Å; Y136-V150 HydrophobicContact CE1-CB 3.93Å; Y136-V150 HydrophobicContact CE1-CG2 3.56Å; Y136-V150 HydrophobicContact CE2-CG2 4.34Å; Y136-V150 HydrophobicContact CG-CG2 4.35Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CE1-CG 3.74Å; Y136-R171 HydrophobicContact CG-CG 4.23Å; Y136-A175 HydrophobicContact CE1-CB 4.09Å
137E96.5Very high89.4Confident79 Ų7976.2 Ų76.237%0.36941%0.411SS..EExtended strand (participates in β ladder)trans-110.9117.8178.6-176.6-171.7134.300108.5C148 Y149 K326E137-C148 CarbonylContact O-C 3.12Å; E137-C148 WeakPolarHBondContact O-CA 3.31Å; E137-Y149 PolarHBondContact N-O 3.01Å; E137-Y149 PolarHBondContact O-N 2.98Å; E137-K326 IonicContact OE1-NZ 2.82Å; E137-K326 PolarHBondContact OE1-NZ 3.32Å; E137-K326 WeakPolarHBondContact OE2-CE 3.41Å; E137-K326 IonicContact OE2-NZ 2.61Å; E137-K326 PolarHBondContact OE2-NZ 3.45Å
138M96.3Very high90.4Very high64 Ų6469.6 Ų69.632%0.31538%0.376SS..EExtended strand (participates in β ladder)trans-94.5123.6174.9-75.6-63.1-41.300109.2P140 V147 C148 K167 A170M138-P140 WeakPolarHBondContact O-CD 3.46Å; M138-V147 WeakPolarHBondContact CE-O 3.48Å; M138-C148 HydrophobicContact CE-CB 4.33Å; M138-C148 HydrophobicContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-SG 3.64Å; M138-K167 HydrophobicContact CE-CB 3.82Å; M138-K167 HydrophobicContact CE-CD 4.36Å; M138-K167 HydrophobicContact CE-CG 3.85Å; M138-K167 HydrophobicContact SD-CB 4.45Å; M138-A170 HydrophobicContact CE-CB 4.22Å
139V95.3Very high91.3Very high52 Ų5269.3 Ų69.332%0.31537%0.373SS..  trans-64129173.2179.30000109.1S141 V147 Y149V139-S141 PolarHBondContact O-N 2.94Å; V139-S141 VanDerWaalsContact O-N 3.11Å; V139-V147 HydrophobicContact CB-CB 4.05Å; V139-V147 HydrophobicContact CG2-CB 3.74Å; V139-V147 HydrophobicContact CG2-CG1 3.73Å; V139-V147 PolarHBondContact N-O 3.42Å; V139-Y149 HydrophobicContact CG2-CD2 4.07Å; V139-Y149 HydrophobicContact CG2-CE2 3.54Å
140P94.4Very high92.7Very high127 Ų12760.1 Ų60.183%0.82534%0.338SS*.  trans-60.5114.7176.8-24.835.1000111.4M138M138-P140 WeakPolarHBondContact O-CD 3.46Å
141S93.7Very high93.8Very high42 Ų4254.4 Ų54.429%0.29431%0.311SS..  trans-151.9148.9169.3-175.80000110.6V139 N143V139-S141 PolarHBondContact O-N 2.94Å; V139-S141 VanDerWaalsContact O-N 3.11Å; S141-N143 PolarHBondContact OG-N 3.13Å; S141-N143 VanDerWaalsContact OG-N 3.13Å; S141-N143 PolarHBondContact OG-O 3.13Å
142N93.8Very high94.4Very high148 Ų14853.9 Ų53.979%0.79130%0.303SS*.SBendtrans-93.6-17.4172.2-66.5-25.3000112.5Y146N142-Y146 PolarHBondContact O-OH 3.34Å
143N94.4Very high94.5Very high115 Ų11554 Ų5462%0.61530%0.304SS*.SBendtrans-130.7153.4-175-69.5-47.5000111.4S141S141-N143 PolarHBondContact OG-N 3.13Å; S141-N143 VanDerWaalsContact OG-N 3.13Å; S141-N143 PolarHBondContact OG-O 3.13Å
144P92.1Very high94.2Very high63 Ų6350.6 Ų50.641%0.40930%0.297SS..SBendtrans-68.2157.3171.930.8-35.9000111.8Y146 F163P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE2 4.09Å; P144-F163 HydrophobicContact CB-CZ 4.2Å
145P94.4Very high93.8Very high71 Ų7151.4 Ų51.446%0.46131%0.306SS..SBendcis-73.6135.80.729.6-34000112.6F163P145-F163 HydrophobicContact CB-CD2 3.8Å; P145-F163 HydrophobicContact CB-CE2 3.89Å; P145-F163 HydrophobicContact CG-CD2 4.42Å; P145-F163 HydrophobicContact CG-CE2 4.38Å
146Y97.2Very high93.6Very high36 Ų3647.7 Ų47.714%0.14128%0.284CS..PPolyproline II helixtrans-83.7138.6171.6-63.9-75.8000110.5N142 P144 C164 P165 T166 K167 A170N142-Y146 PolarHBondContact O-OH 3.34Å; P144-Y146 HydrophobicContact CB-CD2 4.18Å; P144-Y146 HydrophobicContact CB-CE2 4.09Å; Y146-C164 PolarHBondContact N-O 3.47Å; Y146-C164 WeakPolarHBondContact O-CB 3.42Å; Y146-P165 WeakPolarHBondContact CD2-O 3.23Å; Y146-P165 VanDerWaalsContact CE2-O 3.26Å; Y146-P165 WeakPolarHBondContact CE2-O 3.24Å; Y146-T166 VanDerWaalsContact CD2-C 3.48Å; Y146-K167 HydrophobicContact CD1-CD 4.27Å; Y146-K167 HydrophobicContact CD1-CG 3.5Å; Y146-K167 VanDerWaalsContact CD1-CG 3.5Å; Y146-K167 HydrophobicContact CD2-CG 4.31Å; Y146-K167 HydrophobicContact CE1-CD 4.28Å; Y146-K167 VanDerWaalsContact CE1-CE 3.44Å; Y146-K167 HydrophobicContact CE1-CG 3.79Å; Y146-K167 HydrophobicContact CG-CG 3.77Å; Y146-A170 WeakPolarHBondContact O-CB 3.45Å
147V97.3Very high93.5Very high19 Ų1945.8 Ų45.812%0.11528%0.277CS..  trans-115.3135.3176.7176.90000110M138 V139 Y149 S160M138-V147 WeakPolarHBondContact CE-O 3.48Å; V139-V147 HydrophobicContact CB-CB 4.05Å; V139-V147 HydrophobicContact CG2-CB 3.74Å; V139-V147 HydrophobicContact CG2-CG1 3.73Å; V139-V147 PolarHBondContact N-O 3.42Å; V147-Y149 HydrophobicContact CG1-CE1 4.2Å; V147-Y149 HydrophobicContact CG1-CE2 4.02Å; V147-S160 WeakPolarHBondContact CA-OG 3.44Å
148C97.6Very high93.4Very high0 Ų042.2 Ų42.20%026%0.26CS..EExtended strand (participates in β ladder)trans-126.9132.3172.4-172.90000109.1E137 M138 G159 S160 A170 A174E137-C148 CarbonylContact O-C 3.12Å; E137-C148 WeakPolarHBondContact O-CA 3.31Å; M138-C148 HydrophobicContact CE-CB 4.33Å; M138-C148 HydrophobicContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-CB 3.53Å; M138-C148 VanDerWaalsContact SD-SG 3.64Å; C148-G159 CarbonylContact O-C 3.25Å; C148-G159 VanDerWaalsContact O-CA 3.31Å; C148-G159 WeakPolarHBondContact O-CA 3.33Å; C148-S160 PolarHBondContact N-OG 2.83Å; C148-S160 PolarHBondContact O-N 3.46Å; C148-S160 PolarHBondContact O-OG 3.39Å; C148-A170 HydrophobicContact CB-CB 3.82Å; C148-A174 HydrophobicContact CB-CB 4.26Å; C148-A174 WeakPolarHBondContact O-CB 3.44Å
149Y97.8Very high93.4Very high20 Ų2039.3 Ų39.38%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-99.4152.2164.5-57.6-68.7000109.9Y136 E137 V139 V147 F158 L312 R316 L322Y136-Y149 WeakPolarHBondContact CA-O 3.36Å; E137-Y149 PolarHBondContact N-O 3.01Å; E137-Y149 PolarHBondContact O-N 2.98Å; V139-Y149 HydrophobicContact CG2-CD2 4.07Å; V139-Y149 HydrophobicContact CG2-CE2 3.54Å; V147-Y149 HydrophobicContact CG1-CE1 4.2Å; V147-Y149 HydrophobicContact CG1-CE2 4.02Å; Y149-F158 CarbonylContact C-O 3.2Å; Y149-F158 WeakPolarHBondContact CA-O 3.33Å; Y149-L312 HydrophobicContact CE1-CD1 4.41Å; Y149-R316 HydrophobicContact CE1-CG 4.27Å; Y149-L322 HydrophobicContact CD1-CD1 3.75Å; Y149-L322 HydrophobicContact CE1-CD1 3.73Å
150V96.8Very high93.4Very high0 Ų036.8 Ų36.80%023%0.232CC..EExtended strand (participates in β ladder)trans-134.1123.117562.10000109.2L114 V134 V135 Y136 C157 F158 A174 A178L114-V150 HydrophobicContact CD2-CG2 4.27Å; V134-V150 HydrophobicContact CG1-CG2 3.36Å; V135-V150 CarbonylContact O-C 3.52Å; V135-V150 VanDerWaalsContact O-CA 3.28Å; V135-V150 WeakPolarHBondContact O-CA 3.41Å; Y136-V150 HydrophobicContact CD1-CB 3.91Å; Y136-V150 HydrophobicContact CD1-CG2 3.83Å; Y136-V150 HydrophobicContact CE1-CB 3.93Å; Y136-V150 HydrophobicContact CE1-CG2 3.56Å; Y136-V150 HydrophobicContact CE2-CG2 4.34Å; Y136-V150 HydrophobicContact CG-CG2 4.35Å; V150-C157 WeakPolarHBondContact O-CA 3.46Å; V150-F158 HydrophobicContact CG1-CB 4.04Å; V150-F158 PolarHBondContact N-O 3.07Å; V150-F158 PolarHBondContact O-N 3.32Å; V150-A174 HydrophobicContact CB-CB 4.23Å; V150-A174 HydrophobicContact CG1-CB 3.83Å; V150-A178 HydrophobicContact CG1-CB 3.46Å; V150-A178 VanDerWaalsContact CG1-CB 3.46Å; V150-A178 HydrophobicContact CG2-CB 4.49Å
151S94.3Very high93.1Very high36 Ų3633.5 Ų33.525%0.25221%0.205SC..EExtended strand (participates in β ladder)trans-105.4128.3177.6-580000109.3V135V135-S151 PolarHBondContact N-O 3.44Å; V135-S151 PolarHBondContact O-N 3.19Å
152L91.6Very high92.9Very high7 Ų736.1 Ų36.14%0.03721%0.212CC..  trans-92.2156.5-178.8-60.7-177.6000111.3L114 W118 V134 G154 G155 S156 F158 A178 S182L114-L152 HydrophobicContact CD1-CD2 4.03Å; L114-L152 HydrophobicContact CD2-CD2 4.2Å; L114-L152 HydrophobicContact CG-CD2 4.47Å; W118-L152 HydrophobicContact CZ2-CB 4.03Å; W118-L152 HydrophobicContact CZ2-CD1 4Å; W118-L152 HydrophobicContact CZ2-CG 4.46Å; V134-L152 HydrophobicContact CG1-CD2 4.1Å; V134-L152 HydrophobicContact CG2-CD2 4.35Å; L152-G154 PolarHBondContact O-N 2.78Å; L152-G155 WeakPolarHBondContact O-CA 3.48Å; L152-G155 PolarHBondContact O-N 2.96Å; L152-S156 PolarHBondContact N-O 2.87Å; L152-F158 HydrophobicContact CD1-CD2 4.11Å; L152-F158 HydrophobicContact CD1-CE2 3.76Å; L152-A178 HydrophobicContact CD1-CB 4.38Å; L152-A178 HydrophobicContact CD2-CB 4.08Å; L152-A178 HydrophobicContact CG-CB 4.47Å; L152-S182 WeakPolarHBondContact CD1-OG 3.31Å
153P87.6Confident92.8Very high10 Ų1035.5 Ų35.57%0.06520%0.203CC..THydrogen-bonded Turntrans-52.8132.7163.2-24.634.5000111W118 L128 G131W118-P153 HydrophobicContact CB-CG 4.32Å; W118-P153 HydrophobicContact CD2-CB 4.31Å; W118-P153 HydrophobicContact CD2-CG 3.84Å; W118-P153 HydrophobicContact CE3-CB 3.68Å; W118-P153 HydrophobicContact CE3-CG 3.66Å; W118-P153 HydrophobicContact CG-CG 4.11Å; W118-P153 VanDerWaalsContact CH2-O 3.31Å; W118-P153 WeakPolarHBondContact CH2-O 3.32Å; W118-P153 HydrophobicContact CZ3-CB 3.78Å; W118-P153 HydrophobicContact CZ3-CG 4.24Å; L128-P153 HydrophobicContact CD1-CB 3.99Å; L128-P153 HydrophobicContact CD1-CG 4.42Å; L128-P153 HydrophobicContact CD2-CB 4.01Å; L128-P153 HydrophobicContact CG-CB 4.42Å; G131-P153 WeakPolarHBondContact O-CB 3.32Å
154G81.3Confident92.8Very high45 Ų4530 Ų3046%0.46417%0.173SC..THydrogen-bonded Turntrans88.9-3.9-168.400000114.6L152 R323L152-G154 PolarHBondContact O-N 2.78Å; G154-R323 PolarHBondContact O-NH1 3.32Å
155G86.5Confident92.9Very high24 Ų2429.8 Ų29.825%0.24717%0.171CC..SBendtrans94.1-8.1163.400000116.8L152 R323L152-G155 WeakPolarHBondContact O-CA 3.48Å; L152-G155 PolarHBondContact O-N 2.96Å; G155-R323 WeakPolarHBondContact O-CD 3.43Å; G155-R323 WeakPolarHBondContact O-CG 3.33Å
156S89.6Confident93Very high1 Ų129 Ų291%0.00717%0.166CC..  trans-60.6138.5174.9-58.20000111.7L152 L238 E321L152-S156 PolarHBondContact N-O 2.87Å; S156-L238 WeakPolarHBondContact OG-CD1 3.3Å; S156-E321 WeakPolarHBondContact CA-OE1 3.34Å
157C94.6Very high93Very high3 Ų332.3 Ų32.32%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-123.8138.6-174.1-175.90000111V150 E321 L322 R323V150-C157 WeakPolarHBondContact O-CA 3.46Å; C157-E321 PolarHBondContact N-OE1 3.04Å; C157-L322 HydrophobicContact CB-CB 4.26Å; C157-L322 PolarHBondContact O-N 3.22Å; C157-R323 HydrophobicContact CB-CB 4.29Å
158F95.6Very high92.9Very high3 Ų334.3 Ų34.31%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-134160.1175.2-59.9-79.8000110Y149 V150 L152 I177 A178 N181 E321Y149-F158 CarbonylContact C-O 3.2Å; Y149-F158 WeakPolarHBondContact CA-O 3.33Å; V150-F158 HydrophobicContact CG1-CB 4.04Å; V150-F158 PolarHBondContact N-O 3.07Å; V150-F158 PolarHBondContact O-N 3.32Å; L152-F158 HydrophobicContact CD1-CD2 4.11Å; L152-F158 HydrophobicContact CD1-CE2 3.76Å; F158-I177 HydrophobicContact CB-CG2 3.96Å; F158-I177 HydrophobicContact CD1-CG2 3.47Å; F158-I177 VanDerWaalsContact CD1-CG2 3.47Å; F158-I177 HydrophobicContact CE1-CG2 4.19Å; F158-I177 HydrophobicContact CG-CG2 3.83Å; F158-A178 HydrophobicContact CB-CB 4.24Å; F158-A178 HydrophobicContact CD2-CB 3.79Å; F158-A178 HydrophobicContact CG-CB 4.3Å; F158-N181 HydrophobicContact CE1-CB 4.11Å; F158-N181 HydrophobicContact CE2-CB 3.94Å; F158-N181 HydrophobicContact CZ-CB 3.52Å; F158-E321 HydrophobicContact CE1-CB 4.22Å; F158-E321 HydrophobicContact CE1-CG 4.3Å; F158-E321 HydrophobicContact CZ-CG 4.29Å
159G96.2Very high92.6Very high3 Ų337.1 Ų37.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-125162.4178.800000112.9C148 F161C148-G159 CarbonylContact O-C 3.25Å; C148-G159 VanDerWaalsContact O-CA 3.31Å; C148-G159 WeakPolarHBondContact O-CA 3.33Å; G159-F161 PolarHBondContact O-N 3.14Å
160S93.7Very high92.5Very high0 Ų036.1 Ų36.10%021%0.208CC..  trans-54.8128.4157.652.20000108.5V147 C148 A170 S173 R316V147-S160 WeakPolarHBondContact CA-OG 3.44Å; C148-S160 PolarHBondContact N-OG 2.83Å; C148-S160 PolarHBondContact O-N 3.46Å; C148-S160 PolarHBondContact O-OG 3.39Å; S160-A170 WeakPolarHBondContact CB-O 3.25Å; S160-S173 WeakPolarHBondContact CA-OG 3.36Å; S160-R316 WeakPolarHBondContact O-CD 3.4Å; S160-R316 WeakPolarHBondContact O-CG 3.46Å; S160-R316 PolarHBondContact O-NH1 3.06Å
161F90Very high92.5Very high58 Ų5841.3 Ų41.325%0.25423%0.228SC..  trans-112.4-4.4-168.463.4-81.7000113.7G159 S173 I177 R316G159-F161 PolarHBondContact O-N 3.14Å; F161-S173 WeakPolarHBondContact CD1-OG 3.22Å; F161-S173 WeakPolarHBondContact CE1-OG 3.49Å; F161-S173 PolarHBondContact N-OG 2.91Å; F161-I177 HydrophobicContact CB-CD1 3.76Å; F161-I177 HydrophobicContact CD1-CD1 3.17Å; F161-I177 HydrophobicContact CD1-CG1 3.58Å; F161-I177 HydrophobicContact CD2-CD1 4.32Å; F161-I177 HydrophobicContact CE1-CD1 3.79Å; F161-I177 HydrophobicContact CE1-CG1 3.73Å; F161-I177 HydrophobicContact CG-CD1 3.49Å; F161-I177 VanDerWaalsContact CG-CD1 3.49Å; F161-I177 HydrophobicContact CG-CG1 4.36Å; F161-R316 WeakPolarHBondContact CA-O 3.5Å; F161-R316 WeakPolarHBondContact CB-O 3.47Å
162Q88.5Confident92.5Very high96 Ų9645.3 Ų45.345%0.44924%0.238SC..SBendtrans-126.6166.7-176.754.3171.38700110.5C164Q162-C164 PolarHBondContact O-N 2.86Å; Q162-C164 PolarHBondContact O-SG 3.34Å
163F91.4Very high92.5Very high136 Ų13645.4 Ų45.460%0.59624%0.239SC*.  trans-58124.6170.5-176.3-90.2000110.3P144 P145 P165P144-F163 HydrophobicContact CB-CZ 4.2Å; P145-F163 HydrophobicContact CB-CD2 3.8Å; P145-F163 HydrophobicContact CB-CE2 3.89Å; P145-F163 HydrophobicContact CG-CD2 4.42Å; P145-F163 HydrophobicContact CG-CE2 4.38Å; F163-P165 HydrophobicContact CE1-CB 4.09Å
164C94.1Very high92.8Very high0 Ų044.9 Ų44.90%024%0.235CC..  trans-123.7105.6-177.7-67.10000110Y146 Q162 T166 E169 A170Y146-C164 PolarHBondContact N-O 3.47Å; Y146-C164 WeakPolarHBondContact O-CB 3.42Å; Q162-C164 PolarHBondContact O-N 2.86Å; Q162-C164 PolarHBondContact O-SG 3.34Å; C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 3.42Å; C164-E169 HydrophobicContact CB-CB 4.22Å; C164-A170 HydrophobicContact CB-CB 3.9Å
165P95.7Very high93.4Very high57 Ų5742.8 Ų42.837%0.3721%0.213SC..SBendtrans-72.8-13.1-179.128.8-35.2000113.8Y146 F163 E169Y146-P165 WeakPolarHBondContact CD2-O 3.23Å; Y146-P165 VanDerWaalsContact CE2-O 3.26Å; Y146-P165 WeakPolarHBondContact CE2-O 3.24Å; F163-P165 HydrophobicContact CE1-CB 4.09Å; P165-E169 VanDerWaalsContact CD-OE2 3.31Å; P165-E169 WeakPolarHBondContact CD-OE2 3.26Å; P165-E169 WeakPolarHBondContact CG-OE2 3.47Å
166T96.6Very high93.6Very high56 Ų5646.6 Ų46.634%0.34422%0.223SC..SBendtrans-133.4151.7176.768.80000112.3Y146 C164 A168 E169 A170Y146-T166 VanDerWaalsContact CD2-C 3.48Å; C164-T166 VanDerWaalsContact C-N 3.25Å; C164-T166 PolarHBondContact O-N 3.42Å; T166-A168 PolarHBondContact O-N 2.68Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.28Å; T166-E169 PolarHBondContact O-N 3.21Å; T166-E169 VanDerWaalsContact O-N 3.07Å; T166-E169 WeakPolarHBondContact OG1-CB 3.03Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.41Å; T166-E169 PolarHBondContact OG1-N 3.25Å; T166-E169 PolarHBondContact OG1-OE1 3.32Å; T166-A170 PolarHBondContact O-N 2.89Å
167K96Very high93.5Very high105 Ų10547.4 Ų47.446%0.45723%0.227SC..Hα-helixtrans-57.7-35.4174.6-63.1-173.4178.7-179.30112.1M138 Y146 A170 R171M138-K167 HydrophobicContact CE-CB 3.82Å; M138-K167 HydrophobicContact CE-CD 4.36Å; M138-K167 HydrophobicContact CE-CG 3.85Å; M138-K167 HydrophobicContact SD-CB 4.45Å; Y146-K167 HydrophobicContact CD1-CD 4.27Å; Y146-K167 HydrophobicContact CD1-CG 3.5Å; Y146-K167 VanDerWaalsContact CD1-CG 3.5Å; Y146-K167 HydrophobicContact CD2-CG 4.31Å; Y146-K167 HydrophobicContact CE1-CD 4.28Å; Y146-K167 VanDerWaalsContact CE1-CE 3.44Å; Y146-K167 HydrophobicContact CE1-CG 3.79Å; Y146-K167 HydrophobicContact CG-CG 3.77Å; K167-A170 PolarHBondContact O-N 2.77Å; K167-R171 PolarHBondContact O-N 3.4Å
168A94.9Very high93.4Very high60 Ų6047.2 Ų47.250%0.49623%0.226SC..Hα-helixtrans-68-32.5176.500000113.1T166 R172T166-A168 PolarHBondContact O-N 2.68Å; A168-R172 WeakPolarHBondContact O-CB 3.36Å; A168-R172 WeakPolarHBondContact O-CG 3.5Å; A168-R172 PolarHBondContact O-N 3.35Å; A168-R172 VanDerWaalsContact O-N 3.15Å; A168-R172 PolarHBondContact O-NE 3.04Å
169E92.5Very high93.1Very high59 Ų5947.6 Ų47.628%0.27623%0.228SC..Hα-helixtrans-72.9-40.9172.9-76.5165.6-106.600112.2C164 P165 T166 R171 R172 S173C164-E169 HydrophobicContact CB-CB 4.22Å; P165-E169 VanDerWaalsContact CD-OE2 3.31Å; P165-E169 WeakPolarHBondContact CD-OE2 3.26Å; P165-E169 WeakPolarHBondContact CG-OE2 3.47Å; T166-E169 WeakPolarHBondContact CG2-OE1 3.28Å; T166-E169 PolarHBondContact O-N 3.21Å; T166-E169 VanDerWaalsContact O-N 3.07Å; T166-E169 WeakPolarHBondContact OG1-CB 3.03Å; T166-E169 VanDerWaalsContact OG1-CG 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.41Å; T166-E169 PolarHBondContact OG1-N 3.25Å; T166-E169 PolarHBondContact OG1-OE1 3.32Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 2.79Å; E169-R172 PolarHBondContact O-N 3.05Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.39Å
170A95.9Very high92.6Very high0 Ų053.3 Ų53.30%026%0.255CS..Hα-helixtrans-56.9-49.3173.900000110.9M138 Y146 C148 S160 C164 T166 K167 R172 S173 A174M138-A170 HydrophobicContact CE-CB 4.22Å; Y146-A170 WeakPolarHBondContact O-CB 3.45Å; C148-A170 HydrophobicContact CB-CB 3.82Å; S160-A170 WeakPolarHBondContact CB-O 3.25Å; C164-A170 HydrophobicContact CB-CB 3.9Å; T166-A170 PolarHBondContact O-N 2.89Å; K167-A170 PolarHBondContact O-N 2.77Å; A170-R172 PolarHBondContact O-N 2.87Å; A170-S173 PolarHBondContact O-N 3.39Å; A170-A174 PolarHBondContact O-N 3.27Å
171R96.4Very high92.2Very high109 Ų10955.2 Ų55.241%0.41127%0.266SS..Hα-helixtrans-59.2-43.7176.6-168.7175.4-177.7176.2-1.5112.9V111 Y136 K167 E169 A175V111-R171 HydrophobicContact CG2-CG 4.3Å; Y136-R171 HydrophobicContact CD1-CG 3.56Å; Y136-R171 HydrophobicContact CE1-CG 3.74Å; Y136-R171 HydrophobicContact CG-CG 4.23Å; K167-R171 PolarHBondContact O-N 3.4Å; E169-R171 VanDerWaalsContact C-N 3.34Å; E169-R171 PolarHBondContact O-N 2.79Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 2.75Å
172R93.4Very high92Very high120 Ų12052.6 Ų52.645%0.45325%0.254SS..Hα-helixtrans-67-36.1176.2-77.8-176.2-76121.4-12.2112.9V110 V111 A168 E169 A170 K176V110-R172 HydrophobicContact CG2-CB 4.21Å; V110-R172 HydrophobicContact CG2-CG 4.24Å; V111-R172 HydrophobicContact CG2-CG 4.13Å; A168-R172 WeakPolarHBondContact O-CB 3.36Å; A168-R172 WeakPolarHBondContact O-CG 3.5Å; A168-R172 PolarHBondContact O-N 3.35Å; A168-R172 VanDerWaalsContact O-N 3.15Å; A168-R172 PolarHBondContact O-NE 3.04Å; E169-R172 PolarHBondContact O-N 3.05Å; A170-R172 PolarHBondContact O-N 2.87Å; R172-K176 WeakPolarHBondContact O-CB 3.47Å; R172-K176 PolarHBondContact O-N 2.99Å
173S91.5Very high91.8Very high8 Ų849.5 Ų49.56%0.05624%0.242CC..Hα-helixtrans-64.8-47.4176.8177.40000111.1S160 F161 E169 A170 K176 I177S160-S173 WeakPolarHBondContact CA-OG 3.36Å; F161-S173 WeakPolarHBondContact CD1-OG 3.22Å; F161-S173 WeakPolarHBondContact CE1-OG 3.49Å; F161-S173 PolarHBondContact N-OG 2.91Å; E169-S173 WeakPolarHBondContact O-CB 3.4Å; E169-S173 PolarHBondContact O-N 3.39Å; A170-S173 PolarHBondContact O-N 3.39Å; S173-K176 PolarHBondContact O-N 3.11Å; S173-I177 PolarHBondContact O-N 3.42Å
174A95.1Very high91.2Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-61.1-50.7175.700000111.6C148 V150 A170 K176 I177 A178C148-A174 HydrophobicContact CB-CB 4.26Å; C148-A174 WeakPolarHBondContact O-CB 3.44Å; V150-A174 HydrophobicContact CB-CB 4.23Å; V150-A174 HydrophobicContact CG1-CB 3.83Å; A170-A174 PolarHBondContact O-N 3.27Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 3.07Å; A174-I177 PolarHBondContact O-N 2.81Å; A174-A178 WeakPolarHBondContact O-CB 3.18Å; A174-A178 PolarHBondContact O-N 3.01Å
175A94Very high90.5Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-57.2-36.2177.900000112.8V110 V111 L114 Y136 R171 A178 L179V110-A175 HydrophobicContact CG2-CB 4.13Å; V111-A175 HydrophobicContact CG2-CB 3.88Å; L114-A175 HydrophobicContact CD2-CB 4.24Å; Y136-A175 HydrophobicContact CE1-CB 4.09Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 2.75Å; A175-A178 PolarHBondContact O-N 3.18Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 3.09Å
176K89.4Confident89.7Confident105 Ų10547.1 Ų47.146%0.45723%0.228SC..Hα-helixtrans-62.6-48.8178.7-174.1-175.2176.7-171.20112.4R172 S173 A174 M180R172-K176 WeakPolarHBondContact O-CB 3.47Å; R172-K176 PolarHBondContact O-N 2.99Å; S173-K176 PolarHBondContact O-N 3.11Å; A174-K176 VanDerWaalsContact C-N 3.25Å; A174-K176 PolarHBondContact O-N 3.07Å; K176-M180 HydrophobicContact CG-SD 4.37Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 2.89Å
177I88.7Confident88.8Confident17 Ų1747 Ų479%0.08722%0.223CC..Hα-helixtrans-65.2-45.1177.2-72.5-167.7000110.4F158 F161 S173 A174 L179 M180 N181F158-I177 HydrophobicContact CB-CG2 3.96Å; F158-I177 HydrophobicContact CD1-CG2 3.47Å; F158-I177 VanDerWaalsContact CD1-CG2 3.47Å; F158-I177 HydrophobicContact CE1-CG2 4.19Å; F158-I177 HydrophobicContact CG-CG2 3.83Å; F161-I177 HydrophobicContact CB-CD1 3.76Å; F161-I177 HydrophobicContact CD1-CD1 3.17Å; F161-I177 HydrophobicContact CD1-CG1 3.58Å; F161-I177 HydrophobicContact CD2-CD1 4.32Å; F161-I177 HydrophobicContact CE1-CD1 3.79Å; F161-I177 HydrophobicContact CE1-CG1 3.73Å; F161-I177 HydrophobicContact CG-CD1 3.49Å; F161-I177 VanDerWaalsContact CG-CD1 3.49Å; F161-I177 HydrophobicContact CG-CG1 4.36Å; S173-I177 PolarHBondContact O-N 3.42Å; A174-I177 PolarHBondContact O-N 2.81Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.24Å; I177-M180 PolarHBondContact O-N 2.83Å; I177-N181 WeakPolarHBondContact CG2-ND2 3.39Å; I177-N181 PolarHBondContact O-N 3.47Å; I177-N181 PolarHBondContact O-ND2 3.06Å
178A91.6Very high87.7Confident0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-63.4-38.1-178.700000112.2L114 V150 L152 F158 A174 A175 S182L114-A178 HydrophobicContact CD2-CB 3.72Å; V150-A178 HydrophobicContact CG1-CB 3.46Å; V150-A178 VanDerWaalsContact CG1-CB 3.46Å; V150-A178 HydrophobicContact CG2-CB 4.49Å; L152-A178 HydrophobicContact CD1-CB 4.38Å; L152-A178 HydrophobicContact CD2-CB 4.08Å; L152-A178 HydrophobicContact CG-CB 4.47Å; F158-A178 HydrophobicContact CB-CB 4.24Å; F158-A178 HydrophobicContact CD2-CB 3.79Å; F158-A178 HydrophobicContact CG-CB 4.3Å; A174-A178 WeakPolarHBondContact O-CB 3.18Å; A174-A178 PolarHBondContact O-N 3.01Å; A175-A178 PolarHBondContact O-N 3.18Å; A178-S182 VanDerWaalsContact O-CB 3.25Å; A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.72Å; A178-S182 PolarHBondContact O-OG 3.27Å
179L89Confident86.7Confident11 Ų1147 Ų476%0.05823%0.231CC..Hα-helixtrans-65.9-46.8173.4-177.257.2000112.3F98 V110 A113 L114 F117 A175 I177 N181 S182 V183F98-L179 HydrophobicContact CE2-CD2 4.2Å; F98-L179 HydrophobicContact CZ-CD1 4.12Å; F98-L179 HydrophobicContact CZ-CD2 3.86Å; F98-L179 HydrophobicContact CZ-CG 4.32Å; V110-L179 HydrophobicContact CB-CD2 4.44Å; A113-L179 HydrophobicContact CB-CD2 3.89Å; L114-L179 HydrophobicContact CB-CB 4.33Å; L114-L179 HydrophobicContact CB-CD1 4.27Å; L114-L179 HydrophobicContact CD1-CB 4.22Å; L114-L179 HydrophobicContact CD1-CD1 4.16Å; F117-L179 HydrophobicContact CB-CD1 4.42Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 3.09Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.24Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-N 2.94Å; L179-V183 HydrophobicContact CD1-CG2 3.87Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.95Å
180M86.1Confident85.9Confident122 Ų12246.5 Ų46.560%0.60123%0.226SC*.Hα-helixtrans-56.3-47.3175.6-73.5176.161.600111.1K176 I177 F184K176-M180 HydrophobicContact CG-SD 4.37Å; K176-M180 VanDerWaalsContact O-CG 3.32Å; K176-M180 WeakPolarHBondContact O-CG 3.39Å; K176-M180 PolarHBondContact O-N 2.89Å; I177-M180 PolarHBondContact O-N 2.83Å; M180-F184 WeakPolarHBondContact O-CB 3.32Å; M180-F184 PolarHBondContact O-N 2.79Å
181N86Confident85.3Confident40 Ų4051.7 Ų51.721%0.21425%0.246CC..Hα-helixtrans-67.9-39.5177.3-77.2-80.2000113F158 I177 L179 F184 N185F158-N181 HydrophobicContact CE1-CB 4.11Å; F158-N181 HydrophobicContact CE2-CB 3.94Å; F158-N181 HydrophobicContact CZ-CB 3.52Å; I177-N181 WeakPolarHBondContact CG2-ND2 3.39Å; I177-N181 PolarHBondContact O-N 3.47Å; I177-N181 PolarHBondContact O-ND2 3.06Å; L179-N181 VanDerWaalsContact C-N 3.32Å; L179-N181 PolarHBondContact O-N 2.88Å; N181-F184 PolarHBondContact O-N 2.91Å; N181-N185 WeakPolarHBondContact O-CB 3.49Å; N181-N185 PolarHBondContact O-N 2.83Å; N181-N185 VanDerWaalsContact O-N 3.11Å; N181-N185 PolarHBondContact O-ND2 3.4Å
182S85.9Confident84.9Confident3 Ų346.6 Ų46.62%0.02123%0.227CC..Hα-helixtrans-58.8-50.7179.2-62.30000111.2F117 W118 L152 A178 L179F117-S182 WeakPolarHBondContact CZ-O 3.49Å; W118-S182 PolarHBondContact NE1-OG 3.27Å; L152-S182 WeakPolarHBondContact CD1-OG 3.31Å; A178-S182 VanDerWaalsContact O-CB 3.25Å; A178-S182 WeakPolarHBondContact O-CB 3.28Å; A178-S182 PolarHBondContact O-N 2.72Å; A178-S182 PolarHBondContact O-OG 3.27Å; L179-S182 PolarHBondContact O-N 2.94Å
183V82.6Confident84.7Confident31 Ų3143.8 Ų43.819%0.18822%0.223CC..Hα-helixtrans-75.8-33.4-177.7-164.40000111.9V94 F117 L179 N185 E186V94-V183 HydrophobicContact CG1-CG1 4.42Å; V94-V183 HydrophobicContact CG2-CB 4.1Å; V94-V183 HydrophobicContact CG2-CG1 3.31Å; F117-V183 HydrophobicContact CD2-CG2 3.76Å; F117-V183 HydrophobicContact CE2-CB 4.15Å; F117-V183 HydrophobicContact CE2-CG1 4.14Å; F117-V183 HydrophobicContact CE2-CG2 3.71Å; F117-V183 HydrophobicContact CG-CG2 4.39Å; F117-V183 HydrophobicContact CZ-CG2 4.33Å; L179-V183 HydrophobicContact CD1-CG2 3.87Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.95Å; V183-N185 VanDerWaalsContact C-N 3.32Å; V183-N185 PolarHBondContact O-N 3.28Å; V183-E186 PolarHBondContact O-N 3.41Å
184F79.6Confident84.8Confident55 Ų5547.5 Ų47.524%0.24124%0.242CC..Hα-helixtrans-66.3-32.6179.3-171.3-126.6000113.1L87 M180 N181 E186 H187 R190L87-F184 HydrophobicContact CD1-CE2 3.52Å; L87-F184 HydrophobicContact CD1-CZ 3.51Å; M180-F184 WeakPolarHBondContact O-CB 3.32Å; M180-F184 PolarHBondContact O-N 2.79Å; N181-F184 PolarHBondContact O-N 2.91Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.05Å; F184-H187 WeakPolarHBondContact O-CB 3.41Å; F184-H187 PolarHBondContact O-N 2.82Å; F184-R190 VanDerWaalsContact CE1-NH2 3.28Å; F184-R190 VanDerWaalsContact CZ-NE 3.34Å; F184-R190 VanDerWaalsContact CZ-NH2 3.31Å; F184-R190 WeakPolarHBondContact O-CG 3.38Å
185N80Confident84.5Confident12 Ų1252.6 Ų52.66%0.06427%0.269CS..Hα-helixtrans-73.7-16.4177-79-61.2000114.4N181 V183 H187 L238N181-N185 WeakPolarHBondContact O-CB 3.49Å; N181-N185 PolarHBondContact O-N 2.83Å; N181-N185 VanDerWaalsContact O-N 3.11Å; N181-N185 PolarHBondContact O-ND2 3.4Å; V183-N185 VanDerWaalsContact C-N 3.32Å; V183-N185 PolarHBondContact O-N 3.28Å; N185-H187 VanDerWaalsContact C-N 3.27Å; N185-L238 HydrophobicContact CB-CB 4.44Å
186E79.1Confident84.2Confident77 Ų7755.4 Ų55.436%0.3628%0.282SS..THydrogen-bonded Turntrans-76.1-15.6171.7-66.2-62.1132.900113F117 K121 V183 F184F117-E186 HydrophobicContact CE2-CG 4.18Å; F117-E186 HydrophobicContact CZ-CG 3.62Å; K121-E186 VanDerWaalsContact CE-OE1 3.27Å; K121-E186 WeakPolarHBondContact CE-OE1 3.46Å; K121-E186 IonicContact NZ-OE1 3.86Å; K121-E186 PolarHBondContact NZ-OE1 3.44Å; V183-E186 PolarHBondContact O-N 3.41Å; F184-E186 VanDerWaalsContact C-N 3.32Å; F184-E186 PolarHBondContact O-N 3.05Å
187H76.3Confident84.3Confident52 Ų5250.5 Ų50.524%0.24126%0.261CS..SBendtrans-65.1133.9-176.7-167-95.6000110.8F184 N185 S189 R190F184-H187 WeakPolarHBondContact O-CB 3.41Å; F184-H187 PolarHBondContact O-N 2.82Å; N185-H187 VanDerWaalsContact C-N 3.27Å; H187-S189 PolarHBondContact CE1-OG 2.96Å; H187-S189 PolarHBondContact ND1-N 3.01Å; H187-S189 PolarHBondContact ND1-OG 2.86Å; H187-S189 PolarHBondContact O-N 3.01Å; H187-R190 WeakPolarHBondContact O-CA 3.44Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.05Å
188P73.7Confident84.4Confident92 Ų9253 Ų5360%0.59727%0.272SS*.G310 helixtrans-55.3-30.8-176.5-29.636.3000114.9R190 R191P188-R190 PolarHBondContact O-N 3.38Å; P188-R191 PolarHBondContact O-N 2.95Å
189S73.2Confident84.3Confident75 Ų7558.7 Ų58.752%0.52430%0.297SS..G310 helixtrans-73.3-0.6174.672.80000115.2H187H187-S189 PolarHBondContact CE1-OG 2.96Å; H187-S189 PolarHBondContact ND1-N 3.01Å; H187-S189 PolarHBondContact ND1-OG 2.86Å; H187-S189 PolarHBondContact O-N 3.01Å
190R75.5Confident84.3Confident47 Ų4758.9 Ų58.918%0.17730%0.299CS..G310 helixtrans-105.811.4172-66.2-58.9-172.3-175.4-2.6113.2F184 H187 P188 M237F184-R190 VanDerWaalsContact CE1-NH2 3.28Å; F184-R190 VanDerWaalsContact CZ-NE 3.34Å; F184-R190 VanDerWaalsContact CZ-NH2 3.31Å; F184-R190 WeakPolarHBondContact O-CG 3.38Å; H187-R190 WeakPolarHBondContact O-CA 3.44Å; H187-R190 WeakPolarHBondContact O-CB 3.48Å; H187-R190 PolarHBondContact O-N 3.05Å; P188-R190 PolarHBondContact O-N 3.38Å; R190-M237 PolarHBondContact O-N 3.06Å
191R84.8Confident84.5Confident109 Ų10953.2 Ų53.241%0.41127%0.271SS..BIsolated β-bridgetrans-83151.7162.1-64.6-175.2176.7-81.7-7.5110.7P188 T193 G234 K235P188-R191 PolarHBondContact O-N 2.95Å; R191-T193 PolarHBondContact O-N 3.28Å; R191-G234 PolarHBondContact NH1-O 2.89Å; R191-K235 VanDerWaalsContact CA-O 3.3Å; R191-K235 WeakPolarHBondContact CA-O 3.21Å
192I88.1Confident84.5Confident2 Ų254.8 Ų54.81%0.0129%0.285CS..  trans-73.3109172.3-62173.3000108.5F196 I197 L229 N232 G234 K235 F240I192-F196 HydrophobicContact CG1-CD1 4.46Å; I192-F196 HydrophobicContact CG2-CD1 4.33Å; I192-I197 HydrophobicContact CG2-CD1 4.01Å; I192-I197 HydrophobicContact CG2-CG1 3.84Å; I192-L229 HydrophobicContact CD1-CD2 4.4Å; I192-N232 HydrophobicContact CD1-CB 3.86Å; I192-G234 PolarHBondContact O-N 3.33Å; I192-K235 PolarHBondContact N-O 3.35Å; I192-F240 HydrophobicContact CD1-CB 3.72Å; I192-F240 HydrophobicContact CD1-CD1 4.3Å; I192-F240 HydrophobicContact CD1-CD2 3.72Å; I192-F240 HydrophobicContact CD1-CE2 4.41Å; I192-F240 HydrophobicContact CD1-CG 3.65Å
193T89.3Confident84.6Confident61 Ų6161.1 Ų61.137%0.37431%0.314SS..  trans-114162.1177.160.30000110.6R191 D195 F196 I197R191-T193 PolarHBondContact O-N 3.28Å; T193-D195 VanDerWaalsContact C-N 3.28Å; T193-D195 PolarHBondContact O-N 3.36Å; T193-F196 WeakPolarHBondContact O-CA 3.2Å; T193-F196 WeakPolarHBondContact O-CB 3.35Å; T193-F196 PolarHBondContact O-N 3.07Å; T193-F196 PolarHBondContact OG1-N 3.36Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.92Å
194D91.8Very high84.8Confident86 Ų8660.1 Ų60.146%0.4631%0.309SS..Hα-helixtrans-54.5-45.6177.2-57-63.2000111.9F196 I197 E198 K233D194-F196 PolarHBondContact O-N 3.31Å; D194-I197 WeakPolarHBondContact O-CB 3.46Å; D194-I197 PolarHBondContact O-N 3.03Å; D194-E198 PolarHBondContact O-N 3.16Å; D194-K233 VanDerWaalsContact OD1-CE 3.27Å; D194-K233 WeakPolarHBondContact OD1-CE 3.21Å; D194-K233 IonicContact OD1-NZ 3.38Å; D194-K233 PolarHBondContact OD1-NZ 3.37Å; D194-K233 WeakPolarHBondContact OD2-CE 3.5Å; D194-K233 IonicContact OD2-NZ 2.63Å; D194-K233 PolarHBondContact OD2-NZ 2.94Å
195D89.7Confident85.1Confident107 Ų10758.6 Ų58.657%0.57230%0.303SS*.Hα-helixtrans-52.3-37.1171.7-82.326.5000114T193 K199T193-D195 VanDerWaalsContact C-N 3.28Å; T193-D195 PolarHBondContact O-N 3.36Å; D195-K199 WeakPolarHBondContact O-CB 3.16Å; D195-K199 WeakPolarHBondContact O-CD 3.28Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 2.84Å; D195-K199 IonicContact OD2-NZ 2.77Å
196F88.7Confident85.4Confident60 Ų6061.6 Ų61.626%0.26333%0.33SS..Hα-helixtrans-76.4-38.5178176.4-95.2000111.3I192 T193 D194 S200 L229 M237I192-F196 HydrophobicContact CG1-CD1 4.46Å; I192-F196 HydrophobicContact CG2-CD1 4.33Å; T193-F196 WeakPolarHBondContact O-CA 3.2Å; T193-F196 WeakPolarHBondContact O-CB 3.35Å; T193-F196 PolarHBondContact O-N 3.07Å; T193-F196 PolarHBondContact OG1-N 3.36Å; D194-F196 PolarHBondContact O-N 3.31Å; F196-S200 WeakPolarHBondContact CE1-OG 3.48Å; F196-S200 VanDerWaalsContact CZ-OG 3.28Å; F196-S200 WeakPolarHBondContact CZ-OG 3.42Å; F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 2.96Å; F196-S200 PolarHBondContact O-OG 2.83Å; F196-L229 HydrophobicContact CE1-CD2 4.04Å; F196-M237 HydrophobicContact CE1-CE 3.71Å; F196-M237 HydrophobicContact CE2-CE 4.12Å; F196-M237 HydrophobicContact CZ-CE 3.43Å; F196-M237 VanDerWaalsContact CZ-CE 3.43Å
197I91.1Very high85.7Confident2 Ų262.1 Ų62.11%0.0134%0.342CS..Hα-helixtrans-62.1-54.6177.1-60.4175000109.7I192 T193 D194 K199 S200 V201 R226 L229 E230I192-I197 HydrophobicContact CG2-CD1 4.01Å; I192-I197 HydrophobicContact CG2-CG1 3.84Å; T193-I197 WeakPolarHBondContact O-CG1 3.37Å; T193-I197 PolarHBondContact O-N 2.92Å; D194-I197 WeakPolarHBondContact O-CB 3.46Å; D194-I197 PolarHBondContact O-N 3.03Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.39Å; I197-S200 PolarHBondContact O-N 3.36Å; I197-V201 HydrophobicContact CG2-CG2 4.32Å; I197-V201 WeakPolarHBondContact O-CB 3.44Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.33Å; I197-V201 PolarHBondContact O-N 2.9Å; I197-R226 HydrophobicContact CG2-CG 4.21Å; I197-L229 HydrophobicContact CD1-CB 4.38Å; I197-L229 HydrophobicContact CG1-CB 3.97Å; I197-L229 HydrophobicContact CG2-CB 4.27Å; I197-L229 HydrophobicContact CG2-CD1 4.44Å; I197-E230 HydrophobicContact CD1-CB 4.45Å; I197-E230 HydrophobicContact CD1-CG 3.85Å; I197-E230 HydrophobicContact CG2-CG 4.15Å
198E91.1Very high85.7Confident70 Ų7064.1 Ų64.133%0.32735%0.35SS..Hα-helixtrans-58.4-44.9-179.6-70.8-67.8137.900111.4D194 V201 C202 R226D194-E198 PolarHBondContact O-N 3.16Å; E198-V201 PolarHBondContact O-N 3.42Å; E198-C202 WeakPolarHBondContact O-CB 3.38Å; E198-C202 PolarHBondContact O-N 3.29Å; E198-C202 PolarHBondContact O-SG 3.24Å; E198-R226 IonicContact OE1-CZ 3.85Å; E198-R226 IonicContact OE1-NH2 3.81Å; E198-R226 PolarHBondContact OE1-NH2 2.78Å
199K89.1Confident85.8Confident119 Ų11967.1 Ų67.152%0.51736%0.361SS..Hα-helixtrans-61.4-47.5175.7-73.4167.6-169.1148.30112.4D195 I197 V201 C202 E203D195-K199 WeakPolarHBondContact O-CB 3.16Å; D195-K199 WeakPolarHBondContact O-CD 3.28Å; D195-K199 WeakPolarHBondContact O-CG 3.36Å; D195-K199 PolarHBondContact O-N 2.84Å; D195-K199 IonicContact OD2-NZ 2.77Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.39Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.41Å; K199-C202 PolarHBondContact O-N 3.27Å; K199-E203 WeakPolarHBondContact O-CG 3.19Å; K199-E203 PolarHBondContact O-N 3.02Å
200S88.8Confident85.5Confident14 Ų1464.4 Ų64.410%0.09834%0.344CS..Hα-helixtrans-63.8-36.9-179.4-57.30000112.3F196 I197 A204F196-S200 WeakPolarHBondContact CE1-OG 3.48Å; F196-S200 VanDerWaalsContact CZ-OG 3.28Å; F196-S200 WeakPolarHBondContact CZ-OG 3.42Å; F196-S200 VanDerWaalsContact O-CB 3.28Å; F196-S200 WeakPolarHBondContact O-CB 3.42Å; F196-S200 PolarHBondContact O-N 2.96Å; F196-S200 PolarHBondContact O-OG 2.83Å; I197-S200 PolarHBondContact O-N 3.36Å; S200-A204 WeakPolarHBondContact O-CB 3.49Å; S200-A204 PolarHBondContact O-N 2.78Å
201V89.3Confident85.5Confident4 Ų467.4 Ų67.42%0.02436%0.364CS..Hα-helixtrans-71.1-41.2176170.90000111I197 E198 K199 A204 L205 A215 I222 R226I197-V201 HydrophobicContact CG2-CG2 4.32Å; I197-V201 WeakPolarHBondContact O-CB 3.44Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.33Å; I197-V201 PolarHBondContact O-N 2.9Å; E198-V201 PolarHBondContact O-N 3.42Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.41Å; V201-A204 PolarHBondContact O-N 3.06Å; V201-L205 HydrophobicContact CG1-CD1 4.17Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.01Å; V201-A215 HydrophobicContact CG1-CB 3.57Å; V201-I222 HydrophobicContact CG1-CG2 4.04Å; V201-R226 HydrophobicContact CG2-CB 3.79Å; V201-R226 HydrophobicContact CG2-CG 4Å
202C87.1Confident85.1Confident73 Ų7370.6 Ų70.649%0.49338%0.376SS..Hα-helixtrans-61.5-42.5172.7-71.70000112.6E198 K199 A204 L205 A206E198-C202 WeakPolarHBondContact O-CB 3.38Å; E198-C202 PolarHBondContact O-N 3.29Å; E198-C202 PolarHBondContact O-SG 3.24Å; K199-C202 PolarHBondContact O-N 3.27Å; C202-A204 VanDerWaalsContact C-N 3.35Å; C202-L205 PolarHBondContact O-N 2.85Å; C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.68Å
203E88.1Confident84.5Confident135 Ų13578 Ų7863%0.63141%0.411SS*.Hα-helixtrans-63.6-39.2175.5-74173.3-170.100111.7K199 S207K199-E203 WeakPolarHBondContact O-CG 3.19Å; K199-E203 PolarHBondContact O-N 3.02Å; E203-S207 WeakPolarHBondContact O-CB 3.32Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 2.75Å
204A86.9Confident83.8Confident10 Ų1079.1 Ų79.18%0.08341%0.412CS..Hα-helixtrans-64.4-48.3173.100000111.9S200 V201 C202 A206 S207 F208 I222 F225S200-A204 WeakPolarHBondContact O-CB 3.49Å; S200-A204 PolarHBondContact O-N 2.78Å; V201-A204 PolarHBondContact O-N 3.06Å; C202-A204 VanDerWaalsContact C-N 3.35Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.92Å; A204-S207 PolarHBondContact O-N 3.24Å; A204-S207 VanDerWaalsContact O-N 3.11Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 PolarHBondContact O-N 2.84Å; A204-F208 VanDerWaalsContact O-N 3.12Å; A204-I222 HydrophobicContact CB-CG2 4.48Å; A204-F225 HydrophobicContact CB-CD1 4.42Å; A204-F225 HydrophobicContact CB-CE1 4.45Å
205L85.8Confident83Confident23 Ų2375.2 Ų75.212%0.1239%0.391CS..Hα-helixtrans-56-46.1176.2-74.4165.8000111.9V201 C202 S207 F208 N209 G210 N211 A215 I222V201-L205 HydrophobicContact CG1-CD1 4.17Å; V201-L205 WeakPolarHBondContact O-CG 3.33Å; V201-L205 PolarHBondContact O-N 3.01Å; C202-L205 PolarHBondContact O-N 2.85Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.48Å; L205-F208 PolarHBondContact O-N 2.69Å; L205-N209 PolarHBondContact O-N 2.92Å; L205-G210 PolarHBondContact O-N 3.07Å; L205-N211 VanDerWaalsContact CD2-O 3.23Å; L205-N211 WeakPolarHBondContact CD2-O 3.31Å; L205-A215 HydrophobicContact CD1-CB 4Å; L205-A215 HydrophobicContact CD2-CB 4.25Å; L205-A215 HydrophobicContact CG-CB 4.38Å; L205-I222 HydrophobicContact CD2-CD1 3.65Å; L205-I222 HydrophobicContact CD2-CG2 4.27Å; L205-I222 HydrophobicContact CG-CD1 4.18Å; L205-I222 HydrophobicContact CG-CG2 4.22Å
206A85.8Confident82.4Confident76 Ų7674.6 Ų74.663%0.62839%0.388SS*.Hα-helixtrans-62.8-36.5177.300000112.8C202 A204C202-A206 WeakPolarHBondContact O-CB 3.47Å; C202-A206 PolarHBondContact O-N 2.68Å; A204-A206 VanDerWaalsContact C-N 3.32Å; A204-A206 PolarHBondContact O-N 2.92Å
207S85.5Confident82Confident88 Ų8875 Ų7562%0.61539%0.393SS*.Hα-helixtrans-73.1-26.6-179.2-58.30000113.8E203 A204 L205E203-S207 WeakPolarHBondContact O-CB 3.32Å; E203-S207 PolarHBondContact O-N 2.87Å; E203-S207 PolarHBondContact O-OG 2.75Å; A204-S207 PolarHBondContact O-N 3.24Å; A204-S207 VanDerWaalsContact O-N 3.11Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 3.48Å
208F77Confident81.1Confident94 Ų9477.3 Ų77.341%0.41241%0.408SS..Hα-helixtrans-110.86.8-177.5-71.8-84.8000113.9P52 L55 A204 L205 G210P52-F208 HydrophobicContact CB-CE1 4.43Å; L55-F208 HydrophobicContact CD2-CD2 3.99Å; L55-F208 HydrophobicContact CD2-CE2 3.22Å; L55-F208 HydrophobicContact CD2-CZ 3.6Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 PolarHBondContact O-N 2.84Å; A204-F208 VanDerWaalsContact O-N 3.12Å; L205-F208 PolarHBondContact O-N 2.69Å; F208-G210 PolarHBondContact O-N 2.94Å
209N75.3Confident80.3Confident155 Ų15577.8 Ų77.883%0.82942%0.419SS*.THydrogen-bonded Turntrans52.731.7-171.5-65.5103.4000113.3L205L205-N209 PolarHBondContact O-N 2.92Å
210G67.4Low80.1Confident17 Ų1773.2 Ų73.218%0.17540%0.401CS..  trans-81.8157.3-175.500000113.7L205 F208 E214L205-G210 PolarHBondContact O-N 3.07Å; F208-G210 PolarHBondContact O-N 2.94Å; G210-E214 WeakPolarHBondContact CA-OE2 3.49Å
211N75.6Confident79.7Confident111 Ų11174.3 Ų74.359%0.59442%0.415SS*.  trans-95.4153178.3-81.1-12.2000111.8L205 E213 E214L205-N211 VanDerWaalsContact CD2-O 3.23Å; L205-N211 WeakPolarHBondContact CD2-O 3.31Å; N211-E213 PolarHBondContact O-N 3.16Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 PolarHBondContact N-OE2 3.26Å; N211-E214 VanDerWaalsContact N-OE2 3.15Å; N211-E214 VanDerWaalsContact O-CB 3.26Å; N211-E214 WeakPolarHBondContact O-CB 3.39Å; N211-E214 PolarHBondContact O-N 2.92Å
212R75.8Confident79.6Confident175 Ų17574.6 Ų74.666%0.6642%0.416SS*.Hα-helixtrans-56.1-37.1-178.3-168.1174.8-171.6155.99113.3E214 A215 D216R212-E214 PolarHBondContact O-N 3.29Å; R212-A215 WeakPolarHBondContact O-CB 3.33Å; R212-A215 PolarHBondContact O-N 2.83Å; R212-D216 PolarHBondContact O-N 3.03Å
213E75.1Confident79.5Confident159 Ų15971.3 Ų71.374%0.74340%0.395SS*.Hα-helixtrans-57.7-27.7174.8-62.2177.3174.700113.2N211 N217N211-E213 PolarHBondContact O-N 3.16Å; E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 3.46Å
214E75.9Confident79.4Confident84 Ų8465.5 Ų65.539%0.39337%0.369SS..Hα-helixtrans-71-39.2174.4-58.6-176.8139.700111.2G210 N211 R212 D216 N217 T220G210-E214 WeakPolarHBondContact CA-OE2 3.49Å; N211-E214 HydrophobicContact CB-CG 4.49Å; N211-E214 PolarHBondContact N-OE2 3.26Å; N211-E214 VanDerWaalsContact N-OE2 3.15Å; N211-E214 VanDerWaalsContact O-CB 3.26Å; N211-E214 WeakPolarHBondContact O-CB 3.39Å; N211-E214 PolarHBondContact O-N 2.92Å; R212-E214 PolarHBondContact O-N 3.29Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 2.88Å; E214-N217 PolarHBondContact O-N 3.13Å; E214-T220 HydrophobicContact CB-CG2 3.92Å; E214-T220 HydrophobicContact CG-CG2 4.44Å; E214-T220 WeakPolarHBondContact O-CB 3.25Å; E214-T220 WeakPolarHBondContact O-CG2 3.32Å; E214-T220 PolarHBondContact O-OG1 2.82Å
215A73.3Confident79.3Confident3 Ų366.3 Ų66.33%0.02537%0.371CS..Hα-helixtrans-69.8-26178.200000113.4V201 L205 R212 I222 G223 R226V201-A215 HydrophobicContact CG1-CB 3.57Å; L205-A215 HydrophobicContact CD1-CB 4Å; L205-A215 HydrophobicContact CD2-CB 4.25Å; L205-A215 HydrophobicContact CG-CB 4.38Å; R212-A215 WeakPolarHBondContact O-CB 3.33Å; R212-A215 PolarHBondContact O-N 2.83Å; A215-I222 HydrophobicContact CB-CG2 3.72Å; A215-G223 WeakPolarHBondContact O-CA 3.32Å; A215-R226 WeakPolarHBondContact O-CD 3.16Å
216D78.3Confident79.5Confident95 Ų9567.2 Ų67.251%0.50837%0.373SS..Hα-helixtrans-84.6-10.9175.4-63.3-38.5000112.7R212 E214 P218 R226R212-D216 PolarHBondContact O-N 3.03Å; E214-D216 VanDerWaalsContact C-N 3.3Å; E214-D216 PolarHBondContact O-N 2.88Å; D216-P218 WeakPolarHBondContact O-CD 3.07Å; D216-R226 IonicContact OD1-CZ 2.72Å; D216-R226 IonicContact OD1-NH1 2.69Å; D216-R226 PolarHBondContact OD1-NH1 3.44Å
217N79.6Confident79.5Confident67 Ų6767.1 Ų67.136%0.35836%0.358SS..  trans-101.9110.6-179.6175.62.3000111.8E213 E214 S219 T220E213-N217 WeakPolarHBondContact O-CB 3.3Å; E213-N217 PolarHBondContact O-N 3.46Å; E214-N217 PolarHBondContact O-N 3.13Å; N217-S219 VanDerWaalsContact CG-OG 3.23Å; N217-S219 PolarHBondContact ND2-OG 3.43Å; N217-S219 VanDerWaalsContact ND2-OG 3.12Å; N217-S219 PolarHBondContact O-N 2.9Å; N217-S219 WeakPolarHBondContact OD1-CB 3.4Å; N217-S219 PolarHBondContact OD1-N 3.38Å; N217-S219 PolarHBondContact OD1-OG 3.24Å; N217-T220 HydrophobicContact CB-CG2 3.93Å; N217-T220 PolarHBondContact O-N 2.86Å; N217-T220 PolarHBondContact O-OG1 3.39Å
218P72.9Confident79.6Confident51 Ų5163.8 Ų63.833%0.33133%0.333SS..THydrogen-bonded Turntrans-61.7-15.7-179.4-23.134.1000115D216 T220 Q267D216-P218 WeakPolarHBondContact O-CD 3.07Å; P218-T220 VanDerWaalsContact C-N 3.3Å; P218-Q267 HydrophobicContact CB-CG 4.34Å
219S74.8Confident80.2Confident80 Ų8059.4 Ų59.456%0.55931%0.314SS*.THydrogen-bonded Turntrans-84.56.4174.673.50000114.1N217 R266N217-S219 VanDerWaalsContact CG-OG 3.23Å; N217-S219 PolarHBondContact ND2-OG 3.43Å; N217-S219 VanDerWaalsContact ND2-OG 3.12Å; N217-S219 PolarHBondContact O-N 2.9Å; N217-S219 WeakPolarHBondContact OD1-CB 3.4Å; N217-S219 PolarHBondContact OD1-N 3.38Å; N217-S219 PolarHBondContact OD1-OG 3.24Å; S219-R266 PolarHBondContact O-NH1 2.79Å
220T84.3Confident80.9Confident23 Ų2356 Ų5614%0.14129%0.293CS..SBendtrans-100.5171.3167.482.10000112.1E214 N217 P218 I222 G223 A224 R266E214-T220 HydrophobicContact CB-CG2 3.92Å; E214-T220 HydrophobicContact CG-CG2 4.44Å; E214-T220 WeakPolarHBondContact O-CB 3.25Å; E214-T220 WeakPolarHBondContact O-CG2 3.32Å; E214-T220 PolarHBondContact O-OG1 2.82Å; N217-T220 HydrophobicContact CB-CG2 3.93Å; N217-T220 PolarHBondContact O-N 2.86Å; N217-T220 PolarHBondContact O-OG1 3.39Å; P218-T220 VanDerWaalsContact C-N 3.3Å; T220-I222 VanDerWaalsContact C-N 3.35Å; T220-I222 PolarHBondContact OG1-N 3.02Å; T220-G223 PolarHBondContact OG1-N 2.63Å; T220-A224 VanDerWaalsContact O-CB 3.31Å; T220-A224 WeakPolarHBondContact O-CB 3.35Å; T220-A224 PolarHBondContact O-N 2.78Å; T220-R266 PolarHBondContact O-NH1 3.29Å
221G81Confident81.9Confident37 Ų3758.1 Ų58.138%0.38131%0.306SS..Hα-helixtrans-70.5-35.3176.300000112F225G221-F225 WeakPolarHBondContact O-CB 3.22Å; G221-F225 PolarHBondContact O-N 3.1Å; G221-F225 VanDerWaalsContact O-N 3.07Å
222I85.8Confident82.4Confident11 Ų1153.1 Ų53.16%0.05628%0.279CS..Hα-helixtrans-77-42-177.3-57.2179.2000110.5V201 A204 L205 A215 T220 A224 F225 R226V201-I222 HydrophobicContact CG1-CG2 4.04Å; A204-I222 HydrophobicContact CB-CG2 4.48Å; L205-I222 HydrophobicContact CD2-CD1 3.65Å; L205-I222 HydrophobicContact CD2-CG2 4.27Å; L205-I222 HydrophobicContact CG-CD1 4.18Å; L205-I222 HydrophobicContact CG-CG2 4.22Å; A215-I222 HydrophobicContact CB-CG2 3.72Å; T220-I222 VanDerWaalsContact C-N 3.35Å; T220-I222 PolarHBondContact OG1-N 3.02Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.04Å; I222-F225 WeakPolarHBondContact O-CB 3.33Å; I222-F225 PolarHBondContact O-N 2.79Å; I222-R226 WeakPolarHBondContact O-CB 3.42Å; I222-R226 PolarHBondContact O-N 2.92Å
223G86Confident83.1Confident4 Ų450 Ų504%0.04127%0.27CS..Hα-helixtrans-64.9-35.9173.500000113A215 T220 R226 F227A215-G223 WeakPolarHBondContact O-CA 3.32Å; T220-G223 PolarHBondContact OG1-N 2.63Å; G223-R226 PolarHBondContact O-N 2.71Å; G223-F227 WeakPolarHBondContact O-CB 2.87Å; G223-F227 PolarHBondContact O-N 3.39Å
224A84.6Confident83.7Confident12 Ų1244.2 Ų44.210%0.09925%0.253CS..Hα-helixtrans-64.5-40.4171.300000112.6T220 I222 M228 R266 L270T220-A224 VanDerWaalsContact O-CB 3.31Å; T220-A224 WeakPolarHBondContact O-CB 3.35Å; T220-A224 PolarHBondContact O-N 2.78Å; I222-A224 VanDerWaalsContact C-N 3.34Å; I222-A224 PolarHBondContact O-N 3.04Å; A224-M228 WeakPolarHBondContact O-CB 3.49Å; A224-M228 PolarHBondContact O-N 3.38Å; A224-R266 HydrophobicContact CB-CB 4.31Å; A224-L270 HydrophobicContact CB-CD1 4.08Å
225F86.1Confident84.2Confident27 Ų2743.3 Ų43.312%0.11825%0.248CC..Hα-helixtrans-65.4-43.8174.5175.8-121.3000112.1L55 A204 G221 I222 M228 L229L55-F225 HydrophobicContact CD1-CB 3.76Å; L55-F225 HydrophobicContact CD1-CD1 3.88Å; L55-F225 HydrophobicContact CD1-CD2 3.88Å; L55-F225 HydrophobicContact CD1-CE1 4.42Å; L55-F225 HydrophobicContact CD1-CE2 4.43Å; L55-F225 HydrophobicContact CD1-CG 3.57Å; A204-F225 HydrophobicContact CB-CD1 4.42Å; A204-F225 HydrophobicContact CB-CE1 4.45Å; G221-F225 WeakPolarHBondContact O-CB 3.22Å; G221-F225 PolarHBondContact O-N 3.1Å; G221-F225 VanDerWaalsContact O-N 3.07Å; I222-F225 WeakPolarHBondContact O-CB 3.33Å; I222-F225 PolarHBondContact O-N 2.79Å; F225-M228 WeakPolarHBondContact O-CB 3.28Å; F225-M228 PolarHBondContact O-N 2.85Å; F225-L229 HydrophobicContact CD1-CD1 4.2Å; F225-L229 HydrophobicContact CD2-CD1 4.47Å; F225-L229 HydrophobicContact CE1-CD1 3.78Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CE2-CD2 4.49Å; F225-L229 HydrophobicContact CE2-CG 4.21Å; F225-L229 HydrophobicContact CZ-CD1 3.7Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 3.34Å; F225-L229 PolarHBondContact O-N 3.08Å
226R89.3Confident84.4Confident42 Ų4243.6 Ų43.616%0.15825%0.25CC..Hα-helixtrans-57-53.2173.2-178.3-178.2-173154.413.4111.7I197 E198 V201 A215 D216 I222 G223 M228 L229 E230I197-R226 HydrophobicContact CG2-CG 4.21Å; E198-R226 IonicContact OE1-CZ 3.85Å; E198-R226 IonicContact OE1-NH2 3.81Å; E198-R226 PolarHBondContact OE1-NH2 2.78Å; V201-R226 HydrophobicContact CG2-CB 3.79Å; V201-R226 HydrophobicContact CG2-CG 4Å; A215-R226 WeakPolarHBondContact O-CD 3.16Å; D216-R226 IonicContact OD1-CZ 2.72Å; D216-R226 IonicContact OD1-NH1 2.69Å; D216-R226 PolarHBondContact OD1-NH1 3.44Å; I222-R226 WeakPolarHBondContact O-CB 3.42Å; I222-R226 PolarHBondContact O-N 2.92Å; G223-R226 PolarHBondContact O-N 2.71Å; R226-M228 VanDerWaalsContact C-N 3.26Å; R226-M228 PolarHBondContact O-N 2.86Å; R226-L229 WeakPolarHBondContact O-CB 3.28Å; R226-L229 PolarHBondContact O-N 2.72Å; R226-E230 HydrophobicContact CG-CG 4.32Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.23Å; R226-E230 IonicContact CZ-OE1 2.72Å; R226-E230 IonicContact NE-OE1 2.67Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.39Å
227F86.7Confident84.5Confident75 Ų7540.5 Ų40.533%0.32923%0.232SC..Hα-helixtrans-56.8-39.9177.7177.3-88.4000112.1G223 E230 S231 L270G223-F227 WeakPolarHBondContact O-CB 2.87Å; G223-F227 PolarHBondContact O-N 3.39Å; F227-E230 PolarHBondContact O-N 2.92Å; F227-S231 WeakPolarHBondContact CE1-OG 3.1Å; F227-S231 VanDerWaalsContact O-CB 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 2.87Å; F227-L270 HydrophobicContact CD1-CB 4.41Å; F227-L270 HydrophobicContact CD1-CD1 3.87Å; F227-L270 HydrophobicContact CE1-CB 4.24Å; F227-L270 HydrophobicContact CE1-CD1 4.47Å
228M88Confident84.2Confident18 Ų1838 Ų389%0.08922%0.219CC..Hα-helixtrans-63.9-40.4176.6-164.4-163.5-72.800111.8A224 F225 R226 N232 F240 L243 M244 F247 L270A224-M228 WeakPolarHBondContact O-CB 3.49Å; A224-M228 PolarHBondContact O-N 3.38Å; F225-M228 WeakPolarHBondContact O-CB 3.28Å; F225-M228 PolarHBondContact O-N 2.85Å; R226-M228 VanDerWaalsContact C-N 3.26Å; R226-M228 PolarHBondContact O-N 2.86Å; M228-N232 PolarHBondContact O-N 3.38Å; M228-N232 PolarHBondContact O-ND2 2.87Å; M228-F240 HydrophobicContact CG-CE2 3.96Å; M228-F240 HydrophobicContact CG-CZ 4.4Å; M228-F240 HydrophobicContact SD-CE2 3.96Å; M228-F240 HydrophobicContact SD-CZ 3.97Å; M228-L243 HydrophobicContact CG-CD2 3.76Å; M228-L243 HydrophobicContact SD-CD2 4.06Å; M228-L243 HydrophobicContact SD-CG 4.25Å; M228-M244 HydrophobicContact SD-SD 3.67Å; M228-M244 VanDerWaalsContact SD-SD 3.67Å; M228-F247 HydrophobicContact CE-CB 4.48Å; M228-F247 HydrophobicContact CE-CD1 4.24Å; M228-F247 HydrophobicContact CE-CD2 3.65Å; M228-F247 HydrophobicContact CE-CE1 4.47Å; M228-F247 HydrophobicContact CE-CE2 3.93Å; M228-F247 HydrophobicContact CE-CG 3.83Å; M228-F247 HydrophobicContact CE-CZ 4.35Å; M228-L270 HydrophobicContact CB-CD2 4.11Å; M228-L270 HydrophobicContact CE-CD2 3.45Å; M228-L270 VanDerWaalsContact CE-CD2 3.45Å; M228-L270 HydrophobicContact CG-CD2 4.09Å
229L89.2Confident84.5Confident1 Ų140.4 Ų40.41%0.00523%0.226CC..Hα-helixtrans-68.4-46.7175.3-69.9168.7000111.9I192 F196 I197 F225 R226 S231 N232 K233 F240I192-L229 HydrophobicContact CD1-CD2 4.4Å; F196-L229 HydrophobicContact CE1-CD2 4.04Å; I197-L229 HydrophobicContact CD1-CB 4.38Å; I197-L229 HydrophobicContact CG1-CB 3.97Å; I197-L229 HydrophobicContact CG2-CB 4.27Å; I197-L229 HydrophobicContact CG2-CD1 4.44Å; F225-L229 HydrophobicContact CD1-CD1 4.2Å; F225-L229 HydrophobicContact CD2-CD1 4.47Å; F225-L229 HydrophobicContact CE1-CD1 3.78Å; F225-L229 HydrophobicContact CE2-CD1 4.07Å; F225-L229 HydrophobicContact CE2-CD2 4.49Å; F225-L229 HydrophobicContact CE2-CG 4.21Å; F225-L229 HydrophobicContact CZ-CD1 3.7Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 3.34Å; F225-L229 PolarHBondContact O-N 3.08Å; R226-L229 WeakPolarHBondContact O-CB 3.28Å; R226-L229 PolarHBondContact O-N 2.72Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.36Å; L229-N232 CarbonylContact O-C 3.39Å; L229-N232 WeakPolarHBondContact O-CA 3.44Å; L229-N232 PolarHBondContact O-N 3.39Å; L229-K233 PolarHBondContact O-N 3.5Å; L229-K233 VanDerWaalsContact O-N 3.14Å; L229-F240 HydrophobicContact CD2-CD1 4.44Å; L229-F240 HydrophobicContact CD2-CE1 3.7Å; L229-F240 HydrophobicContact CD2-CE2 3.96Å; L229-F240 HydrophobicContact CD2-CZ 3.43Å; L229-F240 VanDerWaalsContact CD2-CZ 3.43Å; L229-F240 HydrophobicContact CG-CZ 4.12Å
230E89.9Confident84.9Confident83 Ų8337 Ų3739%0.38820%0.201SC..Hα-helixtrans-57.9-42.6177.7-71.7172.1175.200111.7I197 R226 F227 N232 K233I197-E230 HydrophobicContact CD1-CB 4.45Å; I197-E230 HydrophobicContact CD1-CG 3.85Å; I197-E230 HydrophobicContact CG2-CG 4.15Å; R226-E230 HydrophobicContact CG-CG 4.32Å; R226-E230 VanDerWaalsContact CG-OE1 3.31Å; R226-E230 WeakPolarHBondContact CG-OE1 3.23Å; R226-E230 IonicContact CZ-OE1 2.72Å; R226-E230 IonicContact NE-OE1 2.67Å; R226-E230 PolarHBondContact NE-OE1 3.41Å; R226-E230 IonicContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CG 3.44Å; R226-E230 PolarHBondContact O-N 3.39Å; F227-E230 PolarHBondContact O-N 2.92Å; E230-N232 PolarHBondContact O-N 3Å; E230-N232 VanDerWaalsContact O-N 3.13Å; E230-K233 VanDerWaalsContact O-CB 3.32Å; E230-K233 WeakPolarHBondContact O-CB 3.42Å; E230-K233 PolarHBondContact O-N 3.15Å
231S86.9Confident84.8Confident63 Ų6338.2 Ų38.244%0.44121%0.205SC..THydrogen-bonded Turntrans-65.4-12.2175.4-58.60000114.2F227 L229F227-S231 WeakPolarHBondContact CE1-OG 3.1Å; F227-S231 VanDerWaalsContact O-CB 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.41Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 2.87Å; L229-S231 VanDerWaalsContact C-N 3.31Å; L229-S231 PolarHBondContact O-N 3.36Å
232N87.1Confident84.9Confident5 Ų539.1 Ų39.13%0.02720%0.199CC..THydrogen-bonded Turntrans-11914.6178.9-70.5-79000112.8I192 M228 L229 E230 G234 K235 F240 L243I192-N232 HydrophobicContact CD1-CB 3.86Å; M228-N232 PolarHBondContact O-N 3.38Å; M228-N232 PolarHBondContact O-ND2 2.87Å; L229-N232 CarbonylContact O-C 3.39Å; L229-N232 WeakPolarHBondContact O-CA 3.44Å; L229-N232 PolarHBondContact O-N 3.39Å; E230-N232 PolarHBondContact O-N 3Å; E230-N232 VanDerWaalsContact O-N 3.13Å; N232-G234 PolarHBondContact O-N 2.89Å; N232-K235 HydrophobicContact CB-CD 4.13Å; N232-K235 VanDerWaalsContact O-CB 3.28Å; N232-K235 WeakPolarHBondContact O-CB 3.45Å; N232-K235 WeakPolarHBondContact O-CG 3.44Å; N232-K235 PolarHBondContact O-N 2.9Å; N232-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 WeakPolarHBondContact OD1-CD 3.42Å; N232-K235 WeakPolarHBondContact OD1-CE 3.19Å; N232-K235 PolarHBondContact OD1-NZ 3.46Å; N232-F240 HydrophobicContact CB-CD2 3.82Å; N232-F240 HydrophobicContact CB-CE2 4.35Å; N232-L243 VanDerWaalsContact ND2-CD2 3.33Å; N232-L243 WeakPolarHBondContact ND2-CD2 3.37Å
233K90.6Very high84.9Confident111 Ų11139.1 Ų39.148%0.48320%0.199SC..THydrogen-bonded Turntrans-52.1137.4175.4-175.9175.7175.6173.20111.8D194 L229 E230 K235D194-K233 VanDerWaalsContact OD1-CE 3.27Å; D194-K233 WeakPolarHBondContact OD1-CE 3.21Å; D194-K233 IonicContact OD1-NZ 3.38Å; D194-K233 PolarHBondContact OD1-NZ 3.37Å; D194-K233 WeakPolarHBondContact OD2-CE 3.5Å; D194-K233 IonicContact OD2-NZ 2.63Å; D194-K233 PolarHBondContact OD2-NZ 2.94Å; L229-K233 PolarHBondContact O-N 3.5Å; L229-K233 VanDerWaalsContact O-N 3.14Å; E230-K233 VanDerWaalsContact O-CB 3.32Å; E230-K233 WeakPolarHBondContact O-CB 3.42Å; E230-K233 PolarHBondContact O-N 3.15Å; K233-K235 PolarHBondContact O-N 2.96Å
234G86.8Confident84.9Confident37 Ų3739.7 Ų39.738%0.38120%0.201SC..THydrogen-bonded Turntrans82.4-22-177.100000115.3R191 I192 N232R191-G234 PolarHBondContact NH1-O 2.89Å; I192-G234 PolarHBondContact O-N 3.33Å; N232-G234 PolarHBondContact O-N 2.89Å
235K86.3Confident85.3Confident65 Ų6539.4 Ų39.428%0.28320%0.198SC..SBendtrans-67.9157173.5-58.6-172.2-172.2173.70111.3R191 I192 N232 K233 E239R191-K235 VanDerWaalsContact CA-O 3.3Å; R191-K235 WeakPolarHBondContact CA-O 3.21Å; I192-K235 PolarHBondContact N-O 3.35Å; N232-K235 HydrophobicContact CB-CD 4.13Å; N232-K235 VanDerWaalsContact O-CB 3.28Å; N232-K235 WeakPolarHBondContact O-CB 3.45Å; N232-K235 WeakPolarHBondContact O-CG 3.44Å; N232-K235 PolarHBondContact O-N 2.9Å; N232-K235 VanDerWaalsContact O-N 3.13Å; N232-K235 WeakPolarHBondContact OD1-CD 3.42Å; N232-K235 WeakPolarHBondContact OD1-CE 3.19Å; N232-K235 PolarHBondContact OD1-NZ 3.46Å; K233-K235 PolarHBondContact O-N 2.96Å; K235-E239 HydrophobicContact CB-CB 4.22Å; K235-E239 HydrophobicContact CD-CB 4.34Å
236S79.4Confident85.6Confident9 Ų938.1 Ų38.16%0.06319%0.193CC..BIsolated β-bridgetrans-71.8156170.5680000111.4L238 E239 F240S236-L238 PolarHBondContact O-N 3.11Å; S236-E239 VanDerWaalsContact CB-OE2 3.25Å; S236-E239 WeakPolarHBondContact CB-OE2 3.47Å; S236-E239 PolarHBondContact N-OE2 3Å; S236-E239 PolarHBondContact O-N 3.36Å; S236-E239 WeakPolarHBondContact OG-CG 3.37Å; S236-E239 PolarHBondContact OG-N 3.09Å; S236-E239 PolarHBondContact OG-OE2 2.84Å; S236-F240 PolarHBondContact O-N 3.3Å
237M78.3Confident85.6Confident30 Ų3037.3 Ų37.315%0.14819%0.19CC..Hα-helixtrans-57.1-29.1172.8-170.657.353.800112.8R190 F196 F240 Q241R190-M237 PolarHBondContact O-N 3.06Å; F196-M237 HydrophobicContact CE1-CE 3.71Å; F196-M237 HydrophobicContact CE2-CE 4.12Å; F196-M237 HydrophobicContact CZ-CE 3.43Å; F196-M237 VanDerWaalsContact CZ-CE 3.43Å; M237-F240 PolarHBondContact O-N 3.13Å; M237-F240 HydrophobicContact SD-CD1 4.11Å; M237-Q241 WeakPolarHBondContact O-CB 3.27Å; M237-Q241 VanDerWaalsContact O-CG 3.28Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 3.07Å
238L74.4Confident85.9Confident14 Ų1435.5 Ų35.57%0.07318%0.183CC..Hα-helixtrans-67.6-44178.7-158.481.4000112.3W118 S156 N185 S236 F240 Q241 E242W118-L238 HydrophobicContact CH2-CD2 3.72Å; W118-L238 HydrophobicContact CZ2-CD2 4.27Å; S156-L238 WeakPolarHBondContact OG-CD1 3.3Å; N185-L238 HydrophobicContact CB-CB 4.44Å; S236-L238 PolarHBondContact O-N 3.11Å; L238-F240 VanDerWaalsContact C-N 3.29Å; L238-F240 PolarHBondContact O-N 3.24Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.13Å; L238-E242 PolarHBondContact O-N 3.07Å
239E78.6Confident86.3Confident102 Ų10234.7 Ų34.748%0.47718%0.179SC..Hα-helixtrans-65.2-35.9175.2-67.7158.899.600111.2K235 S236K235-E239 HydrophobicContact CB-CB 4.22Å; K235-E239 HydrophobicContact CD-CB 4.34Å; S236-E239 VanDerWaalsContact CB-OE2 3.25Å; S236-E239 WeakPolarHBondContact CB-OE2 3.47Å; S236-E239 PolarHBondContact N-OE2 3Å; S236-E239 PolarHBondContact O-N 3.36Å; S236-E239 WeakPolarHBondContact OG-CG 3.37Å; S236-E239 PolarHBondContact OG-N 3.09Å; S236-E239 PolarHBondContact OG-OE2 2.84Å
240F83.4Confident86.5Confident8 Ų834.8 Ų34.84%0.03518%0.179CC..Hα-helixtrans-70.7-32.5175-173.6-108.8000112.9I192 M228 L229 N232 S236 M237 L238 E242 L243 M244I192-F240 HydrophobicContact CD1-CB 3.72Å; I192-F240 HydrophobicContact CD1-CD1 4.3Å; I192-F240 HydrophobicContact CD1-CD2 3.72Å; I192-F240 HydrophobicContact CD1-CE2 4.41Å; I192-F240 HydrophobicContact CD1-CG 3.65Å; M228-F240 HydrophobicContact CG-CE2 3.96Å; M228-F240 HydrophobicContact CG-CZ 4.4Å; M228-F240 HydrophobicContact SD-CE2 3.96Å; M228-F240 HydrophobicContact SD-CZ 3.97Å; L229-F240 HydrophobicContact CD2-CD1 4.44Å; L229-F240 HydrophobicContact CD2-CE1 3.7Å; L229-F240 HydrophobicContact CD2-CE2 3.96Å; L229-F240 HydrophobicContact CD2-CZ 3.43Å; L229-F240 VanDerWaalsContact CD2-CZ 3.43Å; L229-F240 HydrophobicContact CG-CZ 4.12Å; N232-F240 HydrophobicContact CB-CD2 3.82Å; N232-F240 HydrophobicContact CB-CE2 4.35Å; S236-F240 PolarHBondContact O-N 3.3Å; M237-F240 PolarHBondContact O-N 3.13Å; M237-F240 HydrophobicContact SD-CD1 4.11Å; L238-F240 VanDerWaalsContact C-N 3.29Å; L238-F240 PolarHBondContact O-N 3.24Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 2.87Å; F240-L243 PolarHBondContact O-N 3.11Å; F240-M244 HydrophobicContact CD1-CG 3.78Å; F240-M244 HydrophobicContact CE1-CG 3.44Å; F240-M244 VanDerWaalsContact CE1-CG 3.44Å; F240-M244 HydrophobicContact CE1-SD 3.7Å; F240-M244 HydrophobicContact CG-CG 4.48Å; F240-M244 HydrophobicContact CZ-CG 3.89Å; F240-M244 HydrophobicContact CZ-SD 3.66Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.35Å
241Q82.3Confident86.6Confident48 Ų4834 Ų3422%0.22418%0.175CC..Hα-helixtrans-62.8-31.5176.5-83.2172.6-5.200113.3M237 L238 M244 T245M237-Q241 WeakPolarHBondContact O-CB 3.27Å; M237-Q241 VanDerWaalsContact O-CG 3.28Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 3.07Å; L238-Q241 WeakPolarHBondContact O-CB 3.39Å; L238-Q241 PolarHBondContact O-N 3.13Å; Q241-M244 PolarHBondContact O-N 3.23Å; Q241-T245 WeakPolarHBondContact O-CB 3.36Å; Q241-T245 PolarHBondContact O-N 3.03Å; Q241-T245 PolarHBondContact O-OG1 2.97Å
242E82.4Confident87Confident56 Ų5632.9 Ų32.926%0.26216%0.161SC..Hα-helixtrans-62.1-49.2173.2177.6154.5-126.600111.3L238 F240 M244 T245 V246 R323L238-E242 PolarHBondContact O-N 3.07Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 2.87Å; E242-M244 VanDerWaalsContact C-N 3.35Å; E242-M244 PolarHBondContact O-N 3.49Å; E242-T245 WeakPolarHBondContact O-CB 3.44Å; E242-T245 PolarHBondContact O-N 3.12Å; E242-V246 PolarHBondContact O-N 3.28Å; E242-V246 VanDerWaalsContact O-N 3.11Å; E242-R323 IonicContact OE1-CZ 3.68Å; E242-R323 IonicContact OE1-NH1 3.89Å; E242-R323 PolarHBondContact OE1-NH1 2.99Å; E242-R323 IonicContact OE1-NH2 2.94Å; E242-R323 PolarHBondContact OE1-NH2 2.8Å
243L86.4Confident87.4Confident12 Ų1232.6 Ų32.66%0.06316%0.16CC..Hα-helixtrans-60.8-43.7176.2-176.461.1000111.7M228 N232 F240 T245 V246 F247 Y273M228-L243 HydrophobicContact CG-CD2 3.76Å; M228-L243 HydrophobicContact SD-CD2 4.06Å; M228-L243 HydrophobicContact SD-CG 4.25Å; N232-L243 VanDerWaalsContact ND2-CD2 3.33Å; N232-L243 WeakPolarHBondContact ND2-CD2 3.37Å; F240-L243 PolarHBondContact O-N 3.11Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.11Å; L243-V246 PolarHBondContact O-N 3.12Å; L243-F247 HydrophobicContact CD1-CD2 3.91Å; L243-F247 HydrophobicContact CD1-CE2 3.76Å; L243-F247 HydrophobicContact CG-CD2 4.18Å; L243-F247 HydrophobicContact CG-CE2 4.35Å; L243-F247 WeakPolarHBondContact O-CD2 3.41Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-F247 VanDerWaalsContact O-N 3.07Å; L243-Y273 WeakPolarHBondContact CD1-O 3.39Å
244M87.4Confident87.4Confident16 Ų1628.1 Ų28.18%0.07915%0.145CC..Hα-helixtrans-61.3-38.9175.7-72.1-58.1-54.400112.4M228 F240 Q241 E242 F247 Q248M228-M244 HydrophobicContact SD-SD 3.67Å; M228-M244 VanDerWaalsContact SD-SD 3.67Å; F240-M244 HydrophobicContact CD1-CG 3.78Å; F240-M244 HydrophobicContact CE1-CG 3.44Å; F240-M244 VanDerWaalsContact CE1-CG 3.44Å; F240-M244 HydrophobicContact CE1-SD 3.7Å; F240-M244 HydrophobicContact CG-CG 4.48Å; F240-M244 HydrophobicContact CZ-CG 3.89Å; F240-M244 HydrophobicContact CZ-SD 3.66Å; F240-M244 WeakPolarHBondContact O-CG 3.32Å; F240-M244 PolarHBondContact O-N 3.35Å; Q241-M244 PolarHBondContact O-N 3.23Å; E242-M244 VanDerWaalsContact C-N 3.35Å; E242-M244 PolarHBondContact O-N 3.49Å; M244-F247 PolarHBondContact O-N 2.96Å; M244-Q248 WeakPolarHBondContact O-CB 3.49Å; M244-Q248 WeakPolarHBondContact O-CG 3.4Å; M244-Q248 PolarHBondContact O-N 2.72Å
245T91.3Very high87.7Confident5 Ų527.3 Ų27.33%0.03113%0.134CC..Hα-helixtrans-62.3-45.7177.2-56.30000110.8Q241 E242 L243 F247 Q248 L249 R323 F324Q241-T245 WeakPolarHBondContact O-CB 3.36Å; Q241-T245 PolarHBondContact O-N 3.03Å; Q241-T245 PolarHBondContact O-OG1 2.97Å; E242-T245 WeakPolarHBondContact O-CB 3.44Å; E242-T245 PolarHBondContact O-N 3.12Å; L243-T245 VanDerWaalsContact C-N 3.32Å; L243-T245 PolarHBondContact O-N 3.11Å; T245-F247 PolarHBondContact O-N 3.37Å; T245-Q248 PolarHBondContact O-N 3.41Å; T245-L249 HydrophobicContact CG2-CD1 4.07Å; T245-L249 WeakPolarHBondContact O-CG 3.31Å; T245-L249 PolarHBondContact O-N 2.96Å; T245-R323 HydrophobicContact CG2-CG 4.15Å; T245-F324 HydrophobicContact CG2-CB 4.37Å
246V92.1Very high88Confident1 Ų126 Ų261%0.00613%0.13CC..Hα-helixtrans-57.4-47.9175.31670000111.2E242 L243 Q248 L249 L250 Y273 L278 M282E242-V246 PolarHBondContact O-N 3.28Å; E242-V246 VanDerWaalsContact O-N 3.11Å; L243-V246 PolarHBondContact O-N 3.12Å; V246-Q248 PolarHBondContact O-N 3.22Å; V246-L249 PolarHBondContact O-N 3.06Å; V246-L250 HydrophobicContact CG1-CD1 3.69Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 VanDerWaalsContact O-CG 3.29Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.2Å; V246-Y273 HydrophobicContact CG1-CD1 4.14Å; V246-Y273 HydrophobicContact CG1-CG 4.46Å; V246-L278 HydrophobicContact CG2-CB 4.03Å; V246-L278 HydrophobicContact CG2-CD1 4.49Å; V246-M282 HydrophobicContact CG1-CE 3.69Å
247F91.3Very high88.5Confident24 Ų2431 Ų3111%0.10515%0.15CC..Hα-helixtrans-67.1-35179.1-89.7-80.4000113.9M228 L243 M244 T245 H251 L256 V269 L270 Y273M228-F247 HydrophobicContact CE-CB 4.48Å; M228-F247 HydrophobicContact CE-CD1 4.24Å; M228-F247 HydrophobicContact CE-CD2 3.65Å; M228-F247 HydrophobicContact CE-CE1 4.47Å; M228-F247 HydrophobicContact CE-CE2 3.93Å; M228-F247 HydrophobicContact CE-CG 3.83Å; M228-F247 HydrophobicContact CE-CZ 4.35Å; L243-F247 HydrophobicContact CD1-CD2 3.91Å; L243-F247 HydrophobicContact CD1-CE2 3.76Å; L243-F247 HydrophobicContact CG-CD2 4.18Å; L243-F247 HydrophobicContact CG-CE2 4.35Å; L243-F247 WeakPolarHBondContact O-CD2 3.41Å; L243-F247 PolarHBondContact O-N 2.95Å; L243-F247 VanDerWaalsContact O-N 3.07Å; M244-F247 PolarHBondContact O-N 2.96Å; T245-F247 PolarHBondContact O-N 3.37Å; F247-H251 PolarHBondContact O-N 2.84Å; F247-L256 HydrophobicContact CD1-CD1 4.23Å; F247-L256 HydrophobicContact CD1-CD2 4.28Å; F247-L256 HydrophobicContact CE1-CD2 4.24Å; F247-V269 HydrophobicContact CE1-CG1 3.94Å; F247-V269 HydrophobicContact CZ-CG1 4.31Å; F247-L270 HydrophobicContact CE1-CD2 4.23Å; F247-L270 HydrophobicContact CE2-CD2 4.16Å; F247-L270 HydrophobicContact CZ-CD2 3.75Å; F247-L270 HydrophobicContact CZ-CG 4.39Å; F247-Y273 HydrophobicContact CZ-CD2 4.46Å
248Q92.9Very high89.2Confident38 Ų3831.4 Ų31.418%0.17816%0.158CC..Hα-helixtrans-65.3-43.4174-72.5165.73.900111.3M244 T245 V246 H251 W252 F324M244-Q248 WeakPolarHBondContact O-CB 3.49Å; M244-Q248 WeakPolarHBondContact O-CG 3.4Å; M244-Q248 PolarHBondContact O-N 2.72Å; T245-Q248 PolarHBondContact O-N 3.41Å; V246-Q248 PolarHBondContact O-N 3.22Å; Q248-H251 PolarHBondContact O-N 3.3Å; Q248-W252 VanDerWaalsContact O-CB 3.32Å; Q248-W252 WeakPolarHBondContact O-CB 3.26Å; Q248-W252 PolarHBondContact O-N 3.21Å; Q248-F324 HydrophobicContact CB-CD2 3.65Å; Q248-F324 HydrophobicContact CB-CE2 3.53Å; Q248-F324 HydrophobicContact CB-CG 4.45Å; Q248-F324 HydrophobicContact CB-CZ 4.24Å
249L95.6Very high90Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-66.2-46.1176.4-70.2168.7000112.1T245 V246 H251 W252 N253 L278 M286 F324 E327 K328 I331T245-L249 HydrophobicContact CG2-CD1 4.07Å; T245-L249 WeakPolarHBondContact O-CG 3.31Å; T245-L249 PolarHBondContact O-N 2.96Å; V246-L249 PolarHBondContact O-N 3.06Å; L249-H251 PolarHBondContact O-N 3.38Å; L249-W252 HydrophobicContact CD2-CE3 3.81Å; L249-W252 HydrophobicContact CD2-CZ3 4.02Å; L249-W252 PolarHBondContact O-N 3.18Å; L249-W252 VanDerWaalsContact O-N 3.13Å; L249-N253 PolarHBondContact O-N 3.02Å; L249-N253 PolarHBondContact O-OD1 3.08Å; L249-N253 VanDerWaalsContact O-OD1 3.09Å; L249-L278 HydrophobicContact CD1-CD1 3.97Å; L249-L278 HydrophobicContact CD1-CD2 3.34Å; L249-L278 HydrophobicContact CD1-CG 4.33Å; L249-M286 HydrophobicContact CB-CE 3.88Å; L249-M286 HydrophobicContact CB-SD 3.92Å; L249-F324 HydrophobicContact CD2-CD2 3.89Å; L249-F324 HydrophobicContact CD2-CE2 3.78Å; L249-F324 HydrophobicContact CG-CD2 3.98Å; L249-F324 HydrophobicContact CG-CE2 4.05Å; L249-E327 HydrophobicContact CD1-CB 3.84Å; L249-E327 HydrophobicContact CD2-CB 4.37Å; L249-K328 HydrophobicContact CD2-CG 3.84Å; L249-I331 HydrophobicContact CD1-CD1 4.28Å; L249-I331 HydrophobicContact CD2-CD1 4.17Å
250L93.6Very high90.6Very high3 Ų331.9 Ų31.92%0.01616%0.156CC..Hα-helixtrans-60.1-28.3175.5-74.2167.4000112.9V246 N253 S255 L256 M259 Y273 M286V246-L250 HydrophobicContact CG1-CD1 3.69Å; V246-L250 HydrophobicContact CG1-CG 4.34Å; V246-L250 WeakPolarHBondContact O-CB 3.43Å; V246-L250 VanDerWaalsContact O-CG 3.29Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 3.2Å; L250-N253 VanDerWaalsContact CA-OD1 3.27Å; L250-N253 WeakPolarHBondContact CA-OD1 3.21Å; L250-N253 PolarHBondContact O-OD1 3.23Å; L250-N253 VanDerWaalsContact O-OD1 3.07Å; L250-S255 PolarHBondContact O-N 2.82Å; L250-L256 HydrophobicContact CB-CD2 3.96Å; L250-L256 HydrophobicContact CB-CG 3.87Å; L250-L256 PolarHBondContact O-N 2.74Å; L250-M259 HydrophobicContact CD2-CE 4.39Å; L250-Y273 HydrophobicContact CD1-CD1 3.72Å; L250-Y273 HydrophobicContact CD1-CD2 3.64Å; L250-Y273 HydrophobicContact CD1-CE1 3.74Å; L250-Y273 HydrophobicContact CD1-CE2 3.68Å; L250-Y273 HydrophobicContact CD1-CG 3.67Å; L250-Y273 HydrophobicContact CD2-CE1 4.04Å; L250-Y273 HydrophobicContact CD2-CE2 4.33Å; L250-Y273 HydrophobicContact CG-CE1 4.49Å; L250-M286 HydrophobicContact CD2-CE 3.65Å; L250-M286 HydrophobicContact CG-CE 3.8Å
251H91.9Very high91Very high66 Ų6637 Ų3731%0.30618%0.18SC..Hα-helixtrans-76.2-52.5169.9-179.7-93.2000111.7P54 F247 Q248 L249 N253 G254 L256P54-H251 WeakPolarHBondContact CD-CE1 3.46Å; P54-H251 WeakPolarHBondContact CD-NE2 3.19Å; P54-H251 HydrophobicContact CG-CB 3.55Å; P54-H251 WeakPolarHBondContact CG-CD2 3.18Å; P54-H251 WeakPolarHBondContact CG-ND1 3.28Å; F247-H251 PolarHBondContact O-N 2.84Å; Q248-H251 PolarHBondContact O-N 3.3Å; L249-H251 PolarHBondContact O-N 3.38Å; H251-N253 VanDerWaalsContact C-N 3.34Å; H251-N253 PolarHBondContact O-N 3.14Å; H251-G254 VanDerWaalsContact O-CA 3.31Å; H251-G254 WeakPolarHBondContact O-CA 3.3Å; H251-G254 PolarHBondContact O-N 3.07Å; H251-L256 HydrophobicContact CB-CD1 3.91Å; H251-L256 HydrophobicContact CB-CG 4.47Å
252W95.4Very high91.6Very high40 Ų4044.5 Ų44.515%0.15221%0.206CC..Hα-helixtrans-58.2-45.1-174.6160.173.4000111.8Q248 L249 G254 W290 E304 F324 K328 I331 L332Q248-W252 VanDerWaalsContact O-CB 3.32Å; Q248-W252 WeakPolarHBondContact O-CB 3.26Å; Q248-W252 PolarHBondContact O-N 3.21Å; L249-W252 HydrophobicContact CD2-CE3 3.81Å; L249-W252 HydrophobicContact CD2-CZ3 4.02Å; L249-W252 PolarHBondContact O-N 3.18Å; L249-W252 VanDerWaalsContact O-N 3.13Å; W252-G254 PolarHBondContact O-N 3.02Å; W252-W290 HydrophobicContact CD2-CZ2 4.17Å; W252-W290 AromaticContact CE2-CZ2 3.48Å; W252-W290 VanDerWaalsContact CE2-CZ2 3.48Å; W252-W290 AromaticContact CH2-CE2 3.8Å; W252-W290 HydrophobicContact CH2-CZ2 4.09Å; W252-W290 AromaticContact CH2-NE1 3.15Å; W252-W290 AromaticContact CZ2-CE2 3.61Å; W252-W290 HydrophobicContact CZ2-CH2 4.45Å; W252-W290 AromaticContact CZ2-CZ2 3.45Å; W252-W290 HydrophobicContact CZ2-CZ2 3.45Å; W252-W290 VanDerWaalsContact CZ2-CZ2 3.45Å; W252-W290 AromaticContact CZ2-NE1 3.48Å; W252-W290 AromaticContact CZ3-NE1 3.51Å; W252-W290 AromaticContact NE1-CZ2 3.73Å; W252-E304 HydrophobicContact CZ2-CG 3.89Å; W252-E304 PolarHBondContact NE1-OE1 3.24Å; W252-F324 HydrophobicContact CB-CZ 4.34Å; W252-K328 HydrophobicContact CD2-CD 4.04Å; W252-K328 HydrophobicContact CD2-CG 3.8Å; W252-K328 VanDerWaalsContact CE2-CE 3.45Å; W252-K328 HydrophobicContact CE3-CG 3.92Å; W252-K328 HydrophobicContact CG-CD 4.19Å; W252-K328 HydrophobicContact CG-CG 4.39Å; W252-K328 HydrophobicContact CH2-CB 4.12Å; W252-K328 HydrophobicContact CH2-CG 4.04Å; W252-K328 HydrophobicContact CZ2-CB 4.18Å; W252-K328 HydrophobicContact CZ2-CD 4.33Å; W252-K328 HydrophobicContact CZ2-CG 3.94Å; W252-K328 HydrophobicContact CZ3-CB 4.45Å; W252-K328 HydrophobicContact CZ3-CG 4.04Å; W252-K328 VanDerWaalsContact NE1-CE 3.29Å; W252-I331 HydrophobicContact CH2-CG2 4.27Å; W252-I331 HydrophobicContact CZ3-CB 4.49Å; W252-I331 HydrophobicContact CZ3-CD1 4.39Å; W252-I331 HydrophobicContact CZ3-CG2 4.2Å; W252-L332 HydrophobicContact CH2-CD1 4.34Å; W252-L332 HydrophobicContact CH2-CD2 4.18Å; W252-L332 HydrophobicContact CH2-CG 3.94Å; W252-L332 HydrophobicContact CZ2-CD1 4Å; W252-L332 HydrophobicContact CZ2-CD2 4.04Å; W252-L332 HydrophobicContact CZ2-CG 3.99Å
253N94.4Very high92Very high0 Ų049.5 Ų49.50%023%0.23CC..THydrogen-bonded Turntrans-74.7-2.3174.195.1-50000112.7L249 L250 H251 S255 M286 D289 R293L249-N253 PolarHBondContact O-N 3.02Å; L249-N253 PolarHBondContact O-OD1 3.08Å; L249-N253 VanDerWaalsContact O-OD1 3.09Å; L250-N253 VanDerWaalsContact CA-OD1 3.27Å; L250-N253 WeakPolarHBondContact CA-OD1 3.21Å; L250-N253 PolarHBondContact O-OD1 3.23Å; L250-N253 VanDerWaalsContact O-OD1 3.07Å; H251-N253 VanDerWaalsContact C-N 3.34Å; H251-N253 PolarHBondContact O-N 3.14Å; N253-S255 PolarHBondContact ND2-OG 3.2Å; N253-S255 PolarHBondContact O-N 3.3Å; N253-S255 WeakPolarHBondContact OD1-CB 3.43Å; N253-S255 PolarHBondContact OD1-N 3.33Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å; N253-S255 PolarHBondContact OD1-OG 3.48Å; N253-S255 VanDerWaalsContact OD1-OG 3.11Å; N253-M286 HydrophobicContact CB-CB 4.43Å; N253-M286 HydrophobicContact CB-CG 4.34Å; N253-D289 PolarHBondContact ND2-OD2 2.91Å; N253-R293 VanDerWaalsContact O-CZ 3.27Å; N253-R293 PolarHBondContact O-NH1 2.88Å; N253-R293 PolarHBondContact O-NH2 2.84Å
254G92.1Very high92.1Very high16 Ų1651.4 Ų51.417%0.16524%0.243CC..SBendtrans82.3-1.1175.900000116.4H251 W252 L256 K257 A258H251-G254 VanDerWaalsContact O-CA 3.31Å; H251-G254 WeakPolarHBondContact O-CA 3.3Å; H251-G254 PolarHBondContact O-N 3.07Å; W252-G254 PolarHBondContact O-N 3.02Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 3.48Å; G254-K257 WeakPolarHBondContact O-CA 3.31Å; G254-K257 VanDerWaalsContact O-CB 3.3Å; G254-K257 WeakPolarHBondContact O-CB 3.21Å; G254-K257 PolarHBondContact O-N 3.44Å; G254-A258 PolarHBondContact O-N 3.28Å; G254-A258 VanDerWaalsContact O-N 3.12Å
255S92.7Very high92.2Very high21 Ų2152.9 Ų52.915%0.14726%0.255CS..Hα-helixtrans-59.7-34.9179.9-61.20000113.1L250 N253 K257 A258 M259 D289L250-S255 PolarHBondContact O-N 2.82Å; N253-S255 PolarHBondContact ND2-OG 3.2Å; N253-S255 PolarHBondContact O-N 3.3Å; N253-S255 WeakPolarHBondContact OD1-CB 3.43Å; N253-S255 PolarHBondContact OD1-N 3.33Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å; N253-S255 PolarHBondContact OD1-OG 3.48Å; N253-S255 VanDerWaalsContact OD1-OG 3.11Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.35Å; S255-A258 PolarHBondContact O-N 3.28Å; S255-M259 WeakPolarHBondContact O-CE 3.18Å; S255-M259 WeakPolarHBondContact O-CG 3.37Å; S255-M259 PolarHBondContact O-N 2.81Å; S255-D289 PolarHBondContact OG-OD2 2.9Å
256L91.8Very high91.9Very high37 Ų3757.3 Ų57.319%0.19427%0.272CS..Hα-helixtrans-63-31.6173-66.3-170.3000112.9F247 L250 H251 G254 M259 R260 V269F247-L256 HydrophobicContact CD1-CD1 4.23Å; F247-L256 HydrophobicContact CD1-CD2 4.28Å; F247-L256 HydrophobicContact CE1-CD2 4.24Å; L250-L256 HydrophobicContact CB-CD2 3.96Å; L250-L256 HydrophobicContact CB-CG 3.87Å; L250-L256 PolarHBondContact O-N 2.74Å; H251-L256 HydrophobicContact CB-CD1 3.91Å; H251-L256 HydrophobicContact CB-CG 4.47Å; G254-L256 VanDerWaalsContact C-N 3.29Å; G254-L256 PolarHBondContact O-N 3.48Å; L256-M259 HydrophobicContact CD2-CE 3.85Å; L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 PolarHBondContact O-N 3.4Å; L256-R260 VanDerWaalsContact O-N 3.13Å; L256-V269 HydrophobicContact CD2-CG1 3.85Å
257K91.2Very high91.5Very high114 Ų11462 Ų6250%0.49629%0.293SS..Hα-helixtrans-70.3-46.3175.2-173.7-178.4-177.6-81.10110.2G254 S255 M259 R260 E261G254-K257 WeakPolarHBondContact O-CA 3.31Å; G254-K257 VanDerWaalsContact O-CB 3.3Å; G254-K257 WeakPolarHBondContact O-CB 3.21Å; G254-K257 PolarHBondContact O-N 3.44Å; S255-K257 VanDerWaalsContact C-N 3.27Å; S255-K257 PolarHBondContact O-N 3.35Å; K257-M259 PolarHBondContact O-N 2.95Å; K257-R260 WeakPolarHBondContact O-CB 3.22Å; K257-R260 PolarHBondContact O-N 2.99Å; K257-E261 IonicContact NZ-OE1 3.64Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 WeakPolarHBondContact O-CG 3.36Å; K257-E261 PolarHBondContact O-N 2.86Å
258A91.1Very high91.3Very high38 Ų3866.5 Ų66.531%0.31432%0.315SS..Hα-helixtrans-63.2-40.2177.400000112.8G254 S255 E261 R262G254-A258 PolarHBondContact O-N 3.28Å; G254-A258 VanDerWaalsContact O-N 3.12Å; S255-A258 PolarHBondContact O-N 3.28Å; A258-E261 PolarHBondContact O-N 2.82Å; A258-R262 WeakPolarHBondContact O-CG 3.49Å; A258-R262 PolarHBondContact O-N 3.44Å
259M92.9Very high91.1Very high30 Ų3065.4 Ų65.415%0.14831%0.311CS..Hα-helixtrans-63.9-40.5173.8-77.8-177.8-85.900112.1L250 S255 L256 K257 R262 Q263 C264 V269 Y273L250-M259 HydrophobicContact CD2-CE 4.39Å; S255-M259 WeakPolarHBondContact O-CE 3.18Å; S255-M259 WeakPolarHBondContact O-CG 3.37Å; S255-M259 PolarHBondContact O-N 2.81Å; L256-M259 HydrophobicContact CD2-CE 3.85Å; K257-M259 PolarHBondContact O-N 2.95Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.74Å; M259-Q263 PolarHBondContact O-N 3.21Å; M259-C264 HydrophobicContact CB-CB 4.05Å; M259-C264 WeakPolarHBondContact O-CB 3.43Å; M259-C264 PolarHBondContact O-N 2.97Å; M259-C264 PolarHBondContact O-SG 3.28Å; M259-V269 HydrophobicContact CB-CG2 4.31Å; M259-V269 HydrophobicContact CE-CG1 4.34Å; M259-V269 HydrophobicContact SD-CG1 4.13Å; M259-V269 HydrophobicContact SD-CG2 3.81Å; M259-Y273 HydrophobicContact CE-CE2 3.84Å; M259-Y273 HydrophobicContact SD-CE2 4.02Å
260R89.8Confident90.7Very high97 Ų9766 Ų6637%0.36631%0.314SS..Hα-helixtrans-61.5-43.2173.2-176.2-166.4-61.7144.8-6.3112.1L256 K257 R262 Q263L256-R260 WeakPolarHBondContact O-CB 3.32Å; L256-R260 PolarHBondContact O-N 3.4Å; L256-R260 VanDerWaalsContact O-N 3.13Å; K257-R260 WeakPolarHBondContact O-CB 3.22Å; K257-R260 PolarHBondContact O-N 2.99Å; R260-R262 VanDerWaalsContact C-N 3.27Å; R260-R262 PolarHBondContact O-N 2.72Å; R260-Q263 PolarHBondContact O-N 3.42Å
261E92.8Very high90.3Very high115 Ų11569 Ų6954%0.53734%0.339SS..Hα-helixtrans-63.4-34177.4-72.6164.1179.700111.8K257 A258 Q263K257-E261 IonicContact NZ-OE1 3.64Å; K257-E261 PolarHBondContact NZ-OE1 3.37Å; K257-E261 WeakPolarHBondContact O-CG 3.36Å; K257-E261 PolarHBondContact O-N 2.86Å; A258-E261 PolarHBondContact O-N 2.82Å; E261-Q263 PolarHBondContact O-N 2.78Å
262R93.8Very high90.1Very high205 Ų20571.9 Ų71.977%0.77435%0.352SS*.THydrogen-bonded Turntrans-798.2172.5-66.6175.3-174.7-175.72.5114.6A258 M259 R260 C264A258-R262 WeakPolarHBondContact O-CG 3.49Å; A258-R262 PolarHBondContact O-N 3.44Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.74Å; R260-R262 VanDerWaalsContact C-N 3.27Å; R260-R262 PolarHBondContact O-N 2.72Å; R262-C264 PolarHBondContact O-N 3.36Å
263Q90.9Very high89.7Confident162 Ų16271.1 Ų71.176%0.75735%0.35SS*.THydrogen-bonded Turntrans60.323.5-178-52.7-58.2-49.700115.3M259 R260 E261 S265M259-Q263 PolarHBondContact O-N 3.21Å; R260-Q263 PolarHBondContact O-N 3.42Å; E261-Q263 PolarHBondContact O-N 2.78Å; Q263-S265 PolarHBondContact O-N 3.02Å
264C90.3Very high89.2Confident51 Ų5172.6 Ų72.635%0.34536%0.36SS..  trans-63.9128.2169.6-55.60000109.7M259 R262 V269M259-C264 HydrophobicContact CB-CB 4.05Å; M259-C264 WeakPolarHBondContact O-CB 3.43Å; M259-C264 PolarHBondContact O-N 2.97Å; M259-C264 PolarHBondContact O-SG 3.28Å; R262-C264 PolarHBondContact O-N 3.36Å; C264-V269 HydrophobicContact CB-CG2 3.98Å
265S87.7Confident88.5Confident47 Ų4779.2 Ų79.233%0.32939%0.386SS..  trans-70.2155.6176.674.70000111.2Q263 Q267 E268 V269Q263-S265 PolarHBondContact O-N 3.02Å; S265-Q267 PolarHBondContact O-N 3.42Å; S265-E268 WeakPolarHBondContact CA-OE2 3.36Å; S265-E268 WeakPolarHBondContact CB-OE2 3.21Å; S265-E268 PolarHBondContact N-OE2 2.95Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 VanDerWaalsContact OG-CG 3.23Å; S265-E268 WeakPolarHBondContact OG-CG 3.47Å; S265-E268 PolarHBondContact OG-N 3.03Å; S265-E268 PolarHBondContact OG-OE2 3.38Å; S265-V269 WeakPolarHBondContact O-CG2 3.45Å; S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.16Å
266R85.6Confident88Confident98 Ų9881.7 Ų81.737%0.3739%0.392SS..Hα-helixtrans-64.3-32.8177.3-64.5-168.8-172.7122.716.8112.1S219 T220 A224 L270S219-R266 PolarHBondContact O-NH1 2.79Å; T220-R266 PolarHBondContact O-NH1 3.29Å; A224-R266 HydrophobicContact CB-CB 4.31Å; R266-L270 VanDerWaalsContact O-CB 3.28Å; R266-L270 WeakPolarHBondContact O-CB 3.28Å; R266-L270 VanDerWaalsContact O-CD1 3.28Å; R266-L270 WeakPolarHBondContact O-CD1 3.44Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 2.76Å
267Q82.9Confident87.6Confident99 Ų9981.2 Ų81.246%0.46339%0.394SS..Hα-helixtrans-66.8-42.4177.4-72.3178.8-2800112.1P218 S265 L270 A271P218-Q267 HydrophobicContact CB-CG 4.34Å; S265-Q267 PolarHBondContact O-N 3.42Å; Q267-L270 PolarHBondContact O-N 3.43Å; Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 2.8Å
268E87.9Confident87.4Confident120 Ų12076.2 Ų76.256%0.56137%0.372SS*.Hα-helixtrans-63.5-44.4175.2-70.3159.2134.500111.7S265 L270 A271 H272S265-E268 WeakPolarHBondContact CA-OE2 3.36Å; S265-E268 WeakPolarHBondContact CB-OE2 3.21Å; S265-E268 PolarHBondContact N-OE2 2.95Å; S265-E268 PolarHBondContact O-N 3.47Å; S265-E268 VanDerWaalsContact OG-CG 3.23Å; S265-E268 WeakPolarHBondContact OG-CG 3.47Å; S265-E268 PolarHBondContact OG-N 3.03Å; S265-E268 PolarHBondContact OG-OE2 3.38Å; E268-L270 PolarHBondContact O-N 2.89Å; E268-A271 PolarHBondContact O-N 3.11Å; E268-H272 WeakPolarHBondContact O-CB 3.42Å; E268-H272 PolarHBondContact O-N 3.47Å
269V89.3Confident87.3Confident15 Ų1576.9 Ų76.99%0.09137%0.37CS..Hα-helixtrans-63.3-42.8176.6179.10000110.8F247 L256 M259 C264 S265 H272 Y273F247-V269 HydrophobicContact CE1-CG1 3.94Å; F247-V269 HydrophobicContact CZ-CG1 4.31Å; L256-V269 HydrophobicContact CD2-CG1 3.85Å; M259-V269 HydrophobicContact CB-CG2 4.31Å; M259-V269 HydrophobicContact CE-CG1 4.34Å; M259-V269 HydrophobicContact SD-CG1 4.13Å; M259-V269 HydrophobicContact SD-CG2 3.81Å; C264-V269 HydrophobicContact CB-CG2 3.98Å; S265-V269 WeakPolarHBondContact O-CG2 3.45Å; S265-V269 PolarHBondContact O-N 3.45Å; S265-V269 VanDerWaalsContact O-N 3.16Å; V269-H272 PolarHBondContact O-N 2.77Å; V269-Y273 HydrophobicContact CG1-CD2 3.87Å; V269-Y273 HydrophobicContact CG1-CE2 4.09Å; V269-Y273 VanDerWaalsContact O-CD2 3.31Å; V269-Y273 WeakPolarHBondContact O-CD2 3.29Å; V269-Y273 PolarHBondContact O-N 3.31Å; V269-Y273 VanDerWaalsContact O-N 3.16Å
270L86.2Confident87.2Confident12 Ų1280.8 Ų80.86%0.06339%0.392CS..Hα-helixtrans-62-46.4175.7-74.2162.1000111.6A224 F227 M228 F247 R266 Q267 E268 H272 Y273 S274A224-L270 HydrophobicContact CB-CD1 4.08Å; F227-L270 HydrophobicContact CD1-CB 4.41Å; F227-L270 HydrophobicContact CD1-CD1 3.87Å; F227-L270 HydrophobicContact CE1-CB 4.24Å; F227-L270 HydrophobicContact CE1-CD1 4.47Å; M228-L270 HydrophobicContact CB-CD2 4.11Å; M228-L270 HydrophobicContact CE-CD2 3.45Å; M228-L270 VanDerWaalsContact CE-CD2 3.45Å; M228-L270 HydrophobicContact CG-CD2 4.09Å; F247-L270 HydrophobicContact CE1-CD2 4.23Å; F247-L270 HydrophobicContact CE2-CD2 4.16Å; F247-L270 HydrophobicContact CZ-CD2 3.75Å; F247-L270 HydrophobicContact CZ-CG 4.39Å; R266-L270 VanDerWaalsContact O-CB 3.28Å; R266-L270 WeakPolarHBondContact O-CB 3.28Å; R266-L270 VanDerWaalsContact O-CD1 3.28Å; R266-L270 WeakPolarHBondContact O-CD1 3.44Å; R266-L270 WeakPolarHBondContact O-CG 3.5Å; R266-L270 PolarHBondContact O-N 2.76Å; Q267-L270 PolarHBondContact O-N 3.43Å; E268-L270 PolarHBondContact O-N 2.89Å; L270-H272 PolarHBondContact O-N 3.45Å; L270-Y273 PolarHBondContact O-N 3.19Å; L270-S274 WeakPolarHBondContact O-CA 3.28Å; L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.47Å
271A85.4Confident87.4Confident66 Ų6682.2 Ų82.255%0.54541%0.407SS..Hα-helixtrans-63.5-38177.700000112.8Q267 E268 S274Q267-A271 WeakPolarHBondContact O-CB 3.45Å; Q267-A271 PolarHBondContact O-N 2.8Å; E268-A271 PolarHBondContact O-N 3.11Å; A271-S274 PolarHBondContact O-OG 3.26Å; A271-S274 VanDerWaalsContact O-OG 3.1Å
272H88Confident87.4Confident126 Ų12677.2 Ų77.258%0.58338%0.384SS*.Hα-helixtrans-69.7-37.2-180-174.880000113.3E268 V269 L270 R276E268-H272 WeakPolarHBondContact O-CB 3.42Å; E268-H272 PolarHBondContact O-N 3.47Å; V269-H272 PolarHBondContact O-N 2.77Å; L270-H272 PolarHBondContact O-N 3.45Å; H272-R276 PolarHBondContact NE2-NH1 3.4Å; H272-R276 WeakPolarHBondContact O-CD 3.41Å; H272-R276 WeakPolarHBondContact O-CG 3.49Å
273Y88Confident87.5Confident25 Ų2569.7 Ų69.710%0.09836%0.355CS..Hα-helixtrans-99.2-13.5-177.8-66.7-72.6000114.6L243 V246 F247 L250 M259 V269 L270 H275 R276 M282L243-Y273 WeakPolarHBondContact CD1-O 3.39Å; V246-Y273 HydrophobicContact CG1-CD1 4.14Å; V246-Y273 HydrophobicContact CG1-CG 4.46Å; F247-Y273 HydrophobicContact CZ-CD2 4.46Å; L250-Y273 HydrophobicContact CD1-CD1 3.72Å; L250-Y273 HydrophobicContact CD1-CD2 3.64Å; L250-Y273 HydrophobicContact CD1-CE1 3.74Å; L250-Y273 HydrophobicContact CD1-CE2 3.68Å; L250-Y273 HydrophobicContact CD1-CG 3.67Å; L250-Y273 HydrophobicContact CD2-CE1 4.04Å; L250-Y273 HydrophobicContact CD2-CE2 4.33Å; L250-Y273 HydrophobicContact CG-CE1 4.49Å; M259-Y273 HydrophobicContact CE-CE2 3.84Å; M259-Y273 HydrophobicContact SD-CE2 4.02Å; V269-Y273 HydrophobicContact CG1-CD2 3.87Å; V269-Y273 HydrophobicContact CG1-CE2 4.09Å; V269-Y273 VanDerWaalsContact O-CD2 3.31Å; V269-Y273 WeakPolarHBondContact O-CD2 3.29Å; V269-Y273 PolarHBondContact O-N 3.31Å; V269-Y273 VanDerWaalsContact O-N 3.16Å; L270-Y273 PolarHBondContact O-N 3.19Å; Y273-H275 PolarHBondContact O-N 3.48Å; Y273-R276 PolarHBondContact O-N 2.94Å; Y273-R276 VanDerWaalsContact O-N 3.16Å; Y273-M282 HydrophobicContact CD1-CE 3.91Å; Y273-M282 HydrophobicContact CD1-SD 4.4Å; Y273-M282 HydrophobicContact CE1-CE 3.77Å; Y273-M282 HydrophobicContact CE1-SD 4.27Å
274S82.6Confident87.7Confident30 Ų3065.1 Ų65.121%0.2134%0.338CS..THydrogen-bonded Turntrans-55.8-26.4-177.657.10000115.2L270 A271L270-S274 WeakPolarHBondContact O-CA 3.28Å; L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 3.37Å; L270-S274 PolarHBondContact O-OG 3.47Å; A271-S274 PolarHBondContact O-OG 3.26Å; A271-S274 VanDerWaalsContact O-OG 3.1Å
275H77.9Confident87.9Confident155 Ų15568 Ų6872%0.71835%0.347SS*.THydrogen-bonded Turntrans-119.62.4-178-58-60.5000113.6Y273Y273-H275 PolarHBondContact O-N 3.48Å
276R82.6Confident88.3Confident73 Ų7366 Ų6628%0.27533%0.332SS..  trans-90.7120.5176.4-70.2-167.567.4178.22.5110.1H272 Y273 D279 M282H272-R276 PolarHBondContact NE2-NH1 3.4Å; H272-R276 WeakPolarHBondContact O-CD 3.41Å; H272-R276 WeakPolarHBondContact O-CG 3.49Å; Y273-R276 PolarHBondContact O-N 2.94Å; Y273-R276 VanDerWaalsContact O-N 3.16Å; R276-D279 IonicContact CZ-OD2 3.67Å; R276-D279 IonicContact NE-OD2 2.8Å; R276-D279 IonicContact NH2-OD1 2.76Å; R276-D279 PolarHBondContact NH2-OD1 3.42Å; R276-D279 IonicContact NH2-OD2 3.73Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; R276-M282 HydrophobicContact CB-SD 4.35Å
277A82.4Confident88.9Confident27 Ų2761.3 Ų61.322%0.22332%0.315CS..  trans-71.6163.6164.700000109.6D279A277-D279 VanDerWaalsContact C-N 3.34Å; A277-D279 PolarHBondContact O-N 2.9Å
278L86.7Confident89.5Confident9 Ų957.9 Ų57.95%0.04730%0.303CS..  trans-74.690.4173.1-171.161.3000109.7V246 L249 M282 R283 E327V246-L278 HydrophobicContact CG2-CB 4.03Å; V246-L278 HydrophobicContact CG2-CD1 4.49Å; L249-L278 HydrophobicContact CD1-CD1 3.97Å; L249-L278 HydrophobicContact CD1-CD2 3.34Å; L249-L278 HydrophobicContact CD1-CG 4.33Å; L278-M282 HydrophobicContact CD1-CB 4.16Å; L278-M282 HydrophobicContact CD1-CE 4.22Å; L278-R283 VanDerWaalsContact O-CZ 3.32Å; L278-R283 PolarHBondContact O-NH1 3.15Å; L278-R283 PolarHBondContact O-NH2 3.03Å; L278-E327 HydrophobicContact CD2-CB 3.97Å; L278-E327 HydrophobicContact CD2-CG 3.62Å; L278-E327 WeakPolarHBondContact CD2-OE1 3.4Å; L278-E327 WeakPolarHBondContact CD2-OE2 3.26Å
279D89.4Confident89.8Confident52 Ų5253.9 Ų53.928%0.27829%0.286SS..  trans-89.9169.8-178.660.440.1000112.6R276 A277 D281 M282 R283R276-D279 IonicContact CZ-OD2 3.67Å; R276-D279 IonicContact NE-OD2 2.8Å; R276-D279 IonicContact NH2-OD1 2.76Å; R276-D279 PolarHBondContact NH2-OD1 3.42Å; R276-D279 IonicContact NH2-OD2 3.73Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; A277-D279 VanDerWaalsContact C-N 3.34Å; A277-D279 PolarHBondContact O-N 2.9Å; D279-D281 VanDerWaalsContact C-N 3.31Å; D279-D281 PolarHBondContact O-N 3.07Å; D279-D281 PolarHBondContact OD1-N 3.31Å; D279-M282 PolarHBondContact O-N 2.97Å; D279-M282 VanDerWaalsContact OD1-CB 3.32Å; D279-M282 WeakPolarHBondContact OD1-CB 3.28Å; D279-M282 WeakPolarHBondContact OD1-CG 3.48Å; D279-M282 PolarHBondContact OD1-N 3.18Å; D279-R283 PolarHBondContact O-N 3.25Å
280D91.8Very high90.1Very high112 Ų11253.8 Ų53.860%0.59928%0.284SS*.Hα-helixtrans-71.9-26-176-63.6-26.3000112.6R283 T284D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 2.86Å; D280-R283 IonicContact OD1-NH1 3.71Å; D280-R283 PolarHBondContact OD1-NH1 3.45Å; D280-T284 VanDerWaalsContact O-CB 3.23Å; D280-T284 WeakPolarHBondContact O-CB 3.41Å; D280-T284 PolarHBondContact O-N 2.76Å; D280-T284 PolarHBondContact O-OG1 3.3Å
281D92.9Very high90.5Very high127 Ų12754 Ų5468%0.67929%0.285SS*.Hα-helixtrans-64.7-44.1171.2-70-19.5000110.5D279 T284 Q285D279-D281 VanDerWaalsContact C-N 3.31Å; D279-D281 PolarHBondContact O-N 3.07Å; D279-D281 PolarHBondContact OD1-N 3.31Å; D281-T284 PolarHBondContact O-N 3.07Å; D281-Q285 WeakPolarHBondContact O-CB 3.35Å; D281-Q285 PolarHBondContact O-N 3.38Å
282M92.9Very high90.9Very high10 Ų1055.4 Ų55.45%0.04928%0.284CS..Hα-helixtrans-63.6-45.7174.4-75.6179.565.300111.6V246 Y273 R276 L278 D279 T284 Q285 M286V246-M282 HydrophobicContact CG1-CE 3.69Å; Y273-M282 HydrophobicContact CD1-CE 3.91Å; Y273-M282 HydrophobicContact CD1-SD 4.4Å; Y273-M282 HydrophobicContact CE1-CE 3.77Å; Y273-M282 HydrophobicContact CE1-SD 4.27Å; R276-M282 HydrophobicContact CB-SD 4.35Å; L278-M282 HydrophobicContact CD1-CB 4.16Å; L278-M282 HydrophobicContact CD1-CE 4.22Å; D279-M282 PolarHBondContact O-N 2.97Å; D279-M282 VanDerWaalsContact OD1-CB 3.32Å; D279-M282 WeakPolarHBondContact OD1-CB 3.28Å; D279-M282 WeakPolarHBondContact OD1-CG 3.48Å; D279-M282 PolarHBondContact OD1-N 3.18Å; M282-T284 VanDerWaalsContact C-N 3.32Å; M282-T284 PolarHBondContact O-N 2.91Å; M282-Q285 PolarHBondContact O-N 3.11Å; M282-M286 HydrophobicContact CE-CE 4.18Å; M282-M286 WeakPolarHBondContact O-CB 3.42Å; M282-M286 WeakPolarHBondContact O-CG 3.5Å; M282-M286 PolarHBondContact O-N 3.49Å
283R96Very high91.2Very high48 Ų4853.6 Ų53.618%0.18127%0.272CS..Hα-helixtrans-58.8-44.7174.8-68.6-176.6-173.882.516.8111.6L278 D279 D280 M286 A287 E327 I331 L334L278-R283 VanDerWaalsContact O-CZ 3.32Å; L278-R283 PolarHBondContact O-NH1 3.15Å; L278-R283 PolarHBondContact O-NH2 3.03Å; D279-R283 PolarHBondContact O-N 3.25Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-CZ 2.86Å; D280-R283 IonicContact OD1-NH1 3.71Å; D280-R283 PolarHBondContact OD1-NH1 3.45Å; R283-M286 PolarHBondContact O-N 3.2Å; R283-A287 WeakPolarHBondContact O-CB 3.37Å; R283-A287 PolarHBondContact O-N 3.46Å; R283-E327 IonicContact CZ-OE1 3.36Å; R283-E327 IonicContact CZ-OE2 3.95Å; R283-E327 IonicContact NE-OE1 2.77Å; R283-E327 IonicContact NE-OE2 3.48Å; R283-E327 PolarHBondContact NE-OE2 3.18Å; R283-E327 IonicContact NH2-OE1 3.38Å; R283-E327 PolarHBondContact NH2-OE1 2.98Å; R283-E327 IonicContact NH2-OE2 2.72Å; R283-E327 PolarHBondContact NH2-OE2 3.22Å; R283-E327 VanDerWaalsContact NH2-OE2 3.1Å; R283-I331 HydrophobicContact CB-CG1 4.16Å; R283-I331 HydrophobicContact CG-CD1 4.49Å; R283-I331 HydrophobicContact CG-CG1 4.09Å; R283-L334 HydrophobicContact CB-CD2 4.25Å
284T95.8Very high91.5Very high65 Ų6554.3 Ų54.340%0.39928%0.276SS..Hα-helixtrans-65.6-42.7-179.4-58.90000111.9D280 D281 M282 A287 A288D280-T284 VanDerWaalsContact O-CB 3.23Å; D280-T284 WeakPolarHBondContact O-CB 3.41Å; D280-T284 PolarHBondContact O-N 2.76Å; D280-T284 PolarHBondContact O-OG1 3.3Å; D281-T284 PolarHBondContact O-N 3.07Å; M282-T284 VanDerWaalsContact C-N 3.32Å; M282-T284 PolarHBondContact O-N 2.91Å; T284-A287 PolarHBondContact O-N 2.99Å; T284-A288 WeakPolarHBondContact O-CB 3.36Å; T284-A288 PolarHBondContact O-N 3.42Å
285Q94.4Very high91.9Very high112 Ų11259.7 Ų59.752%0.52330%0.298SS..Hα-helixtrans-65-43.4175.2-177.460.864.900111.8D281 M282 A287 A288 D289D281-Q285 WeakPolarHBondContact O-CB 3.35Å; D281-Q285 PolarHBondContact O-N 3.38Å; M282-Q285 PolarHBondContact O-N 3.11Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.32Å; Q285-A288 PolarHBondContact O-N 2.9Å; Q285-D289 PolarHBondContact NE2-OD1 3.03Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.11Å; Q285-D289 PolarHBondContact O-N 2.71Å
286M96.4Very high92.5Very high4 Ų455.4 Ų55.42%0.0230%0.296CS..Hα-helixtrans-64.1-37.7176-68.5-179178.400111.6L249 L250 N253 M282 R283 D289 W290 I331L249-M286 HydrophobicContact CB-CE 3.88Å; L249-M286 HydrophobicContact CB-SD 3.92Å; L250-M286 HydrophobicContact CD2-CE 3.65Å; L250-M286 HydrophobicContact CG-CE 3.8Å; N253-M286 HydrophobicContact CB-CB 4.43Å; N253-M286 HydrophobicContact CB-CG 4.34Å; M282-M286 HydrophobicContact CE-CE 4.18Å; M282-M286 WeakPolarHBondContact O-CB 3.42Å; M282-M286 WeakPolarHBondContact O-CG 3.5Å; M282-M286 PolarHBondContact O-N 3.49Å; R283-M286 PolarHBondContact O-N 3.2Å; M286-D289 PolarHBondContact O-N 2.93Å; M286-W290 PolarHBondContact O-N 3.13Å; M286-I331 HydrophobicContact CB-CD1 4.23Å; M286-I331 HydrophobicContact CB-CG2 3.75Å; M286-I331 HydrophobicContact SD-CD1 3.66Å
287A97.1Very high93Very high0 Ų056.4 Ų56.40%031%0.31CS..Hα-helixtrans-64.9-44174.400000111.6R283 T284 Q285 D289 W290 V291 I331 L334 A335R283-A287 WeakPolarHBondContact O-CB 3.37Å; R283-A287 PolarHBondContact O-N 3.46Å; T284-A287 PolarHBondContact O-N 2.99Å; Q285-A287 VanDerWaalsContact C-N 3.32Å; Q285-A287 PolarHBondContact O-N 3.32Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.27Å; A287-W290 WeakPolarHBondContact O-CA 3.46Å; A287-W290 WeakPolarHBondContact O-CB 3.06Å; A287-W290 PolarHBondContact O-N 3.34Å; A287-V291 WeakPolarHBondContact O-CG2 3.23Å; A287-V291 PolarHBondContact O-N 3.03Å; A287-I331 HydrophobicContact CB-CG2 4.34Å; A287-L334 HydrophobicContact CB-CB 4.06Å; A287-L334 HydrophobicContact CB-CD2 3.88Å; A287-L334 HydrophobicContact CB-CG 3.84Å; A287-A335 HydrophobicContact CB-CB 4.01Å; A287-A335 WeakPolarHBondContact O-CB 3.49Å
288A95.1Very high93.5Very high27 Ų2759.1 Ų59.122%0.22333%0.332CS..Hα-helixtrans-61-38.2175.300000112.3T284 Q285 W290 V291 N292T284-A288 WeakPolarHBondContact O-CB 3.36Å; T284-A288 PolarHBondContact O-N 3.42Å; Q285-A288 PolarHBondContact O-N 2.9Å; A288-W290 VanDerWaalsContact C-N 3.26Å; A288-W290 PolarHBondContact O-N 3.26Å; A288-V291 PolarHBondContact O-N 3.32Å; A288-N292 VanDerWaalsContact O-CG 3.28Å; A288-N292 PolarHBondContact O-N 3.41Å; A288-N292 PolarHBondContact O-ND2 3.31Å
289D94.8Very high93.9Very high36 Ų3659.8 Ų59.819%0.19334%0.341CS..Hα-helixtrans-60.9-34.3173.1-68.6-8.1000112N253 S255 Q285 M286 A287 R293N253-D289 PolarHBondContact ND2-OD2 2.91Å; S255-D289 PolarHBondContact OG-OD2 2.9Å; Q285-D289 PolarHBondContact NE2-OD1 3.03Å; Q285-D289 VanDerWaalsContact NE2-OD1 3.11Å; Q285-D289 PolarHBondContact O-N 2.71Å; M286-D289 PolarHBondContact O-N 2.93Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.34Å
290W95.9Very high94.2Very high14 Ų1458.8 Ų58.85%0.05334%0.337CS..Hα-helixtrans-74.3-41.1173.3-78.4110.5000113W252 M286 A287 A288 N292 R293 E294 T300 I301 E304 L332 A335W252-W290 HydrophobicContact CD2-CZ2 4.17Å; W252-W290 AromaticContact CE2-CZ2 3.48Å; W252-W290 VanDerWaalsContact CE2-CZ2 3.48Å; W252-W290 AromaticContact CH2-CE2 3.8Å; W252-W290 HydrophobicContact CH2-CZ2 4.09Å; W252-W290 AromaticContact CH2-NE1 3.15Å; W252-W290 AromaticContact CZ2-CE2 3.61Å; W252-W290 HydrophobicContact CZ2-CH2 4.45Å; W252-W290 AromaticContact CZ2-CZ2 3.45Å; W252-W290 HydrophobicContact CZ2-CZ2 3.45Å; W252-W290 VanDerWaalsContact CZ2-CZ2 3.45Å; W252-W290 AromaticContact CZ2-NE1 3.48Å; W252-W290 AromaticContact CZ3-NE1 3.51Å; W252-W290 AromaticContact NE1-CZ2 3.73Å; M286-W290 PolarHBondContact O-N 3.13Å; A287-W290 WeakPolarHBondContact O-CA 3.46Å; A287-W290 WeakPolarHBondContact O-CB 3.06Å; A287-W290 PolarHBondContact O-N 3.34Å; A288-W290 VanDerWaalsContact C-N 3.26Å; A288-W290 PolarHBondContact O-N 3.26Å; W290-N292 VanDerWaalsContact C-N 3.29Å; W290-N292 PolarHBondContact O-N 3.42Å; W290-R293 WeakPolarHBondContact O-CB 3.33Å; W290-R293 PolarHBondContact O-N 3.38Å; W290-E294 PolarHBondContact O-N 3.48Å; W290-T300 HydrophobicContact CE3-CG2 4.21Å; W290-T300 HydrophobicContact CZ3-CG2 3.83Å; W290-I301 HydrophobicContact CB-CD1 4.25Å; W290-I301 HydrophobicContact CB-CG1 4.24Å; W290-E304 HydrophobicContact CH2-CB 4.2Å; W290-E304 HydrophobicContact CH2-CG 3.69Å; W290-E304 HydrophobicContact CZ2-CG 4.03Å; W290-E304 HydrophobicContact CZ3-CB 4.16Å; W290-E304 HydrophobicContact CZ3-CG 4.14Å; W290-L332 HydrophobicContact CD2-CD2 3.91Å; W290-L332 HydrophobicContact CE3-CD2 4.33Å; W290-L332 HydrophobicContact CG-CD2 4.06Å; W290-A335 HydrophobicContact CB-CB 3.98Å
291V95.4Very high94.4Very high16 Ų1653.6 Ų53.610%0.09731%0.31CS..Hα-helixtrans-55.9-44.7172.8171.70000110.9A287 A288 R293 E294 Q295 A335 Q338 L339A287-V291 WeakPolarHBondContact O-CG2 3.23Å; A287-V291 PolarHBondContact O-N 3.03Å; A288-V291 PolarHBondContact O-N 3.32Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 2.92Å; V291-E294 PolarHBondContact O-N 2.66Å; V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 3.06Å; V291-A335 HydrophobicContact CG2-CB 3.96Å; V291-Q338 HydrophobicContact CG2-CB 3.97Å; V291-L339 HydrophobicContact CG1-CD2 3.91Å; V291-L339 HydrophobicContact CG1-CG 4.32Å; V291-L339 HydrophobicContact CG2-CG 4.22Å
292N93.3Very high94.6Very high96 Ų9650.7 Ų50.751%0.51330%0.303SS..Hα-helixtrans-63.2-28.9176.7-70.3-39.5000113.2A288 W290A288-N292 VanDerWaalsContact O-CG 3.28Å; A288-N292 PolarHBondContact O-N 3.41Å; A288-N292 PolarHBondContact O-ND2 3.31Å; W290-N292 VanDerWaalsContact C-N 3.29Å; W290-N292 PolarHBondContact O-N 3.42Å
293R93.7Very high94.8Very high88 Ų8856.8 Ų56.833%0.33233%0.331SS..Hα-helixtrans-74-41.8173.9-73.4175.2177.5132.819.5112.7N253 D289 W290 V291 Q295 G296 V297 T300N253-R293 VanDerWaalsContact O-CZ 3.27Å; N253-R293 PolarHBondContact O-NH1 2.88Å; N253-R293 PolarHBondContact O-NH2 2.84Å; D289-R293 WeakPolarHBondContact O-CG 3.47Å; D289-R293 PolarHBondContact O-N 3.34Å; W290-R293 WeakPolarHBondContact O-CB 3.33Å; W290-R293 PolarHBondContact O-N 3.38Å; V291-R293 VanDerWaalsContact C-N 3.26Å; V291-R293 PolarHBondContact O-N 2.92Å; R293-Q295 PolarHBondContact O-N 3.29Å; R293-G296 WeakPolarHBondContact O-CA 3.36Å; R293-G296 PolarHBondContact O-N 3.15Å; R293-V297 PolarHBondContact O-N 3.18Å; R293-T300 HydrophobicContact CB-CG2 4.24Å
294E94.3Very high94.8Very high39 Ų3956.6 Ų56.618%0.18233%0.332CS..Hα-helixtrans-59.1-37.8178.1-169.666.3-16600111.5W290 V291 G296 V297 A298 G299 T300 I301 L339W290-E294 PolarHBondContact O-N 3.48Å; V291-E294 PolarHBondContact O-N 2.66Å; E294-G296 VanDerWaalsContact C-N 3.28Å; E294-G296 PolarHBondContact O-N 3.4Å; E294-V297 CarbonylContact O-C 3.25Å; E294-V297 VanDerWaalsContact O-C 3.25Å; E294-V297 PolarHBondContact O-N 2.88Å; E294-A298 PolarHBondContact O-N 3.41Å; E294-G299 WeakPolarHBondContact OE1-CA 3.43Å; E294-G299 PolarHBondContact OE1-N 3.22Å; E294-T300 WeakPolarHBondContact OE2-CA 3.27Å; E294-T300 PolarHBondContact OE2-N 2.99Å; E294-I301 HydrophobicContact CB-CD1 3.79Å; E294-I301 HydrophobicContact CB-CG1 4.13Å; E294-I301 HydrophobicContact CG-CD1 4.19Å; E294-I301 PolarHBondContact OE2-N 3.37Å; E294-L339 HydrophobicContact CB-CD1 4.2Å; E294-L339 HydrophobicContact CG-CD1 3.83Å
295Q90.6Very high94.9Very high143 Ų14354.7 Ų54.767%0.66832%0.321SS*.Hα-helixtrans-62.8-30.9173.7-67.8174.51600113.4V291 R293V291-Q295 WeakPolarHBondContact O-CG 3.26Å; V291-Q295 PolarHBondContact O-N 3.06Å; R293-Q295 PolarHBondContact O-N 3.29Å
296G91.6Very high95.1Very high65 Ų6552.4 Ų52.467%0.6732%0.321SS*.Hα-helixtrans-84.5-37.8176.600000113.5R293 E294R293-G296 WeakPolarHBondContact O-CA 3.36Å; R293-G296 PolarHBondContact O-N 3.15Å; E294-G296 VanDerWaalsContact C-N 3.28Å; E294-G296 PolarHBondContact O-N 3.4Å
297V93.2Very high95.1Very high94 Ų9453.5 Ų53.557%0.5733%0.331SS*.SBendtrans-141.1101.5179.7-178.70000109.1R293 E294 T300R293-V297 PolarHBondContact O-N 3.18Å; E294-V297 CarbonylContact O-C 3.25Å; E294-V297 VanDerWaalsContact O-C 3.25Å; E294-V297 PolarHBondContact O-N 2.88Å; V297-T300 WeakPolarHBondContact CB-OG1 3.46Å; V297-T300 WeakPolarHBondContact O-CB 3.25Å; V297-T300 PolarHBondContact O-N 3.33Å; V297-T300 PolarHBondContact O-OG1 2.84Å
298A93.2Very high95.2Very high84 Ų8453.6 Ų53.669%0.69433%0.331SS*.THydrogen-bonded Turntrans-62.3143.2178.100000112.2E294E294-A298 PolarHBondContact O-N 3.41Å
299G93.9Very high95.3Very high24 Ų2455.2 Ų55.225%0.24734%0.336CS..THydrogen-bonded Turntrans83.81.9-174.700000114.8E294 A302 Q303E294-G299 WeakPolarHBondContact OE1-CA 3.43Å; E294-G299 PolarHBondContact OE1-N 3.22Å; G299-A302 PolarHBondContact O-N 2.67Å; G299-Q303 WeakPolarHBondContact O-CB 3.49Å; G299-Q303 VanDerWaalsContact O-CG 3.24Å; G299-Q303 WeakPolarHBondContact O-CG 3.41Å; G299-Q303 PolarHBondContact O-N 2.59Å
300T95.8Very high95.4Very high31 Ų3160.2 Ų60.219%0.1935%0.352CS..Hα-helixtrans-64.2-47.7-179.5-66.80000111.6W290 R293 E294 V297 Q303 E304W290-T300 HydrophobicContact CE3-CG2 4.21Å; W290-T300 HydrophobicContact CZ3-CG2 3.83Å; R293-T300 HydrophobicContact CB-CG2 4.24Å; E294-T300 WeakPolarHBondContact OE2-CA 3.27Å; E294-T300 PolarHBondContact OE2-N 2.99Å; V297-T300 WeakPolarHBondContact CB-OG1 3.46Å; V297-T300 WeakPolarHBondContact O-CB 3.25Å; V297-T300 PolarHBondContact O-N 3.33Å; V297-T300 PolarHBondContact O-OG1 2.84Å; T300-Q303 PolarHBondContact O-N 2.77Å; T300-E304 PolarHBondContact O-N 3.39Å
301I96.4Very high95.5Very high3 Ų362.2 Ų62.22%0.01536%0.362CS..Hα-helixtrans-64.8-42.7178.3-65.9174.5000110.2W290 E294 Q303 E304 V305 L332 A335 V336 L339W290-I301 HydrophobicContact CB-CD1 4.25Å; W290-I301 HydrophobicContact CB-CG1 4.24Å; E294-I301 HydrophobicContact CB-CD1 3.79Å; E294-I301 HydrophobicContact CB-CG1 4.13Å; E294-I301 HydrophobicContact CG-CD1 4.19Å; E294-I301 PolarHBondContact OE2-N 3.37Å; I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.95Å; I301-E304 PolarHBondContact O-N 3.03Å; I301-V305 HydrophobicContact CG2-CG2 4.18Å; I301-V305 WeakPolarHBondContact O-CB 3.49Å; I301-V305 VanDerWaalsContact O-CG2 3.28Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 3.16Å; I301-L332 HydrophobicContact CG2-CD2 4.3Å; I301-A335 HydrophobicContact CD1-CB 3.93Å; I301-V336 HydrophobicContact CG2-CG2 3.64Å; I301-L339 HydrophobicContact CD1-CD1 3.65Å
302A96.3Very high95.5Very high65 Ų6561.7 Ų61.754%0.53736%0.359SS..Hα-helixtrans-61.5-39.9178.600000112.5G299 A306G299-A302 PolarHBondContact O-N 2.67Å; A302-A306 PolarHBondContact O-N 3.41Å
303Q97Very high95.7Very high139 Ų13960.5 Ų60.565%0.6535%0.35SS*.Hα-helixtrans-65.6-45.3174-72.91723500111.9G299 T300 I301 A306 A307G299-Q303 WeakPolarHBondContact O-CB 3.49Å; G299-Q303 VanDerWaalsContact O-CG 3.24Å; G299-Q303 WeakPolarHBondContact O-CG 3.41Å; G299-Q303 PolarHBondContact O-N 2.59Å; T300-Q303 PolarHBondContact O-N 2.77Å; I301-Q303 VanDerWaalsContact C-N 3.33Å; I301-Q303 PolarHBondContact O-N 2.95Å; Q303-A306 PolarHBondContact O-N 2.79Å; Q303-A307 PolarHBondContact O-N 3.35Å
304E97.6Very high95.8Very high43 Ų4360.6 Ų60.620%0.20135%0.354CS..Hα-helixtrans-69.3-33.7-179.8-171.762-148.300112.3W252 W290 T300 I301 A307 T308 K328 L332W252-E304 HydrophobicContact CZ2-CG 3.89Å; W252-E304 PolarHBondContact NE1-OE1 3.24Å; W290-E304 HydrophobicContact CH2-CB 4.2Å; W290-E304 HydrophobicContact CH2-CG 3.69Å; W290-E304 HydrophobicContact CZ2-CG 4.03Å; W290-E304 HydrophobicContact CZ3-CB 4.16Å; W290-E304 HydrophobicContact CZ3-CG 4.14Å; T300-E304 PolarHBondContact O-N 3.39Å; I301-E304 PolarHBondContact O-N 3.03Å; E304-A307 PolarHBondContact O-N 3.05Å; E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 2.82Å; E304-K328 WeakPolarHBondContact OE1-CE 3.24Å; E304-K328 IonicContact OE1-NZ 3.01Å; E304-K328 PolarHBondContact OE1-NZ 2.99Å; E304-L332 HydrophobicContact CB-CD1 4.33Å; E304-L332 HydrophobicContact CB-CD2 4.09Å; E304-L332 HydrophobicContact CG-CD1 3.84Å; E304-L332 HydrophobicContact CG-CD2 3.9Å; E304-L332 HydrophobicContact CG-CG 4.49Å
305V97.4Very high95.9Very high26 Ų2658.7 Ų58.716%0.15835%0.346CS..Hα-helixtrans-61.1-48.7171.5168.30000110.3I301 A307 T308 D309 L332I301-V305 HydrophobicContact CG2-CG2 4.18Å; I301-V305 WeakPolarHBondContact O-CB 3.49Å; I301-V305 VanDerWaalsContact O-CG2 3.28Å; I301-V305 WeakPolarHBondContact O-CG2 3.3Å; I301-V305 PolarHBondContact O-N 3.16Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 2.86Å; V305-T308 PolarHBondContact O-N 2.95Å; V305-D309 PolarHBondContact O-N 3.22Å; V305-L332 HydrophobicContact CG2-CB 3.61Å; V305-L332 HydrophobicContact CG2-CD1 3.9Å; V305-L332 HydrophobicContact CG2-CG 4.24Å
306A97.8Very high96.1Very high64 Ų6452.5 Ų52.553%0.52932%0.316SS..Hα-helixtrans-63.1-37.9177.900000112.7A302 Q303 R310A302-A306 PolarHBondContact O-N 3.41Å; Q303-A306 PolarHBondContact O-N 2.79Å; A306-R310 PolarHBondContact O-N 2.86Å
307A97.8Very high96.2Very high27 Ų2753.8 Ų53.822%0.22331%0.307CS..Hα-helixtrans-64.4-46.6173.100000111.6Q303 E304 V305 D309 R310 E311Q303-A307 PolarHBondContact O-N 3.35Å; E304-A307 PolarHBondContact O-N 3.05Å; V305-A307 VanDerWaalsContact C-N 3.34Å; V305-A307 PolarHBondContact O-N 2.86Å; A307-D309 PolarHBondContact O-N 2.96Å; A307-R310 PolarHBondContact O-N 3.05Å; A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.16Å
308T97.8Very high96.1Very high1 Ų150.8 Ų50.81%0.00629%0.292CS..Hα-helixtrans-62.4-41.6179.6-58.10000112.1E304 V305 R310 E311 L312 H325 K328 K329 L332E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.43Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 2.82Å; V305-T308 PolarHBondContact O-N 2.95Å; T308-R310 VanDerWaalsContact C-N 3.35Å; T308-R310 PolarHBondContact O-N 3.48Å; T308-E311 PolarHBondContact O-N 3.24Å; T308-L312 VanDerWaalsContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 PolarHBondContact O-N 2.77Å; T308-H325 WeakPolarHBondContact CG2-O 3.42Å; T308-K328 HydrophobicContact CG2-CB 3.61Å; T308-K328 HydrophobicContact CG2-CD 4.47Å; T308-K328 WeakPolarHBondContact OG1-CE 3.37Å; T308-K328 PolarHBondContact OG1-NZ 3.05Å; T308-K329 HydrophobicContact CG2-CB 3.96Å; T308-L332 WeakPolarHBondContact OG1-CD1 3.38Å
309D96.8Very high95.9Very high61 Ų6147.1 Ų47.133%0.32626%0.263SS..Hα-helixtrans-64.6-39.1177.5-92.6-28.3000112.3V305 A307 E313 K329V305-D309 PolarHBondContact O-N 3.22Å; A307-D309 PolarHBondContact O-N 2.96Å; D309-E313 WeakPolarHBondContact O-CB 3.22Å; D309-E313 PolarHBondContact O-N 3.49Å; D309-K329 WeakPolarHBondContact OD1-CD 3.45Å; D309-K329 WeakPolarHBondContact OD1-CE 3.48Å; D309-K329 IonicContact OD1-NZ 2.84Å; D309-K329 PolarHBondContact OD1-NZ 3.07Å; D309-K329 IonicContact OD2-NZ 3.17Å; D309-K329 PolarHBondContact OD2-NZ 3.47Å
310R97.6Very high95.8Very high141 Ų14148.7 Ų48.753%0.53226%0.261SS..Hα-helixtrans-65.3-46.8173.3-177.2178.163.484.41111.6A306 A307 T308 L312 E313 E314A306-R310 PolarHBondContact O-N 2.86Å; A307-R310 PolarHBondContact O-N 3.05Å; T308-R310 VanDerWaalsContact C-N 3.35Å; T308-R310 PolarHBondContact O-N 3.48Å; R310-L312 VanDerWaalsContact C-N 3.35Å; R310-L312 PolarHBondContact O-N 3.05Å; R310-E313 PolarHBondContact O-N 3.36Å; R310-E314 HydrophobicContact CG-CG 4.48Å; R310-E314 VanDerWaalsContact CG-OE1 3.25Å; R310-E314 WeakPolarHBondContact CG-OE1 3.28Å; R310-E314 IonicContact CZ-OE1 3.94Å; R310-E314 IonicContact NH1-OE1 3.98Å; R310-E314 PolarHBondContact NH1-OE1 2.91Å; R310-E314 IonicContact NH1-OE2 2.85Å; R310-E314 WeakPolarHBondContact O-CB 3.43Å; R310-E314 WeakPolarHBondContact O-CG 3.44Å; R310-E314 PolarHBondContact O-N 3.21Å
311E97.3Very high95.6Very high56 Ų5649.1 Ų49.126%0.26226%0.261SS..Hα-helixtrans-60.6-42177.4-72.1173.4175.500112.4A307 T308 A315 H325 K328A307-E311 WeakPolarHBondContact O-CG 3.33Å; A307-E311 PolarHBondContact O-N 3.16Å; T308-E311 PolarHBondContact O-N 3.24Å; E311-A315 VanDerWaalsContact O-CB 3.24Å; E311-A315 WeakPolarHBondContact O-CB 3.3Å; E311-A315 PolarHBondContact O-N 3.32Å; E311-H325 IonicContact OE2-ND1 2.72Å; E311-K328 IonicContact OE1-NZ 3.76Å; E311-K328 IonicContact OE2-NZ 3.89Å; E311-K328 PolarHBondContact OE2-NZ 3.22Å
312L96.8Very high95.6Very high5 Ų549 Ų493%0.02626%0.26CS..Hα-helixtrans-61.8-45.1176.7176.659.3000111.3Y149 T308 R310 A315 R316 L322 H325 K326 K329Y149-L312 HydrophobicContact CE1-CD1 4.41Å; T308-L312 VanDerWaalsContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CB 3.31Å; T308-L312 PolarHBondContact O-N 2.77Å; R310-L312 VanDerWaalsContact C-N 3.35Å; R310-L312 PolarHBondContact O-N 3.05Å; L312-A315 PolarHBondContact O-N 3.02Å; L312-R316 VanDerWaalsContact O-CB 3.23Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 PolarHBondContact O-N 2.89Å; L312-L322 HydrophobicContact CD1-CB 4.09Å; L312-L322 HydrophobicContact CD1-CD1 4.32Å; L312-L322 HydrophobicContact CD1-CD2 4.38Å; L312-H325 HydrophobicContact CB-CB 3.93Å; L312-H325 HydrophobicContact CD1-CB 3.72Å; L312-H325 HydrophobicContact CG-CB 4.39Å; L312-K326 HydrophobicContact CD1-CG 4.29Å; L312-K329 HydrophobicContact CD2-CD 4.48Å
313E96Very high95.5Very high72 Ų7246.5 Ų46.534%0.33624%0.237SC..Hα-helixtrans-66.6-45.2178.3178.563.4-177.300111.8D309 R310 A315 R316 L317D309-E313 WeakPolarHBondContact O-CB 3.22Å; D309-E313 PolarHBondContact O-N 3.49Å; R310-E313 PolarHBondContact O-N 3.36Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 2.88Å; E313-R316 PolarHBondContact O-N 3.5Å; E313-R316 IonicContact OE1-CZ 3.1Å; E313-R316 IonicContact OE1-NE 3.84Å; E313-R316 IonicContact OE1-NH2 2.79Å; E313-R316 PolarHBondContact OE1-NH2 3.42Å; E313-R316 IonicContact OE2-CZ 3.64Å; E313-R316 IonicContact OE2-NE 3.95Å; E313-R316 PolarHBondContact OE2-NE 3.37Å; E313-R316 IonicContact OE2-NH2 2.65Å; E313-R316 PolarHBondContact OE2-NH2 2.96Å; E313-L317 HydrophobicContact CG-CD1 4.21Å; E313-L317 WeakPolarHBondContact O-CG 3.48Å; E313-L317 PolarHBondContact O-N 2.87Å
314E96.5Very high95.4Very high89 Ų8941.1 Ų41.142%0.41621%0.211SC..Hα-helixtrans-59.8-39.5173.9-73.7173.5-16300111.8R310 A318R310-E314 HydrophobicContact CG-CG 4.48Å; R310-E314 VanDerWaalsContact CG-OE1 3.25Å; R310-E314 WeakPolarHBondContact CG-OE1 3.28Å; R310-E314 IonicContact CZ-OE1 3.94Å; R310-E314 IonicContact NH1-OE1 3.98Å; R310-E314 PolarHBondContact NH1-OE1 2.91Å; R310-E314 IonicContact NH1-OE2 2.85Å; R310-E314 WeakPolarHBondContact O-CB 3.43Å; R310-E314 WeakPolarHBondContact O-CG 3.44Å; R310-E314 PolarHBondContact O-N 3.21Å; E314-A318 WeakPolarHBondContact O-CB 3.18Å; E314-A318 PolarHBondContact O-N 2.86Å
315A95.6Very high95.4Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-69.4-41.5175.700000112.7E311 L312 E313 A318 G319 R320 L322E311-A315 VanDerWaalsContact O-CB 3.24Å; E311-A315 WeakPolarHBondContact O-CB 3.3Å; E311-A315 PolarHBondContact O-N 3.32Å; L312-A315 PolarHBondContact O-N 3.02Å; E313-A315 VanDerWaalsContact C-N 3.3Å; E313-A315 PolarHBondContact O-N 2.88Å; A315-A318 CarbonylContact O-C 2.96Å; A315-A318 PolarHBondContact O-N 3.46Å; A315-G319 PolarHBondContact O-N 3.03Å; A315-R320 VanDerWaalsContact CA-CZ 3.49Å; A315-R320 VanDerWaalsContact CA-NH2 3.34Å; A315-R320 HydrophobicContact CB-CB 4.24Å; A315-R320 WeakPolarHBondContact O-CB 3.49Å; A315-R320 PolarHBondContact O-N 3.07Å; A315-L322 HydrophobicContact CB-CD2 3.55Å
316R96.2Very high95.3Very high13 Ų1339.5 Ų39.55%0.04920%0.202CC..Hα-helixtrans-61.6-48.9177.7-178.2-173.371.880.9-8.6111.6Y149 S160 F161 L312 E313 A318 G319 L322Y149-R316 HydrophobicContact CE1-CG 4.27Å; S160-R316 WeakPolarHBondContact O-CD 3.4Å; S160-R316 WeakPolarHBondContact O-CG 3.46Å; S160-R316 PolarHBondContact O-NH1 3.06Å; F161-R316 WeakPolarHBondContact CA-O 3.5Å; F161-R316 WeakPolarHBondContact CB-O 3.47Å; L312-R316 VanDerWaalsContact O-CB 3.23Å; L312-R316 WeakPolarHBondContact O-CB 3.48Å; L312-R316 PolarHBondContact O-N 2.89Å; E313-R316 PolarHBondContact O-N 3.5Å; E313-R316 IonicContact OE1-CZ 3.1Å; E313-R316 IonicContact OE1-NE 3.84Å; E313-R316 IonicContact OE1-NH2 2.79Å; E313-R316 PolarHBondContact OE1-NH2 3.42Å; E313-R316 IonicContact OE2-CZ 3.64Å; E313-R316 IonicContact OE2-NE 3.95Å; E313-R316 PolarHBondContact OE2-NE 3.37Å; E313-R316 IonicContact OE2-NH2 2.65Å; E313-R316 PolarHBondContact OE2-NH2 2.96Å; R316-A318 VanDerWaalsContact C-N 3.29Å; R316-A318 PolarHBondContact O-N 3.27Å; R316-G319 PolarHBondContact O-N 2.93Å; R316-L322 HydrophobicContact CB-CD1 4.08Å; R316-L322 HydrophobicContact CB-CD2 4.32Å; R316-L322 HydrophobicContact CG-CD1 4.27Å
317L92.5Very high95.2Very high91 Ų9137.4 Ų37.448%0.47618%0.181SC..Hα-helixtrans-66.4-31.9179.7-68.1175.5000112.3E313 G319E313-L317 HydrophobicContact CG-CD1 4.21Å; E313-L317 WeakPolarHBondContact O-CG 3.48Å; E313-L317 PolarHBondContact O-N 2.87Å; L317-G319 PolarHBondContact O-N 3.29Å
318A92Very high95.1Very high32 Ų3236.3 Ų36.326%0.26417%0.171SC..THydrogen-bonded Turntrans-78.82.7172.100000114.2E314 A315 R316 R320E314-A318 WeakPolarHBondContact O-CB 3.18Å; E314-A318 PolarHBondContact O-N 2.86Å; A315-A318 CarbonylContact O-C 2.96Å; A315-A318 PolarHBondContact O-N 3.46Å; R316-A318 VanDerWaalsContact C-N 3.29Å; R316-A318 PolarHBondContact O-N 3.27Å; A318-R320 HydrophobicContact CB-CG 3.82Å; A318-R320 PolarHBondContact O-N 3.21Å
319G89.2Confident95.1Very high7 Ų739 Ų397%0.07218%0.183CC..THydrogen-bonded Turntrans66.122.8178.800000114.6A315 R316 L317A315-G319 PolarHBondContact O-N 3.03Å; R316-G319 PolarHBondContact O-N 2.93Å; L317-G319 PolarHBondContact O-N 3.29Å
320R91.4Very high95.1Very high57 Ų5739.4 Ų39.422%0.21519%0.185CC..  trans-75.9168.7-177.3-51.9-160.9-78.8-101.85.6111.9F76 A315 A318 L322F76-R320 HydrophobicContact CD1-CB 4.34Å; F76-R320 HydrophobicContact CD1-CG 3.37Å; F76-R320 HydrophobicContact CE1-CB 3.84Å; F76-R320 HydrophobicContact CE1-CG 3.36Å; F76-R320 HydrophobicContact CG-CG 4.4Å; F76-R320 HydrophobicContact CZ-CG 4.34Å; A315-R320 VanDerWaalsContact CA-CZ 3.49Å; A315-R320 VanDerWaalsContact CA-NH2 3.34Å; A315-R320 HydrophobicContact CB-CB 4.24Å; A315-R320 WeakPolarHBondContact O-CB 3.49Å; A315-R320 PolarHBondContact O-N 3.07Å; A318-R320 HydrophobicContact CB-CG 3.82Å; A318-R320 PolarHBondContact O-N 3.21Å; R320-L322 WeakPolarHBondContact O-CD2 3.12Å; R320-L322 WeakPolarHBondContact O-CG 3.43Å
321E92.3Very high95.1Very high39 Ų3932.7 Ų32.718%0.18216%0.16CC..  trans-63.1136.6162.3-155.3-61129.700108.8S156 C157 F158 R323S156-E321 WeakPolarHBondContact CA-OE1 3.34Å; C157-E321 PolarHBondContact N-OE1 3.04Å; F158-E321 HydrophobicContact CE1-CB 4.22Å; F158-E321 HydrophobicContact CE1-CG 4.3Å; F158-E321 HydrophobicContact CZ-CG 4.29Å; E321-R323 VanDerWaalsContact CD-N 3.28Å; E321-R323 WeakPolarHBondContact OE1-CB 3.31Å; E321-R323 PolarHBondContact OE1-N 3.16Å; E321-R323 WeakPolarHBondContact OE2-CB 3.28Å; E321-R323 PolarHBondContact OE2-N 3.34Å
322L95.5Very high95.1Very high0 Ų030 Ų300%015%0.147CC..  trans-118.7-3.2-170.2-52.3-176.6000114.4Y149 C157 L312 A315 R316 R320 F324 H325 K326Y149-L322 HydrophobicContact CD1-CD1 3.75Å; Y149-L322 HydrophobicContact CE1-CD1 3.73Å; C157-L322 HydrophobicContact CB-CB 4.26Å; C157-L322 PolarHBondContact O-N 3.22Å; L312-L322 HydrophobicContact CD1-CB 4.09Å; L312-L322 HydrophobicContact CD1-CD1 4.32Å; L312-L322 HydrophobicContact CD1-CD2 4.38Å; A315-L322 HydrophobicContact CB-CD2 3.55Å; R316-L322 HydrophobicContact CB-CD1 4.08Å; R316-L322 HydrophobicContact CB-CD2 4.32Å; R316-L322 HydrophobicContact CG-CD1 4.27Å; R320-L322 WeakPolarHBondContact O-CD2 3.12Å; R320-L322 WeakPolarHBondContact O-CG 3.43Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 3.35Å; L322-H325 PolarHBondContact O-N 3.23Å; L322-H325 VanDerWaalsContact O-N 3.16Å; L322-K326 PolarHBondContact O-N 2.97Å
323R94.2Very high95.1Very high14 Ų1434.3 Ų34.35%0.05317%0.168CC..Hα-helixtrans-57.4-46.6-175.4-177-171.2-171.9165.91.2111.1G154 G155 C157 E242 T245 E321 H325 K326 E327G154-R323 PolarHBondContact O-NH1 3.32Å; G155-R323 WeakPolarHBondContact O-CD 3.43Å; G155-R323 WeakPolarHBondContact O-CG 3.33Å; C157-R323 HydrophobicContact CB-CB 4.29Å; E242-R323 IonicContact OE1-CZ 3.68Å; E242-R323 IonicContact OE1-NH1 3.89Å; E242-R323 PolarHBondContact OE1-NH1 2.99Å; E242-R323 IonicContact OE1-NH2 2.94Å; E242-R323 PolarHBondContact OE1-NH2 2.8Å; T245-R323 HydrophobicContact CG2-CG 4.15Å; E321-R323 VanDerWaalsContact CD-N 3.28Å; E321-R323 WeakPolarHBondContact OE1-CB 3.31Å; E321-R323 PolarHBondContact OE1-N 3.16Å; E321-R323 WeakPolarHBondContact OE2-CB 3.28Å; E321-R323 PolarHBondContact OE2-N 3.34Å; R323-H325 VanDerWaalsContact C-N 3.33Å; R323-H325 PolarHBondContact O-N 3.48Å; R323-K326 PolarHBondContact O-N 2.94Å; R323-E327 HydrophobicContact CG-CG 3.98Å; R323-E327 WeakPolarHBondContact O-CB 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.31Å; R323-E327 PolarHBondContact O-N 3.35Å
324F95.5Very high95.2Very high25 Ų2534 Ų3411%0.1117%0.169CC..Hα-helixtrans-55.6-46.8177.5172.9-112.4000112.5T245 Q248 L249 W252 L322 K328T245-F324 HydrophobicContact CG2-CB 4.37Å; Q248-F324 HydrophobicContact CB-CD2 3.65Å; Q248-F324 HydrophobicContact CB-CE2 3.53Å; Q248-F324 HydrophobicContact CB-CG 4.45Å; Q248-F324 HydrophobicContact CB-CZ 4.24Å; L249-F324 HydrophobicContact CD2-CD2 3.89Å; L249-F324 HydrophobicContact CD2-CE2 3.78Å; L249-F324 HydrophobicContact CG-CD2 3.98Å; L249-F324 HydrophobicContact CG-CE2 4.05Å; W252-F324 HydrophobicContact CB-CZ 4.34Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 3.35Å; F324-K328 HydrophobicContact CD1-CD 4.37Å; F324-K328 HydrophobicContact CD2-CG 4.48Å; F324-K328 HydrophobicContact CE1-CD 3.66Å; F324-K328 HydrophobicContact CE1-CG 4.37Å; F324-K328 HydrophobicContact CE2-CD 4.08Å; F324-K328 HydrophobicContact CE2-CG 4.01Å; F324-K328 HydrophobicContact CZ-CD 3.5Å; F324-K328 VanDerWaalsContact CZ-CD 3.5Å; F324-K328 HydrophobicContact CZ-CG 3.96Å; F324-K328 WeakPolarHBondContact O-CB 3.5Å; F324-K328 WeakPolarHBondContact O-CG 3.4Å; F324-K328 PolarHBondContact O-N 3.29Å
325H96.3Very high95.2Very high12 Ų1229.8 Ų29.86%0.05615%0.149CC..Hα-helixtrans-71.3-35.6-179.2-60.5-70.9000112.8T308 E311 L312 L322 R323 K329T308-H325 WeakPolarHBondContact CG2-O 3.42Å; E311-H325 IonicContact OE2-ND1 2.72Å; L312-H325 HydrophobicContact CB-CB 3.93Å; L312-H325 HydrophobicContact CD1-CB 3.72Å; L312-H325 HydrophobicContact CG-CB 4.39Å; L322-H325 PolarHBondContact O-N 3.23Å; L322-H325 VanDerWaalsContact O-N 3.16Å; R323-H325 VanDerWaalsContact C-N 3.33Å; R323-H325 PolarHBondContact O-N 3.48Å; H325-K329 PolarHBondContact O-N 3.29Å; H325-K329 VanDerWaalsContact O-N 3.14Å
326K95.4Very high95.2Very high23 Ų2332 Ų3210%0.116%0.162CC..Hα-helixtrans-65.7-49.1172.7-87.3-79.5-74.2172.40111.6E137 L312 L322 R323 K328 K329 D330E137-K326 IonicContact OE1-NZ 2.82Å; E137-K326 PolarHBondContact OE1-NZ 3.32Å; E137-K326 WeakPolarHBondContact OE2-CE 3.41Å; E137-K326 IonicContact OE2-NZ 2.61Å; E137-K326 PolarHBondContact OE2-NZ 3.45Å; L312-K326 HydrophobicContact CD1-CG 4.29Å; L322-K326 PolarHBondContact O-N 2.97Å; R323-K326 PolarHBondContact O-N 2.94Å; K326-K328 PolarHBondContact O-N 3.01Å; K326-K329 WeakPolarHBondContact O-CA 3.43Å; K326-K329 WeakPolarHBondContact O-CB 3.28Å; K326-K329 PolarHBondContact O-N 3.22Å; K326-D330 PolarHBondContact O-N 2.92Å
327E96.1Very high95.1Very high21 Ų2133.1 Ų33.110%0.09818%0.178CC..Hα-helixtrans-63.9-39178.5-65.2-82-165.500111.6L249 L278 R283 R323 K329 D330 I331L249-E327 HydrophobicContact CD1-CB 3.84Å; L249-E327 HydrophobicContact CD2-CB 4.37Å; L278-E327 HydrophobicContact CD2-CB 3.97Å; L278-E327 HydrophobicContact CD2-CG 3.62Å; L278-E327 WeakPolarHBondContact CD2-OE1 3.4Å; L278-E327 WeakPolarHBondContact CD2-OE2 3.26Å; R283-E327 IonicContact CZ-OE1 3.36Å; R283-E327 IonicContact CZ-OE2 3.95Å; R283-E327 IonicContact NE-OE1 2.77Å; R283-E327 IonicContact NE-OE2 3.48Å; R283-E327 PolarHBondContact NE-OE2 3.18Å; R283-E327 IonicContact NH2-OE1 3.38Å; R283-E327 PolarHBondContact NH2-OE1 2.98Å; R283-E327 IonicContact NH2-OE2 2.72Å; R283-E327 PolarHBondContact NH2-OE2 3.22Å; R283-E327 VanDerWaalsContact NH2-OE2 3.1Å; R323-E327 HydrophobicContact CG-CG 3.98Å; R323-E327 WeakPolarHBondContact O-CB 3.4Å; R323-E327 WeakPolarHBondContact O-CG 3.31Å; R323-E327 PolarHBondContact O-N 3.35Å; E327-K329 VanDerWaalsContact C-N 3.32Å; E327-K329 PolarHBondContact O-N 3.25Å; E327-D330 PolarHBondContact O-N 3.15Å; E327-I331 WeakPolarHBondContact O-CB 3.35Å; E327-I331 WeakPolarHBondContact O-CD1 3.4Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.19Å
328K97.1Very high95.2Very high3 Ų331.5 Ų31.51%0.01317%0.168CC..Hα-helixtrans-51.8-51.9168.1-84.7-171.553.2168.90110.9L249 W252 E304 T308 E311 F324 K326 L332L249-K328 HydrophobicContact CD2-CG 3.84Å; W252-K328 HydrophobicContact CD2-CD 4.04Å; W252-K328 HydrophobicContact CD2-CG 3.8Å; W252-K328 VanDerWaalsContact CE2-CE 3.45Å; W252-K328 HydrophobicContact CE3-CG 3.92Å; W252-K328 HydrophobicContact CG-CD 4.19Å; W252-K328 HydrophobicContact CG-CG 4.39Å; W252-K328 HydrophobicContact CH2-CB 4.12Å; W252-K328 HydrophobicContact CH2-CG 4.04Å; W252-K328 HydrophobicContact CZ2-CB 4.18Å; W252-K328 HydrophobicContact CZ2-CD 4.33Å; W252-K328 HydrophobicContact CZ2-CG 3.94Å; W252-K328 HydrophobicContact CZ3-CB 4.45Å; W252-K328 HydrophobicContact CZ3-CG 4.04Å; W252-K328 VanDerWaalsContact NE1-CE 3.29Å; E304-K328 WeakPolarHBondContact OE1-CE 3.24Å; E304-K328 IonicContact OE1-NZ 3.01Å; E304-K328 PolarHBondContact OE1-NZ 2.99Å; T308-K328 HydrophobicContact CG2-CB 3.61Å; T308-K328 HydrophobicContact CG2-CD 4.47Å; T308-K328 WeakPolarHBondContact OG1-CE 3.37Å; T308-K328 PolarHBondContact OG1-NZ 3.05Å; E311-K328 IonicContact OE1-NZ 3.76Å; E311-K328 IonicContact OE2-NZ 3.89Å; E311-K328 PolarHBondContact OE2-NZ 3.22Å; F324-K328 HydrophobicContact CD1-CD 4.37Å; F324-K328 HydrophobicContact CD2-CG 4.48Å; F324-K328 HydrophobicContact CE1-CD 3.66Å; F324-K328 HydrophobicContact CE1-CG 4.37Å; F324-K328 HydrophobicContact CE2-CD 4.08Å; F324-K328 HydrophobicContact CE2-CG 4.01Å; F324-K328 HydrophobicContact CZ-CD 3.5Å; F324-K328 VanDerWaalsContact CZ-CD 3.5Å; F324-K328 HydrophobicContact CZ-CG 3.96Å; F324-K328 WeakPolarHBondContact O-CB 3.5Å; F324-K328 WeakPolarHBondContact O-CG 3.4Å; F324-K328 PolarHBondContact O-N 3.29Å; K326-K328 PolarHBondContact O-N 3.01Å; K328-L332 WeakPolarHBondContact O-CD1 3.14Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 2.57Å
329K96.8Very high95.1Very high57 Ų5731.7 Ų31.725%0.24816%0.164CC..Hα-helixtrans-63.5-47-178.2-179.8166.4-177.11530111.7T308 D309 L312 H325 K326 E327 I331 L332 M333T308-K329 HydrophobicContact CG2-CB 3.96Å; D309-K329 WeakPolarHBondContact OD1-CD 3.45Å; D309-K329 WeakPolarHBondContact OD1-CE 3.48Å; D309-K329 IonicContact OD1-NZ 2.84Å; D309-K329 PolarHBondContact OD1-NZ 3.07Å; D309-K329 IonicContact OD2-NZ 3.17Å; D309-K329 PolarHBondContact OD2-NZ 3.47Å; L312-K329 HydrophobicContact CD2-CD 4.48Å; H325-K329 PolarHBondContact O-N 3.29Å; H325-K329 VanDerWaalsContact O-N 3.14Å; K326-K329 WeakPolarHBondContact O-CA 3.43Å; K326-K329 WeakPolarHBondContact O-CB 3.28Å; K326-K329 PolarHBondContact O-N 3.22Å; E327-K329 VanDerWaalsContact C-N 3.32Å; E327-K329 PolarHBondContact O-N 3.25Å; K329-I331 VanDerWaalsContact C-N 3.33Å; K329-I331 PolarHBondContact O-N 3.12Å; K329-L332 PolarHBondContact O-N 2.61Å; K329-M333 HydrophobicContact CG-CG 4.29Å; K329-M333 WeakPolarHBondContact O-CG 3.47Å; K329-M333 PolarHBondContact O-N 3.3Å
330D96.2Very high95.1Very high70 Ų7035.8 Ų35.837%0.37419%0.185SC..Hα-helixtrans-65.5-37.3-176.9-62.6-23.6000111K326 E327 M333 L334K326-D330 PolarHBondContact O-N 2.92Å; E327-D330 PolarHBondContact O-N 3.15Å; D330-M333 PolarHBondContact O-N 3.45Å; D330-L334 WeakPolarHBondContact O-CB 3.46Å; D330-L334 PolarHBondContact O-N 2.81Å
331I98.1Very high94.9Very high0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-64.4-42.7171.9-70.2164.1000112.1L249 W252 R283 M286 A287 E327 K329 L334 A335L249-I331 HydrophobicContact CD1-CD1 4.28Å; L249-I331 HydrophobicContact CD2-CD1 4.17Å; W252-I331 HydrophobicContact CH2-CG2 4.27Å; W252-I331 HydrophobicContact CZ3-CB 4.49Å; W252-I331 HydrophobicContact CZ3-CD1 4.39Å; W252-I331 HydrophobicContact CZ3-CG2 4.2Å; R283-I331 HydrophobicContact CB-CG1 4.16Å; R283-I331 HydrophobicContact CG-CD1 4.49Å; R283-I331 HydrophobicContact CG-CG1 4.09Å; M286-I331 HydrophobicContact CB-CD1 4.23Å; M286-I331 HydrophobicContact CB-CG2 3.75Å; M286-I331 HydrophobicContact SD-CD1 3.66Å; A287-I331 HydrophobicContact CB-CG2 4.34Å; E327-I331 WeakPolarHBondContact O-CB 3.35Å; E327-I331 WeakPolarHBondContact O-CD1 3.4Å; E327-I331 WeakPolarHBondContact O-CG1 3.47Å; E327-I331 PolarHBondContact O-N 3.19Å; K329-I331 VanDerWaalsContact C-N 3.33Å; K329-I331 PolarHBondContact O-N 3.12Å; I331-L334 WeakPolarHBondContact O-CB 3.32Å; I331-L334 PolarHBondContact O-N 3.29Å; I331-A335 PolarHBondContact O-N 3.48Å
332L97.9Very high94.4Very high0 Ų036.3 Ų36.30%021%0.208CC..Hα-helixtrans-66.9-41.3177.3-68.2162.3000111.7W252 W290 I301 E304 V305 T308 K328 K329 L334 A335 V336W252-L332 HydrophobicContact CH2-CD1 4.34Å; W252-L332 HydrophobicContact CH2-CD2 4.18Å; W252-L332 HydrophobicContact CH2-CG 3.94Å; W252-L332 HydrophobicContact CZ2-CD1 4Å; W252-L332 HydrophobicContact CZ2-CD2 4.04Å; W252-L332 HydrophobicContact CZ2-CG 3.99Å; W290-L332 HydrophobicContact CD2-CD2 3.91Å; W290-L332 HydrophobicContact CE3-CD2 4.33Å; W290-L332 HydrophobicContact CG-CD2 4.06Å; I301-L332 HydrophobicContact CG2-CD2 4.3Å; E304-L332 HydrophobicContact CB-CD1 4.33Å; E304-L332 HydrophobicContact CB-CD2 4.09Å; E304-L332 HydrophobicContact CG-CD1 3.84Å; E304-L332 HydrophobicContact CG-CD2 3.9Å; E304-L332 HydrophobicContact CG-CG 4.49Å; V305-L332 HydrophobicContact CG2-CB 3.61Å; V305-L332 HydrophobicContact CG2-CD1 3.9Å; V305-L332 HydrophobicContact CG2-CG 4.24Å; T308-L332 WeakPolarHBondContact OG1-CD1 3.38Å; K328-L332 WeakPolarHBondContact O-CD1 3.14Å; K328-L332 VanDerWaalsContact O-CG 3.25Å; K328-L332 WeakPolarHBondContact O-CG 3.37Å; K328-L332 PolarHBondContact O-N 2.57Å; K329-L332 PolarHBondContact O-N 2.61Å; L332-L334 VanDerWaalsContact C-N 3.3Å; L332-L334 PolarHBondContact O-N 3.33Å; L332-A335 WeakPolarHBondContact O-CB 3.36Å; L332-A335 PolarHBondContact O-N 3.04Å; L332-A335 VanDerWaalsContact O-N 3.13Å; L332-V336 WeakPolarHBondContact O-CG2 3.27Å; L332-V336 PolarHBondContact O-N 3.1Å
333M96.9Very high93.7Very high95 Ų9540.8 Ų40.847%0.46823%0.232SC..Hα-helixtrans-65.1-34.7175.8-68.1-52.7-5200111.9K329 D330 V336 G337K329-M333 HydrophobicContact CG-CG 4.29Å; K329-M333 WeakPolarHBondContact O-CG 3.47Å; K329-M333 PolarHBondContact O-N 3.3Å; D330-M333 PolarHBondContact O-N 3.45Å; M333-V336 PolarHBondContact O-N 3.38Å; M333-G337 PolarHBondContact O-N 3.19Å
334L97.1Very high92.8Very high67 Ų6744.8 Ų44.835%0.35126%0.258SS..Hα-helixtrans-63.3-40.8170.5-177.162.2000111.6R283 A287 D330 I331 L332 G337 Q338R283-L334 HydrophobicContact CB-CD2 4.25Å; A287-L334 HydrophobicContact CB-CB 4.06Å; A287-L334 HydrophobicContact CB-CD2 3.88Å; A287-L334 HydrophobicContact CB-CG 3.84Å; D330-L334 WeakPolarHBondContact O-CB 3.46Å; D330-L334 PolarHBondContact O-N 2.81Å; I331-L334 WeakPolarHBondContact O-CB 3.32Å; I331-L334 PolarHBondContact O-N 3.29Å; L332-L334 VanDerWaalsContact C-N 3.3Å; L332-L334 PolarHBondContact O-N 3.33Å; L334-G337 PolarHBondContact O-N 3.14Å; L334-Q338 WeakPolarHBondContact O-CG 3.48Å; L334-Q338 PolarHBondContact O-N 3.13Å
335A96.7Very high91.6Very high0 Ų047.7 Ų47.70%029%0.287CS..Hα-helixtrans-65-39.9175.500000112.7A287 W290 V291 I301 I331 L332 Q338 L339A287-A335 HydrophobicContact CB-CB 4.01Å; A287-A335 WeakPolarHBondContact O-CB 3.49Å; W290-A335 HydrophobicContact CB-CB 3.98Å; V291-A335 HydrophobicContact CG2-CB 3.96Å; I301-A335 HydrophobicContact CD1-CB 3.93Å; I331-A335 PolarHBondContact O-N 3.48Å; L332-A335 WeakPolarHBondContact O-CB 3.36Å; L332-A335 PolarHBondContact O-N 3.04Å; L332-A335 VanDerWaalsContact O-N 3.13Å; A335-Q338 PolarHBondContact O-N 2.83Å; A335-L339 PolarHBondContact O-N 2.74Å; A335-L339 VanDerWaalsContact O-N 3.13Å
336V95.8Very high90Very high45 Ų4552.3 Ų52.327%0.27332%0.316SS..Hα-helixtrans-59.7-47.8171.6175.30000110.7I301 L332 M333 Q338 L339 D340I301-V336 HydrophobicContact CG2-CG2 3.64Å; L332-V336 WeakPolarHBondContact O-CG2 3.27Å; L332-V336 PolarHBondContact O-N 3.1Å; M333-V336 PolarHBondContact O-N 3.38Å; V336-Q338 VanDerWaalsContact C-N 3.3Å; V336-Q338 PolarHBondContact O-N 3.33Å; V336-L339 WeakPolarHBondContact O-CB 3.35Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.07Å; V336-D340 PolarHBondContact O-N 2.97Å
337G94.6Very high87.7Confident38 Ų3857.3 Ų57.339%0.39234%0.343SS..Hα-helixtrans-61-35177.900000113.9M333 L334 A341M333-G337 PolarHBondContact O-N 3.19Å; L334-G337 PolarHBondContact O-N 3.14Å; G337-A341 WeakPolarHBondContact O-CB 3.34Å; G337-A341 PolarHBondContact O-N 3.38Å; G337-A341 VanDerWaalsContact O-N 3.07Å
338Q93.4Very high85.5Confident57 Ų5761.3 Ų61.327%0.26637%0.371SS..Hα-helixtrans-66.4-37.5173.4-72177.322.900112.4V291 L334 A335 V336 A342V291-Q338 HydrophobicContact CG2-CB 3.97Å; L334-Q338 WeakPolarHBondContact O-CG 3.48Å; L334-Q338 PolarHBondContact O-N 3.13Å; A335-Q338 PolarHBondContact O-N 2.83Å; V336-Q338 VanDerWaalsContact C-N 3.3Å; V336-Q338 PolarHBondContact O-N 3.33Å; Q338-A342 WeakPolarHBondContact O-CB 3.38Å; Q338-A342 PolarHBondContact O-N 2.75Å
339L90.6Very high83.3Confident35 Ų3566.8 Ų66.818%0.18341%0.409CS..Hα-helixtrans-67.7-44.7175-74164.8000112.1V291 E294 I301 A335 V336 A341 A342 N343V291-L339 HydrophobicContact CG1-CD2 3.91Å; V291-L339 HydrophobicContact CG1-CG 4.32Å; V291-L339 HydrophobicContact CG2-CG 4.22Å; E294-L339 HydrophobicContact CB-CD1 4.2Å; E294-L339 HydrophobicContact CG-CD1 3.83Å; I301-L339 HydrophobicContact CD1-CD1 3.65Å; A335-L339 PolarHBondContact O-N 2.74Å; A335-L339 VanDerWaalsContact O-N 3.13Å; V336-L339 WeakPolarHBondContact O-CB 3.35Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.07Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 2.93Å; L339-A342 PolarHBondContact O-N 2.85Å; L339-A342 VanDerWaalsContact O-N 3.15Å; L339-N343 WeakPolarHBondContact O-CB 3.17Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.31Å
340D89.4Confident80.8Confident93 Ų9370.5 Ų70.550%0.49744%0.437SS..Hα-helixtrans-62.1-38.7177.4-69.8-24.8000111.7V336 T344V336-D340 PolarHBondContact O-N 2.97Å; D340-T344 WeakPolarHBondContact O-CB 3.47Å; D340-T344 WeakPolarHBondContact O-CG2 3.47Å; D340-T344 PolarHBondContact O-N 2.92Å; D340-T344 PolarHBondContact O-OG1 3.48Å
341A87.2Confident78.1Confident56 Ų5676.4 Ų76.446%0.46348%0.482SS..Hα-helixtrans-63.9-41.6172.400000112.7G337 L339 T344 A345G337-A341 WeakPolarHBondContact O-CB 3.34Å; G337-A341 PolarHBondContact O-N 3.38Å; G337-A341 VanDerWaalsContact O-N 3.07Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 2.93Å; A341-T344 WeakPolarHBondContact CA-OG1 3.27Å; A341-T344 PolarHBondContact O-OG1 3.18Å; A341-T344 VanDerWaalsContact O-OG1 3.09Å; A341-A345 VanDerWaalsContact O-CB 3.31Å; A341-A345 WeakPolarHBondContact O-CB 3.4Å; A341-A345 PolarHBondContact O-N 2.61Å
342A82.6Confident77.1Confident52 Ų5280.2 Ų80.243%0.4351%0.506SS..Hα-helixtrans-67.6-39.8176.900000112.7Q338 L339 A345 T346Q338-A342 WeakPolarHBondContact O-CB 3.38Å; Q338-A342 PolarHBondContact O-N 2.75Å; L339-A342 PolarHBondContact O-N 2.85Å; L339-A342 VanDerWaalsContact O-N 3.15Å; A342-A345 PolarHBondContact O-N 2.76Å; A342-T346 PolarHBondContact O-N 2.8Å; A342-T346 PolarHBondContact O-OG1 3.36Å
343N79.4Confident76Confident93 Ų9384.4 Ų84.450%0.49753%0.532SS..Hα-helixtrans-67.8-37.5177.7-69.7-27.9000112.2L339 T346L339-N343 WeakPolarHBondContact O-CB 3.17Å; L339-N343 PolarHBondContact O-N 3.47Å; L339-N343 PolarHBondContact O-ND2 3.31Å; N343-T346 WeakPolarHBondContact CA-OG1 3.23Å; N343-T346 PolarHBondContact O-OG1 2.92Å
344T76.1Confident74.8Confident98 Ų9883.8 Ų83.860%0.60154%0.536SS*.Hα-helixtrans-73.9-35.1175.646.80000112.5D340 A341 T346D340-T344 WeakPolarHBondContact O-CB 3.47Å; D340-T344 WeakPolarHBondContact O-CG2 3.47Å; D340-T344 PolarHBondContact O-N 2.92Å; D340-T344 PolarHBondContact O-OG1 3.48Å; A341-T344 WeakPolarHBondContact CA-OG1 3.27Å; A341-T344 PolarHBondContact O-OG1 3.18Å; A341-T344 VanDerWaalsContact O-OG1 3.09Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.72Å
345A70.5Confident73.5Confident86 Ų8684.8 Ų84.871%0.71155%0.547SS*.Hα-helixtrans-70.1-19.3175.200000114.3A341 A342A341-A345 VanDerWaalsContact O-CB 3.31Å; A341-A345 WeakPolarHBondContact O-CB 3.4Å; A341-A345 PolarHBondContact O-N 2.61Å; A342-A345 PolarHBondContact O-N 2.76Å
346T61.7Low72.1Confident109 Ų10990.1 Ų90.167%0.66958%0.581SS**THydrogen-bonded Turntrans-93.9-6.6-179.939.40000114.3A342 N343 T344 P348A342-T346 PolarHBondContact O-N 2.8Å; A342-T346 PolarHBondContact O-OG1 3.36Å; N343-T346 WeakPolarHBondContact CA-OG1 3.23Å; N343-T346 PolarHBondContact O-OG1 2.92Å; T344-T346 VanDerWaalsContact C-N 3.28Å; T344-T346 PolarHBondContact O-N 2.72Å; T346-P348 WeakPolarHBondContact O-CD 3.2Å
347L48.3Very low70.5Confident129 Ų12993.1 Ų93.168%0.67560%0.602SS**SBendtrans-80.5115.9169.8-73.3168.7000109.8S349L347-S349 PolarHBondContact O-N 3.33Å
348P49.1Very low68.8Low105 Ų10597.1 Ų97.168%0.68262%0.617SS**  trans-64.1132.6175.627.1-33.1000109.5T346 T350T346-P348 WeakPolarHBondContact O-CD 3.2Å; P348-T350 VanDerWaalsContact C-N 3.34Å; P348-T350 PolarHBondContact O-N 2.67Å
349S51Low66.9Low117 Ų117100.2 Ų100.282%0.81864%0.644SS**  trans-64.894.9170.4-640000109.2L347 C351L347-S349 PolarHBondContact O-N 3.33Å; S349-C351 PolarHBondContact O-N 2.63Å
350T45.2Very low64.9Low135 Ų135105.6 Ų105.683%0.82868%0.682SS**  trans-76.488.4172.542.10000109.6P348P348-T350 VanDerWaalsContact C-N 3.34Å; P348-T350 PolarHBondContact O-N 2.67Å
351C38.6Very low62.7Low194 Ų194106.7 Ų106.7100%1.31170%0.699SS**  trans-81.30159.4-65.20000110.6S349S349-C351 PolarHBondContact O-N 2.63Å

Retrieved 351 of 351 residues in 1355.6 ms (Link to these results)