A0A087Y7B1_POEFO Loading...

Potassium channel tetramerization domain containing 14

AlphaFold DB , UniProt , Accession A0A087Y7B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 282 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low32.7Very low221 Ų221157.8 Ų157.8100%1.08983%0.83SS**  0107.90-76.8167.294.100107.4
2Q32.9Very low32.8Very low164 Ų164162.6 Ų162.677%0.76684%0.839SS**  80.1108.9121.7-84.7158.4-31.200112.7
3Q32.3Very low32.7Very low186 Ų186156.5 Ų156.587%0.86983%0.828SS**  43131.270.5-70.4-170.34.300111.3
4S34.3Very low32.5Very low89 Ų89162.9 Ų162.962%0.62284%0.837SS**  cis-172.1167.723.944.30000109.8
5E32.5Very low32.1Very low169 Ų169156.3 Ų156.379%0.7983%0.826SS**  trans65.6123.3146.4-73.5161.6147.200121.9
6T33.2Very low31.7Very low143 Ų143160.9 Ų160.988%0.87783%0.829SS**  -168.3118.410126.40000111.4
7S33.1Very low31.8Very low118 Ų118160.8 Ų160.883%0.82583%0.828SS**  trans-70.8134.8151.6165.80000108
8S31.3Very low31.7Very low100 Ų100164.7 Ų164.770%0.69983%0.83SS**  trans169143.4137.7-163.90000111
9Q32.4Very low31.9Very low173 Ų173162.8 Ų162.881%0.80883%0.828SS**  trans86.390.2161.7-50.7-177.1-13.500118.3
10R32Very low31.9Very low255 Ų255166.3 Ų166.396%0.96283%0.83SS**  -171.461.5112.8-98.8172.9-177.9-165.41.8111.3
11S32.2Very low32.1Very low118 Ų118164.3 Ų164.383%0.82583%0.829SS**  trans-91.2113.4153.4-700000107.5
12K33.2Very low32.1Very low215 Ų215165.3 Ų165.394%0.93582%0.821SS**  trans176.697.2158.2-98.9164.3-165.2-171.60109
13A32.3Very low32.3Very low84 Ų84162.6 Ų162.669%0.69482%0.817SS**  trans179.154.8146.700000111.3
14Y30Very low32.7Very low245 Ų245159.9 Ų159.996%0.96182%0.816SS**  trans-141130.5164.5-64.8-71.1000110.1
15G26.4Very low32.7Very low64 Ų64160.5 Ų160.566%0.6683%0.827SS**  trans118110.2-167.400000107
16W25.3Very low32.9Very low231 Ų231157 Ų15788%0.87583%0.827SS**  -157.7122.154.5-72.676.6000111.1
17I32.9Very low33Very low159 Ų159157.2 Ų157.282%0.81583%0.828SS**  trans-146.5104143.2-55.5-176.1000107.8V19I17-V19 HydrophobicContact CG2-CG2 4.06Å
18R31.1Very low32.9Very low230 Ų230157.6 Ų157.687%0.86883%0.829SS**PPolyproline II helixtrans-85.4116.7165.4-90.3-177.5176.7-175.9-0.9108
19V34.6Very low33Very low129 Ų129158.1 Ų158.178%0.78283%0.833SS**PPolyproline II helixtrans-95.1122.8166.6-174.80000108.4I17I17-V19 HydrophobicContact CG2-CG2 4.06Å
20R32.8Very low33.3Very low232 Ų232156.3 Ų156.388%0.87583%0.834SS**PPolyproline II helixtrans-80.7142.9175.3-66.5-176.1176.8-166.8-0.6110.1
21P35.1Very low33.3Very low126 Ų126150.1 Ų150.182%0.81883%0.827SS**PPolyproline II helixtrans-93.8147.1166.834.1-28.3000111.5
22R33.5Very low33.4Very low241 Ų241154.9 Ų154.991%0.90983%0.827SS**  trans-157.6160.8167.2-127.9-169.8-168.7-157.82.6110.1
23P38.8Very low33.4Very low107 Ų107149.9 Ų149.970%0.69582%0.818SS**  -115.8177.5-86.538-24.5000112
24P40.2Very low33.4Very low130 Ų130152.2 Ų152.284%0.84482%0.815SS**  trans-85.6143.8175.233.5-31.6000112.4
25A34.9Very low33.5Very low102 Ų102148.3 Ų148.384%0.84381%0.81SS**  trans-142.1145.5164.900000106.7
26A35.1Very low33.8Very low96 Ų96152.4 Ų152.479%0.79382%0.817SS**  cis-156.4150.9-10.100000105.5
27T36.9Very low34Very low146 Ų146150.7 Ų150.790%0.89682%0.816SS**  trans-70.1137.2168.5400000109.9
28C29.8Very low34Very low126 Ų126150.9 Ų150.985%0.85181%0.813SS**  trans-125.3114.4166.1-157.90000109.3
29S32.8Very low34Very low111 Ų111150 Ų15078%0.77681%0.81SS**  trans-75.6135.6172.835.20000110.6
30T38.5Very low33.8Very low136 Ų136150.4 Ų150.483%0.83481%0.813SS**  trans-112.4141.9163.423.40000110.7
31P33.8Very low33.8Very low125 Ų125147.2 Ų147.281%0.81281%0.805SS**  trans-87.1151.2-171.333.2-30.9000113.1
32R33.2Very low33.5Very low218 Ų218150.2 Ų150.282%0.82381%0.81SS**  trans-65.2119.5172.8-166.9-179.6-167.1-173.54110.7
33S33.4Very low33.6Very low109 Ų109143.7 Ų143.776%0.76280%0.802SS**  trans-105.4108.2162.857.80000110
34H32.2Very low33.3Very low133 Ų133144.9 Ų144.962%0.61680%0.802SS**  trans-69.2128161.4-94.2-99.3000109.3
35L32.8Very low33.3Very low164 Ų164144.7 Ų144.786%0.85980%0.801SS**  trans-135.8103155.2-105.9137.8000107.7
36N31.7Very low33.3Very low150 Ų150146.3 Ų146.380%0.80280%0.795SS**  trans-71.4123.6161.9-87.7-18.2000107.6
37F30.7Very low33.2Very low195 Ų195152.2 Ų152.286%0.85580%0.798SS**  trans-131.1136155-156.9-100.5000110.1
38Q31.3Very low32.8Very low163 Ų163153.9 Ų153.976%0.76279%0.793SS**  trans-75.4134.5-162.3-71.1161.1-31.300112.5
39R31.1Very low33.2Very low210 Ų210153.2 Ų153.279%0.79279%0.79SS**  trans-1.5117.3143.5-166-177.6-132.9178.84.7117
40T31.1Very low33.2Very low138 Ų138153.7 Ų153.785%0.84779%0.788SS**  trans-128.5115.3144.1-37.20000108.8
41K33Very low33.2Very low166 Ų166150.2 Ų150.272%0.72278%0.779SS**  trans-70.7135.1169.8-75.3176.8171-178.80108.7
42M29.8Very low33Very low188 Ų188153.3 Ų153.393%0.92678%0.78SS**  trans-149.8144.8147.9-88.5-92.8-99.500107.7
43S35.2Very low33.4Very low104 Ų104152.7 Ų152.773%0.72779%0.786SS**  trans-94.6143.1-153-330000113.6
44L32.8Very low33.4Very low132 Ų132151.6 Ų151.669%0.69178%0.779SS**  trans51.2143.7138.1-78.8162.9000120.7D46L44-D46 HydrophobicContact CD2-CB 4.37Å; L44-D46 VanDerWaalsContact CD2-CG 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD1 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD2 3.39Å
45P39.9Very low33.8Very low127 Ų127151.2 Ų151.283%0.82579%0.791SS**  -128.1156.456.232.2-14.5000116.9Y47P45-Y47 PolarHBondContact O-N 3.37Å
46D34.8Very low34.2Very low135 Ų135147.1 Ų147.172%0.72278%0.776SS**  trans-54.6115.9178.8-66-66.1000113L44L44-D46 HydrophobicContact CD2-CB 4.37Å; L44-D46 VanDerWaalsContact CD2-CG 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD1 3.46Å; L44-D46 WeakPolarHBondContact CD2-OD2 3.39Å
47Y33.3Very low35Very low221 Ų221144.7 Ų144.787%0.86778%0.777SS**  trans-96.6103.4154.5-167.6-100.1000107.8P45 S49P45-Y47 PolarHBondContact O-N 3.37Å; Y47-S49 PolarHBondContact O-N 2.87Å
48K28.2Very low36.2Very low180 Ų180139.5 Ų139.578%0.78376%0.758SS**  trans-53.598.7172.5-80.6177.8175175.30109.8T50K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.21Å
49S38.5Very low37.6Very low113 Ų113135 Ų13579%0.7974%0.744SS**  trans-82.686159.2-168.90000107.6Y47 G51Y47-S49 PolarHBondContact O-N 2.87Å; S49-G51 PolarHBondContact O-N 3.47Å
50T32Very low38.9Very low120 Ų120131.5 Ų131.574%0.73674%0.737SS**  trans-79111.7159.246.20000107.3K48K48-T50 VanDerWaalsContact C-N 3.32Å; K48-T50 PolarHBondContact O-N 3.21Å
51G37.8Very low40.6Very low63 Ų63129.2 Ų129.265%0.64973%0.726SS**  trans-54.9145.9167.800000111.6S49S49-G51 PolarHBondContact O-N 3.47Å
52K29.9Very low43Very low191 Ų191123.1 Ų123.183%0.8371%0.705SS**  trans-165.6117.5136.5-107.6166.2-176.3178.90106.8S54K52-S54 PolarHBondContact O-N 2.79Å
53Q41.2Very low45.8Very low204 Ų204119 Ų11995%0.95369%0.69SS**  trans-55.388.2151.7-74173.8-21.600106.7
54S33.2Very low48.4Very low86 Ų86114.9 Ų114.960%0.60166%0.661SS**  trans-88.1108162.955.10000105.6K52 S56K52-S54 PolarHBondContact O-N 2.79Å; S54-S56 PolarHBondContact O-N 2.97Å
55S42.3Very low51.2Low125 Ų125113.7 Ų113.787%0.87465%0.651SS**  trans-56.972.9150.453.70000108.1A57S55-A57 PolarHBondContact O-N 3.06Å
56S39.7Very low53.7Low78 Ų78107.7 Ų107.755%0.54561%0.612SS.*  trans-72.4112.8173.556.20000105.6S54 L58S54-S56 PolarHBondContact O-N 2.97Å; S56-L58 VanDerWaalsContact C-N 3.32Å; S56-L58 PolarHBondContact O-N 2.88Å
57A48.9Very low56.5Low99 Ų99102 Ų10282%0.81858%0.582SS**  trans-48.3102.9165.900000107.6S55 S59S55-A57 PolarHBondContact O-N 3.06Å; A57-S59 PolarHBondContact O-N 3.15Å; A57-S59 VanDerWaalsContact O-N 3.11Å
58L56.4Low59.4Low86 Ų8691.5 Ų91.545%0.4554%0.541SS..  trans-58.6121.5-177.6-69.8158.6000107.2S56 L77S56-L58 VanDerWaalsContact C-N 3.32Å; S56-L58 PolarHBondContact O-N 2.88Å; L58-L77 HydrophobicContact CB-CD1 3.2Å; L58-L77 HydrophobicContact CD1-CD1 3.9Å; L58-L77 HydrophobicContact CG-CD1 4.07Å
59S60.7Low62.4Low69 Ų6984.8 Ų84.848%0.48352%0.523SS..  trans-57.4145.3-177.663.60000110.1A57 S61 S62A57-S59 PolarHBondContact O-N 3.15Å; A57-S59 VanDerWaalsContact O-N 3.11Å; S59-S61 PolarHBondContact O-N 2.73Å; S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.22Å
60H59Low65Low136 Ų13682 Ų8263%0.6351%0.511SS*.THydrogen-bonded Turntrans-54.7-19.5-178.9-81.4-96.5000113.8S78H60-S78 WeakPolarHBondContact O-CB 3.43Å; H60-S78 PolarHBondContact O-N 2.96Å; H60-S78 VanDerWaalsContact O-N 3.12Å; H60-S78 PolarHBondContact O-OG 2.85Å
61S66.6Low68Low90 Ų9080 Ų8063%0.62949%0.493SS*.THydrogen-bonded Turntrans-101.84.3-179.1520000114.9S59 V63S59-S61 PolarHBondContact O-N 2.73Å; S61-V63 PolarHBondContact O-N 2.74Å
62S82.4Confident70.7Confident38 Ų3881.8 Ų81.827%0.26649%0.488SS..  trans-66.9126.7178.5-173.30000110.9S59 T76 L77S59-S62 WeakPolarHBondContact O-CB 3.44Å; S59-S62 PolarHBondContact O-N 3.22Å; S62-T76 WeakPolarHBondContact O-CA 3.4Å; S62-L77 PolarHBondContact O-N 2.9Å; S62-L77 VanDerWaalsContact O-N 3.09Å
63V88.6Confident73.8Confident102 Ų10274.5 Ų74.562%0.61846%0.456SS*.EExtended strand (participates in β ladder)trans-73.6130.8172.1178.30000108.6S61 T75 T76S61-V63 PolarHBondContact O-N 2.74Å; V63-T75 CarbonylContact C-O 3.45Å; V63-T75 WeakPolarHBondContact CA-O 3.42Å; V63-T76 HydrophobicContact CG2-CG2 4.43Å
64V89.6Confident76.3Confident18 Ų1867.9 Ų67.911%0.10943%0.433CS..EExtended strand (participates in β ladder)trans-122.2143.4178.2-66.40000110.4L66 T75 L77 L80 F92V64-L66 HydrophobicContact CG2-CD1 4.33Å; V64-T75 HydrophobicContact CG2-CG2 4.02Å; V64-T75 WeakPolarHBondContact CG2-O 3.36Å; V64-T75 PolarHBondContact N-O 2.89Å; V64-T75 PolarHBondContact O-N 2.85Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG1-CD2 3.66Å; V64-L77 HydrophobicContact CG1-CG 3.76Å; V64-L77 HydrophobicContact CG2-CD2 4.3Å; V64-L80 HydrophobicContact CG2-CD1 3.57Å; V64-F92 HydrophobicContact CB-CE1 4.27Å; V64-F92 HydrophobicContact CG1-CE1 4.26Å; V64-F92 HydrophobicContact CG2-CE1 4.08Å; V64-F92 HydrophobicContact CG2-CZ 4.44Å
65Q92.2Very high79.2Confident107 Ų10764.2 Ų64.250%0.541%0.407SS..EExtended strand (participates in β ladder)trans-105.7132.9175.6-64.9-171.8-9.800109.7F73 R105 L106Q65-F73 WeakPolarHBondContact CA-O 3.37Å; Q65-R105 HydrophobicContact CB-CB 4.22Å; Q65-R105 HydrophobicContact CB-CG 3.84Å; Q65-L106 PolarHBondContact O-N 3.45Å; Q65-L106 VanDerWaalsContact O-N 3.1Å
66L92.6Very high81.5Confident1 Ų160 Ų601%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-119.8147.2178.7-51.395.6000110.1V64 V68 L72 F73 T75 L80 F92 L106 I108 F115V64-L66 HydrophobicContact CG2-CD1 4.33Å; L66-V68 HydrophobicContact CB-CG2 4.46Å; L66-L72 WeakPolarHBondContact O-CA 3.11Å; L66-F73 HydrophobicContact CB-CB 4.38Å; L66-F73 HydrophobicContact CD1-CB 4.33Å; L66-F73 PolarHBondContact N-O 3.11Å; L66-F73 PolarHBondContact O-N 3.11Å; L66-T75 HydrophobicContact CD1-CG2 3.69Å; L66-L80 HydrophobicContact CD1-CD1 4.15Å; L66-L80 HydrophobicContact CD2-CD1 4.07Å; L66-L80 HydrophobicContact CD2-CD2 4.47Å; L66-F92 HydrophobicContact CD2-CE2 4.33Å; L66-F92 HydrophobicContact CD2-CZ 3.9Å; L66-F92 HydrophobicContact CG-CZ 4.48Å; L66-L106 CarbonylContact C-O 3.57Å; L66-L106 WeakPolarHBondContact CA-O 3.42Å; L66-I108 HydrophobicContact CD2-CD1 4.12Å; L66-F115 HydrophobicContact CD2-CZ 4.49Å
67N93.8Very high83.8Confident15 Ų1556.3 Ų56.38%0.0835%0.35CS..EExtended strand (participates in β ladder)trans-122.5105171.2-179.9-10.9000107.5G70 H71 L72 D101 L106 F107 I108N67-G70 WeakPolarHBondContact OD1-CA 3.48Å; N67-G70 PolarHBondContact OD1-N 2.85Å; N67-H71 CarbonylContact C-O 3.49Å; N67-H71 WeakPolarHBondContact CA-O 3.4Å; N67-L72 HydrophobicContact CB-CD2 3.97Å; N67-D101 PolarHBondContact ND2-OD2 3.21Å; N67-L106 PolarHBondContact N-O 2.73Å; N67-F107 HydrophobicContact CB-CD2 4.16Å; N67-F107 CarbonylContact O-C 3.37Å; N67-F107 WeakPolarHBondContact O-CA 3.39Å; N67-F107 WeakPolarHBondContact O-CD2 3.49Å; N67-I108 PolarHBondContact O-N 3.41Å
68V94.5Very high85.8Confident0 Ų054.1 Ų54.10%033%0.329CS..EExtended strand (participates in β ladder)trans-103.695.5-178.8-171.80000108L66 G70 H71 F73 I108 R110 F115L66-V68 HydrophobicContact CB-CG2 4.46Å; V68-G70 PolarHBondContact O-N 3.1Å; V68-G70 VanDerWaalsContact O-N 3.11Å; V68-H71 PolarHBondContact N-O 2.79Å; V68-H71 WeakPolarHBondContact O-CB 3.39Å; V68-H71 PolarHBondContact O-N 3.11Å; V68-H71 PolarHBondContact O-ND1 2.76Å; V68-F73 HydrophobicContact CB-CD2 4.29Å; V68-F73 HydrophobicContact CB-CE2 4.05Å; V68-F73 HydrophobicContact CG2-CD2 3.84Å; V68-F73 HydrophobicContact CG2-CE2 4.04Å; V68-I108 WeakPolarHBondContact CA-O 3.43Å; V68-I108 HydrophobicContact CB-CB 4.48Å; V68-I108 HydrophobicContact CG1-CB 4.25Å; V68-I108 HydrophobicContact CG1-CG2 4.33Å; V68-I108 HydrophobicContact CG2-CB 4.22Å; V68-I108 HydrophobicContact CG2-CD1 4.11Å; V68-I108 HydrophobicContact CG2-CG1 4.44Å; V68-R110 CarbonylContact C-O 3.59Å; V68-R110 VanDerWaalsContact C-O 3.26Å; V68-R110 HydrophobicContact CG1-CB 4.15Å; V68-R110 WeakPolarHBondContact CG1-O 3.23Å; V68-F115 HydrophobicContact CG1-CB 4.34Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD1 3.85Å; V68-F115 HydrophobicContact CG2-CD2 4.42Å; V68-F115 HydrophobicContact CG2-CE1 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.05Å; V68-F115 HydrophobicContact CG2-CZ 4.39Å
69G91.4Very high87.5Confident40 Ų4051 Ų5141%0.41231%0.313SS..THydrogen-bonded Turntrans55.431.7-179.100000114.3I108 R110G69-I108 PolarHBondContact N-O 3.34Å; G69-R110 WeakPolarHBondContact CA-O 3.18Å; G69-R110 PolarHBondContact N-O 3.37Å
70G91.8Very high88.8Confident53 Ų5347.7 Ų47.755%0.54629%0.29SS..THydrogen-bonded Turntrans103.4-14.9-176.300000114.7N67 V68N67-G70 WeakPolarHBondContact OD1-CA 3.48Å; N67-G70 PolarHBondContact OD1-N 2.85Å; V68-G70 PolarHBondContact O-N 3.1Å; V68-G70 VanDerWaalsContact O-N 3.11Å
71H95.3Very high90.3Very high78 Ų7844.8 Ų44.836%0.36127%0.273SS..EExtended strand (participates in β ladder)trans-86.7125.9177.8-64.680.2000111.1N67 V68 F73 D111 G112N67-H71 CarbonylContact C-O 3.49Å; N67-H71 WeakPolarHBondContact CA-O 3.4Å; V68-H71 PolarHBondContact N-O 2.79Å; V68-H71 WeakPolarHBondContact O-CB 3.39Å; V68-H71 PolarHBondContact O-N 3.11Å; V68-H71 PolarHBondContact O-ND1 2.76Å; H71-F73 HydrophobicContact CB-CD2 4.31Å; H71-F73 HydrophobicContact CB-CE2 3.47Å; H71-F73 VanDerWaalsContact CB-CE2 3.47Å; H71-F73 HydrophobicContact CB-CZ 4Å; H71-F73 WeakPolarHBondContact O-CD2 3.12Å; H71-D111 IonicContact CE1-OD1 3.55Å; H71-G112 WeakPolarHBondContact ND1-CA 3.34Å
72L95.1Very high91.4Very high101 Ų10147.4 Ų47.453%0.52927%0.269SS..EExtended strand (participates in β ladder)trans-93.9124.1-175.1-56.1178.8000111.1L66 N67L66-L72 WeakPolarHBondContact O-CA 3.11Å; N67-L72 HydrophobicContact CB-CD2 3.97Å
73F95Very high91.7Very high38 Ų3846.6 Ų46.617%0.16726%0.262CS..EExtended strand (participates in β ladder)trans-123.2147.9176.7-61.6-86.1000110.6Q65 L66 V68 H71 F115 L119Q65-F73 WeakPolarHBondContact CA-O 3.37Å; L66-F73 HydrophobicContact CB-CB 4.38Å; L66-F73 HydrophobicContact CD1-CB 4.33Å; L66-F73 PolarHBondContact N-O 3.11Å; L66-F73 PolarHBondContact O-N 3.11Å; V68-F73 HydrophobicContact CB-CD2 4.29Å; V68-F73 HydrophobicContact CB-CE2 4.05Å; V68-F73 HydrophobicContact CG2-CD2 3.84Å; V68-F73 HydrophobicContact CG2-CE2 4.04Å; H71-F73 HydrophobicContact CB-CD2 4.31Å; H71-F73 HydrophobicContact CB-CE2 3.47Å; H71-F73 VanDerWaalsContact CB-CE2 3.47Å; H71-F73 HydrophobicContact CB-CZ 4Å; H71-F73 WeakPolarHBondContact O-CD2 3.12Å; F73-F115 HydrophobicContact CB-CE1 4.43Å; F73-F115 HydrophobicContact CD1-CD1 4.06Å; F73-F115 AromaticContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CE1 4.1Å; F73-F115 HydrophobicContact CE1-CD1 4.09Å; F73-F115 HydrophobicContact CE2-CB 4Å; F73-F115 AromaticContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CG 4.19Å; F73-F115 AromaticContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CE1 4.12Å; F73-F115 HydrophobicContact CZ-CB 3.93Å; F73-F115 AromaticContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CG 4.39Å; F73-L119 HydrophobicContact CB-CD2 4.33Å; F73-L119 HydrophobicContact CD1-CD2 4.13Å
74S93.9Very high91.6Very high66 Ų6646.8 Ų46.846%0.46227%0.265SS..EExtended strand (participates in β ladder)trans-127.6131172-66.80000109.2R123S74-R123 PolarHBondContact O-NH2 2.82Å; S74-R123 VanDerWaalsContact O-NH2 3.08Å
75T93.6Very high91.5Very high9 Ų948.9 Ų48.96%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-158.3-178.3-178.5-164.20000110.6V63 V64 L66 L80 L119V63-T75 CarbonylContact C-O 3.45Å; V63-T75 WeakPolarHBondContact CA-O 3.42Å; V64-T75 HydrophobicContact CG2-CG2 4.02Å; V64-T75 WeakPolarHBondContact CG2-O 3.36Å; V64-T75 PolarHBondContact N-O 2.89Å; V64-T75 PolarHBondContact O-N 2.85Å; L66-T75 HydrophobicContact CD1-CG2 3.69Å; T75-L80 HydrophobicContact CG2-CD1 3.6Å; T75-L80 HydrophobicContact CG2-CD2 3.79Å; T75-L80 HydrophobicContact CG2-CG 3.59Å; T75-L119 HydrophobicContact CG2-CD1 4.05Å
76T91.3Very high91.4Very high37 Ų3743.8 Ų43.823%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-101.7156.2175.759.40000111.8S62 V63 S78 T79 L80S62-T76 WeakPolarHBondContact O-CA 3.4Å; V63-T76 HydrophobicContact CG2-CG2 4.43Å; T76-S78 WeakPolarHBondContact CB-OG 3.49Å; T76-S78 PolarHBondContact O-N 3.42Å; T76-S78 PolarHBondContact OG1-OG 2.83Å; T76-T79 PolarHBondContact O-N 2.86Å; T76-T79 VanDerWaalsContact O-N 3.17Å; T76-T79 PolarHBondContact OG1-N 2.92Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; T76-L80 PolarHBondContact O-N 2.81Å
77L88.2Confident91.2Very high0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-59.3-33.3171.6-72.3177.2000113.1L58 S62 V64 T79 L80 R81 F92L58-L77 HydrophobicContact CB-CD1 3.2Å; L58-L77 HydrophobicContact CD1-CD1 3.9Å; L58-L77 HydrophobicContact CG-CD1 4.07Å; S62-L77 PolarHBondContact O-N 2.9Å; S62-L77 VanDerWaalsContact O-N 3.09Å; V64-L77 HydrophobicContact CG1-CD1 4.43Å; V64-L77 HydrophobicContact CG1-CD2 3.66Å; V64-L77 HydrophobicContact CG1-CG 3.76Å; V64-L77 HydrophobicContact CG2-CD2 4.3Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 2.74Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L77-R81 PolarHBondContact O-N 3.02Å; L77-F92 HydrophobicContact CD2-CB 4.02Å; L77-F92 HydrophobicContact CD2-CD1 3.18Å; L77-F92 HydrophobicContact CD2-CE1 3.76Å; L77-F92 HydrophobicContact CD2-CG 3.76Å
78S89.6Confident90.8Very high53 Ų5346.9 Ų46.937%0.37126%0.264SS..Hα-helixtrans-58.8-4017552.40000112.8H60 T76 R82H60-S78 WeakPolarHBondContact O-CB 3.43Å; H60-S78 PolarHBondContact O-N 2.96Å; H60-S78 VanDerWaalsContact O-N 3.12Å; H60-S78 PolarHBondContact O-OG 2.85Å; T76-S78 WeakPolarHBondContact CB-OG 3.49Å; T76-S78 PolarHBondContact O-N 3.42Å; T76-S78 PolarHBondContact OG1-OG 2.83Å; S78-R82 PolarHBondContact O-N 2.84Å
79T91.7Very high90.5Very high20 Ų2047.2 Ų47.212%0.12327%0.267CS..Hα-helixtrans-67.5-47.2176.9-62.50000111.2T76 L77 R81 R82 L119 L122 R123T76-T79 PolarHBondContact O-N 2.86Å; T76-T79 VanDerWaalsContact O-N 3.17Å; T76-T79 PolarHBondContact OG1-N 2.92Å; T76-T79 PolarHBondContact OG1-OG1 2.92Å; L77-T79 VanDerWaalsContact C-N 3.3Å; L77-T79 PolarHBondContact O-N 2.74Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.05Å; T79-R82 WeakPolarHBondContact O-CB 3.41Å; T79-R82 PolarHBondContact O-N 3.3Å; T79-L119 HydrophobicContact CG2-CD1 3.88Å; T79-L122 HydrophobicContact CG2-CB 3.66Å; T79-R123 HydrophobicContact CG2-CG 3.64Å
80L89.6Confident90.1Very high0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-69.7-27.8-177.3-62.1174.1000113V64 L66 T75 T76 L77 V88 F92 L119 L122V64-L80 HydrophobicContact CG2-CD1 3.57Å; L66-L80 HydrophobicContact CD1-CD1 4.15Å; L66-L80 HydrophobicContact CD2-CD1 4.07Å; L66-L80 HydrophobicContact CD2-CD2 4.47Å; T75-L80 HydrophobicContact CG2-CD1 3.6Å; T75-L80 HydrophobicContact CG2-CD2 3.79Å; T75-L80 HydrophobicContact CG2-CG 3.59Å; T76-L80 PolarHBondContact O-N 2.81Å; L77-L80 PolarHBondContact O-N 3.09Å; L80-V88 HydrophobicContact CB-CG1 4.06Å; L80-V88 HydrophobicContact CD2-CG1 3.61Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; L80-F92 HydrophobicContact CB-CD2 4.14Å; L80-F92 HydrophobicContact CB-CE2 4.15Å; L80-F92 HydrophobicContact CD1-CD2 4.01Å; L80-F92 HydrophobicContact CD1-CE1 3.83Å; L80-F92 HydrophobicContact CD1-CE2 3.33Å; L80-F92 HydrophobicContact CD1-CZ 3.21Å; L80-F92 HydrophobicContact CG-CE2 4.26Å; L80-L119 HydrophobicContact CD2-CD1 4.09Å; L80-L122 HydrophobicContact CD2-CD1 4.41Å
81R89.4Confident89.5Confident74 Ų7450.5 Ų50.528%0.27926%0.258SS..THydrogen-bonded Turntrans-93.49.9175.4-64.9179.8177.6160.5-0.7113.6L77 T79 H83 F92L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 WeakPolarHBondContact O-CG 3.5Å; L77-R81 PolarHBondContact O-N 3.02Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.05Å; R81-H83 PolarHBondContact O-N 3.12Å; R81-F92 PolarHBondContact NE-O 2.99Å; R81-F92 PolarHBondContact NH2-O 2.92Å
82R89.8Confident88.6Confident145 Ų14547.4 Ų47.455%0.54724%0.244SC..SBendtrans-55.2-38.7179.5-175.966.1171.6-166.6-1.6112S78 T79 L122 E125S78-R82 PolarHBondContact O-N 2.84Å; T79-R82 WeakPolarHBondContact O-CB 3.41Å; T79-R82 PolarHBondContact O-N 3.3Å; R82-L122 HydrophobicContact CB-CD2 4.43Å; R82-E125 IonicContact NE-OE1 3.91Å
83H89.3Confident87.3Confident22 Ų2244.3 Ų44.310%0.10224%0.236CC..SBendtrans-115.199.6172.2-59.7-60.2000109.5R81 D85 S86 A89 F121 E125R81-H83 PolarHBondContact O-N 3.12Å; H83-D85 PolarHBondContact O-N 3.08Å; H83-S86 VanDerWaalsContact O-CB 3.31Å; H83-S86 WeakPolarHBondContact O-CB 3.01Å; H83-S86 PolarHBondContact O-N 3.07Å; H83-S86 PolarHBondContact O-OG 2.68Å; H83-A89 VanDerWaalsContact O-CB 3.23Å; H83-A89 WeakPolarHBondContact O-CB 3.38Å; H83-F121 AromaticContact NE2-CE1 3.61Å; H83-E125 IonicContact CE1-OE1 2.78Å; H83-E125 IonicContact NE2-OE1 3.8Å
84P86.6Confident85.5Confident106 Ų10648.3 Ų48.369%0.68827%0.269SS*.THydrogen-bonded Turntrans-68.3-18.4-172.727.4-35.2000113.8S86P84-S86 VanDerWaalsContact C-N 3.33Å
85D87.3Confident83.9Confident61 Ų6152.9 Ų52.933%0.32628%0.283SS..THydrogen-bonded Turntrans-87.5-1175.266.7-38.3000113.5H83 N143 K145H83-D85 PolarHBondContact O-N 3.08Å; D85-N143 PolarHBondContact O-ND2 2.71Å; D85-K145 WeakPolarHBondContact OD2-CD 3.45Å; D85-K145 WeakPolarHBondContact OD2-CE 3.32Å; D85-K145 IonicContact OD2-NZ 3.96Å; D85-K145 PolarHBondContact OD2-NZ 2.83Å
86S90.3Very high82.2Confident0 Ų056.5 Ų56.50%031%0.307CS..SBendtrans-79.3148.4174.772.70000111.5H83 P84 V88 A89 E90 N143H83-S86 VanDerWaalsContact O-CB 3.31Å; H83-S86 WeakPolarHBondContact O-CB 3.01Å; H83-S86 PolarHBondContact O-N 3.07Å; H83-S86 PolarHBondContact O-OG 2.68Å; P84-S86 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3Å; S86-A89 WeakPolarHBondContact O-CB 3.47Å; S86-A89 PolarHBondContact O-N 2.94Å; S86-A89 PolarHBondContact OG-N 2.91Å; S86-E90 PolarHBondContact O-N 3.08Å; S86-N143 WeakPolarHBondContact CA-O 3.17Å
87K87.3Confident80.9Confident82 Ų8264.2 Ų64.236%0.35734%0.337SS..Hα-helixtrans-59.2-34.7173.8-171.5-178.4179.6-173.70111A89 E90 L91 H141 Y142 N143K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 3.41Å; K87-E90 WeakPolarHBondContact O-CB 3.22Å; K87-E90 PolarHBondContact O-N 3.06Å; K87-L91 WeakPolarHBondContact O-CG 3.48Å; K87-L91 PolarHBondContact O-N 3.01Å; K87-H141 VanDerWaalsContact CD-O 3.3Å; K87-H141 WeakPolarHBondContact CD-O 3.38Å; K87-H141 PolarHBondContact NZ-CE1 2.89Å; K87-H141 PolarHBondContact NZ-NE2 3.1Å; K87-Y142 WeakPolarHBondContact CB-O 3.36Å; K87-Y142 PolarHBondContact N-O 3.03Å; K87-N143 HydrophobicContact CB-CB 4.46Å
88V86.9Confident80Confident0 Ų065.6 Ų65.60%035%0.345CS..Hα-helixtrans-61.9-40.4176.8177.80000110.8L80 S86 L91 F92 Y142L80-V88 HydrophobicContact CB-CG1 4.06Å; L80-V88 HydrophobicContact CD2-CG1 3.61Å; L80-V88 HydrophobicContact CG-CG1 4.38Å; S86-V88 PolarHBondContact O-N 3Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 3.35Å; V88-F92 WeakPolarHBondContact O-CD2 3.38Å; V88-Y142 HydrophobicContact CG2-CD1 3.29Å; V88-Y142 HydrophobicContact CG2-CE1 4.13Å; V88-Y142 HydrophobicContact CG2-CG 3.57Å
89A86.6Confident79.5Confident7 Ų767 Ų676%0.05836%0.355CS..Hα-helixtrans-67.6-36.817600000112.6H83 S86 K87 L91 F92 G93H83-A89 VanDerWaalsContact O-CB 3.23Å; H83-A89 WeakPolarHBondContact O-CB 3.38Å; S86-A89 WeakPolarHBondContact O-CB 3.47Å; S86-A89 PolarHBondContact O-N 2.94Å; S86-A89 PolarHBondContact OG-N 2.91Å; K87-A89 VanDerWaalsContact C-N 3.32Å; K87-A89 PolarHBondContact O-N 3.41Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.28Å; A89-F92 CarbonylContact O-C 3.54Å; A89-F92 PolarHBondContact O-N 3.1Å; A89-G93 PolarHBondContact O-N 3.42Å
90E84.8Confident79.2Confident129 Ų12970.3 Ų70.360%0.60338%0.375SS*.Hα-helixtrans-61.4-34.3176.7-66.3-176.8173.600112.8S86 K87 F92 G93S86-E90 PolarHBondContact O-N 3.08Å; K87-E90 WeakPolarHBondContact O-CB 3.22Å; K87-E90 PolarHBondContact O-N 3.06Å; E90-F92 PolarHBondContact O-N 3.17Å; E90-F92 VanDerWaalsContact O-N 3.08Å; E90-G93 PolarHBondContact O-N 3.17Å
91L79.1Confident79.1Confident33 Ų3371.5 Ų71.517%0.17338%0.382CS..THydrogen-bonded Turntrans-56.4-26.2175.3-62.4179.3000112.3K87 V88 A89 P96 V98 I108K87-L91 WeakPolarHBondContact O-CG 3.48Å; K87-L91 PolarHBondContact O-N 3.01Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 3.35Å; A89-L91 VanDerWaalsContact C-N 3.28Å; A89-L91 PolarHBondContact O-N 3.28Å; L91-P96 WeakPolarHBondContact O-CB 3.38Å; L91-V98 HydrophobicContact CB-CG2 3.7Å; L91-V98 HydrophobicContact CD2-CG2 3.36Å; L91-V98 HydrophobicContact CG-CG2 3.98Å; L91-I108 HydrophobicContact CD1-CD1 3.68Å; L91-I108 HydrophobicContact CD1-CG1 4.1Å
92F75.4Confident78.9Confident13 Ų1372.7 Ų72.76%0.05741%0.407CS..THydrogen-bonded Turntrans-110.114.9-179.6-60.1-92000112.7V64 L66 L77 L80 R81 V88 A89 E90 L106V64-F92 HydrophobicContact CB-CE1 4.27Å; V64-F92 HydrophobicContact CG1-CE1 4.26Å; V64-F92 HydrophobicContact CG2-CE1 4.08Å; V64-F92 HydrophobicContact CG2-CZ 4.44Å; L66-F92 HydrophobicContact CD2-CE2 4.33Å; L66-F92 HydrophobicContact CD2-CZ 3.9Å; L66-F92 HydrophobicContact CG-CZ 4.48Å; L77-F92 HydrophobicContact CD2-CB 4.02Å; L77-F92 HydrophobicContact CD2-CD1 3.18Å; L77-F92 HydrophobicContact CD2-CE1 3.76Å; L77-F92 HydrophobicContact CD2-CG 3.76Å; L80-F92 HydrophobicContact CB-CD2 4.14Å; L80-F92 HydrophobicContact CB-CE2 4.15Å; L80-F92 HydrophobicContact CD1-CD2 4.01Å; L80-F92 HydrophobicContact CD1-CE1 3.83Å; L80-F92 HydrophobicContact CD1-CE2 3.33Å; L80-F92 HydrophobicContact CD1-CZ 3.21Å; L80-F92 HydrophobicContact CG-CE2 4.26Å; R81-F92 PolarHBondContact NE-O 2.99Å; R81-F92 PolarHBondContact NH2-O 2.92Å; V88-F92 WeakPolarHBondContact O-CD2 3.38Å; A89-F92 CarbonylContact O-C 3.54Å; A89-F92 PolarHBondContact O-N 3.1Å; E90-F92 PolarHBondContact O-N 3.17Å; E90-F92 VanDerWaalsContact O-N 3.08Å; F92-L106 HydrophobicContact CD1-CD1 3.93Å; F92-L106 HydrophobicContact CE1-CD1 3.05Å; F92-L106 HydrophobicContact CZ-CD1 3.43Å; F92-L106 VanDerWaalsContact CZ-CD1 3.43Å
93G68.2Low78.7Confident35 Ų3572 Ų7236%0.36141%0.41SS..SBendtrans-71.3-170.3175.500000113.4A89 E90 Q95A89-G93 PolarHBondContact O-N 3.42Å; E90-G93 PolarHBondContact O-N 3.17Å; G93-Q95 PolarHBondContact O-N 3.45Å
94S57.6Low78.4Confident123 Ų12373.3 Ų73.386%0.8643%0.43SS*.SBendtrans-62.5-12.1-175.4-51.70000115.1
95Q58.9Low78.5Confident162 Ų16270.4 Ų70.476%0.75741%0.406SS*.SBendtrans-141.291.4174.5-68.6-65.6-65.300108.7G93 K97G93-Q95 PolarHBondContact O-N 3.45Å; Q95-K97 PolarHBondContact O-N 3.34Å
96P59.6Low78.6Confident85 Ų8569.1 Ų69.155%0.55240%0.399SS*.  trans-64.8112178.824.1-30.9000109.4L91 V98L91-P96 WeakPolarHBondContact O-CB 3.38Å; P96-V98 PolarHBondContact O-N 2.77Å; P96-V98 VanDerWaalsContact O-N 3.11Å
97K62Low78.6Confident199 Ų19972.2 Ų72.287%0.86541%0.412SS*.  trans-77.419.9175.3-69.5-178.9179.7171.40112.8Q95Q95-K97 PolarHBondContact O-N 3.34Å
98V70.1Confident78.7Confident28 Ų2869 Ų6917%0.1740%0.398CS..  trans-112.3130.4-163.2-1650000110.4L91 P96 L106 F107L91-V98 HydrophobicContact CB-CG2 3.7Å; L91-V98 HydrophobicContact CD2-CG2 3.36Å; L91-V98 HydrophobicContact CG-CG2 3.98Å; P96-V98 PolarHBondContact O-N 2.77Å; P96-V98 VanDerWaalsContact O-N 3.11Å; V98-L106 HydrophobicContact CB-CD2 4.24Å; V98-L106 HydrophobicContact CG1-CB 4.46Å; V98-L106 HydrophobicContact CG1-CD2 4.33Å; V98-F107 WeakPolarHBondContact CG1-O 3.45Å
99S79.1Confident78.9Confident83 Ų8375.5 Ų75.558%0.5843%0.434SS*.  trans-67.6149.1172.9-41.60000110.3F107S99-F107 WeakPolarHBondContact O-CB 3.41Å; S99-F107 PolarHBondContact O-N 3.18Å
100T86.4Confident79.2Confident89 Ų8979 Ų7955%0.54645%0.445SS..BIsolated β-bridgetrans-101.2149.416752.90000110.3R105 L106T100-R105 CarbonylContact C-O 3.54Å; T100-R105 WeakPolarHBondContact CA-O 3.32Å; T100-L106 HydrophobicContact CG2-CD2 4.18Å
101D86.9Confident79.5Confident25 Ų2576.8 Ų76.813%0.13444%0.437CS..  trans-77.1-179.817171.810.1000112N67 Q103 G104 R105N67-D101 PolarHBondContact ND2-OD2 3.21Å; D101-Q103 PolarHBondContact O-N 2.94Å; D101-Q103 WeakPolarHBondContact OD1-CA 3.41Å; D101-Q103 PolarHBondContact OD1-N 3.2Å; D101-G104 PolarHBondContact O-N 3.3Å; D101-G104 PolarHBondContact OD1-N 3.42Å; D101-G104 VanDerWaalsContact OD1-N 3.15Å; D101-R105 PolarHBondContact N-O 3.36Å; D101-R105 WeakPolarHBondContact OD1-CB 3.49Å; D101-R105 PolarHBondContact OD1-N 3.17Å; D101-R105 IonicContact OD1-NE 2.73Å; D101-R105 IonicContact OD2-CZ 3.14Å; D101-R105 IonicContact OD2-NE 3.78Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 2.74Å; D101-R105 PolarHBondContact OD2-NH2 3.23Å
102A85.8Confident80.2Confident99 Ų9975.2 Ų75.282%0.81843%0.43SS*.THydrogen-bonded Turntrans-61.1-16.8-178.900000113.9
103Q85.1Confident81.1Confident130 Ų13078 Ų7861%0.60745%0.45SS*.THydrogen-bonded Turntrans-101.25.4178.2-67.57336.400112.2D101 R105D101-Q103 PolarHBondContact O-N 2.94Å; D101-Q103 WeakPolarHBondContact OD1-CA 3.41Å; D101-Q103 PolarHBondContact OD1-N 3.2Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 HydrophobicContact CB-CG 4.36Å
104G83.3Confident82.5Confident51 Ų5178.2 Ų78.253%0.52644%0.442SS..SBendtrans77.713.2-179.800000114.2D101D101-G104 PolarHBondContact O-N 3.3Å; D101-G104 PolarHBondContact OD1-N 3.42Å; D101-G104 VanDerWaalsContact OD1-N 3.15Å
105R88.5Confident84.3Confident45 Ų4572.3 Ų72.317%0.1740%0.401CS..PPolyproline II helixtrans-84.7149176.3-54.3172.8-66.2-156.40.1109.6Q65 T100 D101 Q103 F107Q65-R105 HydrophobicContact CB-CB 4.22Å; Q65-R105 HydrophobicContact CB-CG 3.84Å; T100-R105 CarbonylContact C-O 3.54Å; T100-R105 WeakPolarHBondContact CA-O 3.32Å; D101-R105 PolarHBondContact N-O 3.36Å; D101-R105 WeakPolarHBondContact OD1-CB 3.49Å; D101-R105 PolarHBondContact OD1-N 3.17Å; D101-R105 IonicContact OD1-NE 2.73Å; D101-R105 IonicContact OD2-CZ 3.14Å; D101-R105 IonicContact OD2-NE 3.78Å; D101-R105 PolarHBondContact OD2-NE 3.32Å; D101-R105 IonicContact OD2-NH2 2.74Å; D101-R105 PolarHBondContact OD2-NH2 3.23Å; Q103-R105 VanDerWaalsContact C-N 3.32Å; Q103-R105 HydrophobicContact CB-CG 4.36Å; R105-F107 PolarHBondContact O-N 3.07Å
106L88.2Confident86Confident34 Ų3466.1 Ų66.118%0.17838%0.38CS..EExtended strand (participates in β ladder)trans-70.9126.1-179.5-69.6166.8000110.4Q65 L66 N67 F92 V98 T100Q65-L106 PolarHBondContact O-N 3.45Å; Q65-L106 VanDerWaalsContact O-N 3.1Å; L66-L106 CarbonylContact C-O 3.57Å; L66-L106 WeakPolarHBondContact CA-O 3.42Å; N67-L106 PolarHBondContact N-O 2.73Å; F92-L106 HydrophobicContact CD1-CD1 3.93Å; F92-L106 HydrophobicContact CE1-CD1 3.05Å; F92-L106 HydrophobicContact CZ-CD1 3.43Å; F92-L106 VanDerWaalsContact CZ-CD1 3.43Å; V98-L106 HydrophobicContact CB-CD2 4.24Å; V98-L106 HydrophobicContact CG1-CB 4.46Å; V98-L106 HydrophobicContact CG1-CD2 4.33Å; T100-L106 HydrophobicContact CG2-CD2 4.18Å
107F90.3Very high87.7Confident64 Ų6463.5 Ų63.528%0.28137%0.366SS..EExtended strand (participates in β ladder)trans-101.3125.7-175.5-178.9-106.5000111.7N67 V98 S99 R105 D109N67-F107 HydrophobicContact CB-CD2 4.16Å; N67-F107 CarbonylContact O-C 3.37Å; N67-F107 WeakPolarHBondContact O-CA 3.39Å; N67-F107 WeakPolarHBondContact O-CD2 3.49Å; V98-F107 WeakPolarHBondContact CG1-O 3.45Å; S99-F107 WeakPolarHBondContact O-CB 3.41Å; S99-F107 PolarHBondContact O-N 3.18Å; R105-F107 PolarHBondContact O-N 3.07Å; F107-D109 HydrophobicContact CE1-CB 3.86Å; F107-D109 HydrophobicContact CZ-CB 4.38Å
108I90.8Very high89.4Confident14 Ų1454 Ų547%0.07233%0.325CS..EExtended strand (participates in β ladder)trans-111.7120.4172-56-177.9000107.4L66 N67 V68 G69 L91 R110 Y142L66-I108 HydrophobicContact CD2-CD1 4.12Å; N67-I108 PolarHBondContact O-N 3.41Å; V68-I108 WeakPolarHBondContact CA-O 3.43Å; V68-I108 HydrophobicContact CB-CB 4.48Å; V68-I108 HydrophobicContact CG1-CB 4.25Å; V68-I108 HydrophobicContact CG1-CG2 4.33Å; V68-I108 HydrophobicContact CG2-CB 4.22Å; V68-I108 HydrophobicContact CG2-CD1 4.11Å; V68-I108 HydrophobicContact CG2-CG1 4.44Å; G69-I108 PolarHBondContact N-O 3.34Å; L91-I108 HydrophobicContact CD1-CD1 3.68Å; L91-I108 HydrophobicContact CD1-CG1 4.1Å; I108-R110 HydrophobicContact CG2-CB 3.95Å; I108-R110 HydrophobicContact CG2-CG 3.87Å; I108-R110 PolarHBondContact O-N 3.37Å; I108-Y142 HydrophobicContact CG2-CE1 4.41Å
109D90.9Very high90.6Very high138 Ų13852.8 Ų52.874%0.73832%0.317SS*.  trans-7967176.9-169.624.7000111.2F107F107-D109 HydrophobicContact CE1-CB 3.86Å; F107-D109 HydrophobicContact CZ-CB 4.38Å
110R91.8Very high91.4Very high81 Ų8152.3 Ų52.331%0.30631%0.306SS..SBendtrans-145.7158.1178.4-70.2-64.1-75.3178.3-3.6110.3V68 G69 I108 G112 E138 H141V68-R110 CarbonylContact C-O 3.59Å; V68-R110 VanDerWaalsContact C-O 3.26Å; V68-R110 HydrophobicContact CG1-CB 4.15Å; V68-R110 WeakPolarHBondContact CG1-O 3.23Å; G69-R110 WeakPolarHBondContact CA-O 3.18Å; G69-R110 PolarHBondContact N-O 3.37Å; I108-R110 HydrophobicContact CG2-CB 3.95Å; I108-R110 HydrophobicContact CG2-CG 3.87Å; I108-R110 PolarHBondContact O-N 3.37Å; R110-G112 PolarHBondContact O-N 3.31Å; R110-E138 IonicContact CZ-OE1 3.92Å; R110-E138 IonicContact NE-OE1 3.81Å; R110-E138 IonicContact NE-OE2 2.79Å; R110-E138 IonicContact NH2-OE1 3.81Å; R110-E138 PolarHBondContact NH2-OE1 3.21Å; R110-E138 IonicContact NH2-OE2 3.69Å; R110-H141 WeakPolarHBondContact CD-CE1 3.48Å; R110-H141 WeakPolarHBondContact CD-NE2 3.27Å; R110-H141 VanDerWaalsContact CZ-ND1 3.34Å; R110-H141 PolarHBondContact NE-CE1 3.42Å; R110-H141 PolarHBondContact NE-ND1 3.21Å
111D91.8Very high91.8Very high81 Ų8148 Ų4843%0.43328%0.28SS..  trans-66.7128.6171.8179.630.7000110.6H71 S113H71-D111 IonicContact CE1-OD1 3.55Å; D111-S113 VanDerWaalsContact CG-OG 3.3Å; D111-S113 PolarHBondContact OD1-N 2.91Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 VanDerWaalsContact OD2-CB 3.27Å; D111-S113 WeakPolarHBondContact OD2-CB 3.41Å; D111-S113 PolarHBondContact OD2-OG 3.26Å
112G93.2Very high92.2Very high1 Ų147 Ų471%0.0127%0.274CS..  trans-87.7-7.7-176.600000114.4H71 R110 H114 F115H71-G112 WeakPolarHBondContact ND1-CA 3.34Å; R110-G112 PolarHBondContact O-N 3.31Å; G112-H114 VanDerWaalsContact C-N 3.26Å; G112-H114 PolarHBondContact O-N 2.72Å; G112-H114 VanDerWaalsContact O-N 3.17Å; G112-F115 WeakPolarHBondContact O-CB 3.43Å; G112-F115 PolarHBondContact O-N 3.28Å; G112-F115 VanDerWaalsContact O-N 3.1Å
113S95.5Very high92.6Very high70 Ų7048.1 Ų48.149%0.4926%0.257SS..THydrogen-bonded Turntrans-52.7-41.7-173.3-55.20000113.2D111D111-S113 VanDerWaalsContact CG-OG 3.3Å; D111-S113 PolarHBondContact OD1-N 2.91Å; D111-S113 PolarHBondContact OD1-OG 3.47Å; D111-S113 VanDerWaalsContact OD2-CB 3.27Å; D111-S113 WeakPolarHBondContact OD2-CB 3.41Å; D111-S113 PolarHBondContact OD2-OG 3.26Å
114H96Very high93Very high40 Ų4044.1 Ų44.119%0.18524%0.244CC..THydrogen-bonded Turntrans-103.1-3.1-177.1-56.497.8000113.5G112 G116 A117 V118 E134 V135 E138G112-H114 VanDerWaalsContact C-N 3.26Å; G112-H114 PolarHBondContact O-N 2.72Å; G112-H114 VanDerWaalsContact O-N 3.17Å; H114-G116 PolarHBondContact O-N 3.25Å; H114-A117 PolarHBondContact O-N 3.33Å; H114-V118 PolarHBondContact O-N 3.46Å; H114-E134 VanDerWaalsContact CE1-CB 3.48Å; H114-E134 WeakPolarHBondContact CE1-CB 3.16Å; H114-E134 WeakPolarHBondContact NE2-CB 3.03Å; H114-V135 HydrophobicContact CB-CG2 4.18Å; H114-E138 HydrophobicContact CB-CG 4.09Å
115F95.6Very high93.4Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-65-27.5-179-172.9-102.6000112.4L66 V68 F73 G112 A117 V118 L119 Y142L66-F115 HydrophobicContact CD2-CZ 4.49Å; V68-F115 HydrophobicContact CG1-CB 4.34Å; V68-F115 HydrophobicContact CG1-CG 4.37Å; V68-F115 HydrophobicContact CG2-CD1 3.85Å; V68-F115 HydrophobicContact CG2-CD2 4.42Å; V68-F115 HydrophobicContact CG2-CE1 4.02Å; V68-F115 HydrophobicContact CG2-CG 4.05Å; V68-F115 HydrophobicContact CG2-CZ 4.39Å; F73-F115 HydrophobicContact CB-CE1 4.43Å; F73-F115 HydrophobicContact CD1-CD1 4.06Å; F73-F115 AromaticContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CD1 3.56Å; F73-F115 HydrophobicContact CD2-CE1 4.1Å; F73-F115 HydrophobicContact CE1-CD1 4.09Å; F73-F115 HydrophobicContact CE2-CB 4Å; F73-F115 AromaticContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CD1 3.57Å; F73-F115 HydrophobicContact CE2-CG 4.19Å; F73-F115 AromaticContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CD1 3.81Å; F73-F115 HydrophobicContact CG-CE1 4.12Å; F73-F115 HydrophobicContact CZ-CB 3.93Å; F73-F115 AromaticContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CD1 3.86Å; F73-F115 HydrophobicContact CZ-CG 4.39Å; G112-F115 WeakPolarHBondContact O-CB 3.43Å; G112-F115 PolarHBondContact O-N 3.28Å; G112-F115 VanDerWaalsContact O-N 3.1Å; F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.09Å; F115-V118 PolarHBondContact O-N 3.33Å; F115-L119 HydrophobicContact CE1-CB 4.4Å; F115-L119 HydrophobicContact CE1-CD2 4.47Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 2.86Å; F115-Y142 HydrophobicContact CD2-CD2 4.42Å; F115-Y142 HydrophobicContact CD2-CE1 4.41Å; F115-Y142 AromaticContact CD2-CE2 3.6Å; F115-Y142 HydrophobicContact CD2-CE2 3.6Å; F115-Y142 AromaticContact CD2-CZ 3.61Å; F115-Y142 HydrophobicContact CE2-CE1 4.2Å; F115-Y142 HydrophobicContact CE2-CE2 4.01Å; F115-Y142 AromaticContact CE2-CZ 3.84Å
116G95.4Very high93.7Very high32 Ų3248.4 Ų48.433%0.3325%0.25SC..Hα-helixtrans-58.1-43174.700000113.1H114 L119 E120H114-G116 PolarHBondContact O-N 3.25Å; G116-L119 PolarHBondContact O-N 3.08Å; G116-E120 PolarHBondContact O-N 3.42Å
117A95.8Very high94Very high30 Ų3050 Ų5025%0.24826%0.258CS..Hα-helixtrans-67.3-41177.600000111.9H114 F115 L119 E120 F121 P128 V135H114-A117 PolarHBondContact O-N 3.33Å; F115-A117 VanDerWaalsContact C-N 3.33Å; F115-A117 PolarHBondContact O-N 3.09Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.08Å; A117-E120 PolarHBondContact O-N 2.79Å; A117-F121 PolarHBondContact O-N 3.37Å; A117-P128 HydrophobicContact CB-CB 4.25Å; A117-V135 HydrophobicContact CB-CG1 4.09Å; A117-V135 HydrophobicContact CB-CG2 3.67Å
118V95.8Very high94.1Very high0 Ų047.7 Ų47.70%025%0.25CC..Hα-helixtrans-59.4-44.8173.2176.30000110.7H114 F115 F121 L122 V135 E138 Y142 I144 L147H114-V118 PolarHBondContact O-N 3.46Å; F115-V118 PolarHBondContact O-N 3.33Å; V118-F121 WeakPolarHBondContact O-CB 3.17Å; V118-F121 PolarHBondContact O-N 2.93Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.18Å; V118-L122 VanDerWaalsContact O-N 3.08Å; V118-V135 HydrophobicContact CG2-CG1 4.29Å; V118-E138 HydrophobicContact CG2-CB 3.91Å; V118-Y142 HydrophobicContact CG1-CD2 4.09Å; V118-Y142 HydrophobicContact CG2-CD2 4.34Å; V118-I144 HydrophobicContact CG1-CD1 3.3Å; V118-L147 HydrophobicContact CG2-CD2 4.35Å
119L95.3Very high94.1Very high2 Ų252.8 Ų52.81%0.0128%0.282CS..Hα-helixtrans-67.1-37.8179.8-172.961.2000112.2F73 T75 T79 L80 F115 G116 A117 F121 L122 R123F73-L119 HydrophobicContact CB-CD2 4.33Å; F73-L119 HydrophobicContact CD1-CD2 4.13Å; T75-L119 HydrophobicContact CG2-CD1 4.05Å; T79-L119 HydrophobicContact CG2-CD1 3.88Å; L80-L119 HydrophobicContact CD2-CD1 4.09Å; F115-L119 HydrophobicContact CE1-CB 4.4Å; F115-L119 HydrophobicContact CE1-CD2 4.47Å; F115-L119 WeakPolarHBondContact O-CB 3.36Å; F115-L119 PolarHBondContact O-N 2.86Å; G116-L119 PolarHBondContact O-N 3.08Å; A117-L119 VanDerWaalsContact C-N 3.31Å; A117-L119 PolarHBondContact O-N 3.08Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-L122 PolarHBondContact O-N 3.37Å; L119-R123 WeakPolarHBondContact O-CG 3.31Å; L119-R123 PolarHBondContact O-N 3.23Å; L119-R123 VanDerWaalsContact O-N 3.09Å
120E96.1Very high94.2Very high72 Ų7252.9 Ų52.934%0.33628%0.277SS..Hα-helixtrans-63.8-41.2175-173.254.9-149.300111.4G116 A117 L122 R123 S124G116-E120 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 2.79Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.06Å; E120-R123 PolarHBondContact O-N 3.25Å; E120-R123 VanDerWaalsContact O-N 3.08Å; E120-R123 IonicContact OE2-NH1 3.85Å; E120-S124 PolarHBondContact O-N 3.41Å; E120-S124 PolarHBondContact O-OG 3.41Å; E120-S124 PolarHBondContact OE1-OG 3.41Å
121F96.1Very high94.2Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-57.7-45.7171.7178.7-93.6000111.9H83 A117 V118 L119 R123 E125 K126 L127 I144 P146 L147 R150H83-F121 AromaticContact NE2-CE1 3.61Å; A117-F121 PolarHBondContact O-N 3.37Å; V118-F121 WeakPolarHBondContact O-CB 3.17Å; V118-F121 PolarHBondContact O-N 2.93Å; L119-F121 VanDerWaalsContact C-N 3.34Å; F121-R123 PolarHBondContact O-N 3.47Å; F121-E125 WeakPolarHBondContact CZ-OE2 3.46Å; F121-E125 WeakPolarHBondContact O-CA 3.45Å; F121-E125 PolarHBondContact O-N 3.26Å; F121-K126 WeakPolarHBondContact CA-O 3.49Å; F121-K126 WeakPolarHBondContact CD2-O 3.5Å; F121-L127 HydrophobicContact CD2-CD2 4.05Å; F121-L127 HydrophobicContact CE2-CD2 3.99Å; F121-I144 HydrophobicContact CD1-CG2 4.14Å; F121-I144 HydrophobicContact CE1-CG2 3.85Å; F121-P146 HydrophobicContact CE1-CB 4.42Å; F121-P146 HydrophobicContact CZ-CB 4.07Å; F121-L147 HydrophobicContact CB-CD1 4.22Å; F121-L147 HydrophobicContact CB-CD2 4.28Å; F121-L147 HydrophobicContact CD1-CB 3.81Å; F121-L147 HydrophobicContact CD1-CD1 4.29Å; F121-L147 HydrophobicContact CD1-CD2 4.19Å; F121-L147 HydrophobicContact CD1-CG 4.31Å; F121-L147 HydrophobicContact CD2-CB 4.37Å; F121-L147 HydrophobicContact CD2-CD1 3.58Å; F121-L147 HydrophobicContact CD2-CG 4.44Å; F121-L147 HydrophobicContact CE1-CB 3.65Å; F121-L147 HydrophobicContact CE2-CB 4.19Å; F121-L147 HydrophobicContact CE2-CD1 3.93Å; F121-L147 HydrophobicContact CG-CB 4.18Å; F121-L147 HydrophobicContact CG-CD1 3.75Å; F121-L147 HydrophobicContact CG-CD2 4.17Å; F121-L147 HydrophobicContact CG-CG 4.25Å; F121-L147 HydrophobicContact CZ-CB 3.84Å; F121-L147 HydrophobicContact CZ-CD1 4.46Å; F121-R150 VanDerWaalsContact CE2-NH1 3.32Å
122L93.8Very high94.3Very high3 Ų349.3 Ų49.32%0.01626%0.264CS..Hα-helixtrans-63.6-24.6177.5-66.2176.6000113.5T79 L80 R82 V118 L119 E120 I144T79-L122 HydrophobicContact CG2-CB 3.66Å; L80-L122 HydrophobicContact CD2-CD1 4.41Å; R82-L122 HydrophobicContact CB-CD2 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.18Å; V118-L122 VanDerWaalsContact O-N 3.08Å; L119-L122 PolarHBondContact O-N 3.37Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.06Å; L122-I144 HydrophobicContact CD1-CD1 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.2Å; L122-I144 HydrophobicContact CD2-CG2 4.46Å; L122-I144 HydrophobicContact CG-CD1 4.47Å
123R94.6Very high94.3Very high122 Ų12252 Ų5246%0.4628%0.282SS..Hα-helixtrans-84.4-48.8179.2-73171.7177.7159.9-2.4112.6S74 T79 L119 E120 F121S74-R123 PolarHBondContact O-NH2 2.82Å; S74-R123 VanDerWaalsContact O-NH2 3.08Å; T79-R123 HydrophobicContact CG2-CG 3.64Å; L119-R123 WeakPolarHBondContact O-CG 3.31Å; L119-R123 PolarHBondContact O-N 3.23Å; L119-R123 VanDerWaalsContact O-N 3.09Å; E120-R123 PolarHBondContact O-N 3.25Å; E120-R123 VanDerWaalsContact O-N 3.08Å; E120-R123 IonicContact OE2-NH1 3.85Å; F121-R123 PolarHBondContact O-N 3.47Å
124S93.6Very high94.2Very high47 Ų4752.6 Ų52.633%0.32928%0.277SS..Hα-helixtrans-128.11.6-164.466.70000114.1E120 K126E120-S124 PolarHBondContact O-N 3.41Å; E120-S124 PolarHBondContact O-OG 3.41Å; E120-S124 PolarHBondContact OE1-OG 3.41Å; S124-K126 PolarHBondContact O-N 3.24Å; S124-K126 VanDerWaalsContact O-N 3.15Å; S124-K126 WeakPolarHBondContact OG-CB 3.28Å; S124-K126 WeakPolarHBondContact OG-CD 3.41Å; S124-K126 VanDerWaalsContact OG-CG 3.29Å; S124-K126 WeakPolarHBondContact OG-CG 3.48Å
125E93Very high94.2Very high51 Ų5150.8 Ų50.824%0.23827%0.269CS..  trans61.313.9-176.3-63.9-84.6169.800113.6R82 H83 F121 R150R82-E125 IonicContact NE-OE1 3.91Å; H83-E125 IonicContact CE1-OE1 2.78Å; H83-E125 IonicContact NE2-OE1 3.8Å; F121-E125 WeakPolarHBondContact CZ-OE2 3.46Å; F121-E125 WeakPolarHBondContact O-CA 3.45Å; F121-E125 PolarHBondContact O-N 3.26Å; E125-R150 PolarHBondContact O-NH1 2.84Å; E125-R150 IonicContact OE2-CZ 2.89Å; E125-R150 VanDerWaalsContact OE2-CZ 3.29Å; E125-R150 IonicContact OE2-NH1 3.75Å; E125-R150 PolarHBondContact OE2-NH1 3.33Å; E125-R150 IonicContact OE2-NH2 3.66Å; E125-R150 PolarHBondContact OE2-NH2 2.68Å
126K94.2Very high94.2Very high135 Ų13552.8 Ų52.859%0.58728%0.277SS*.PPolyproline II helixtrans-76.8139.5178.1-70.8-179.7-176.4175.90111.5F121 S124F121-K126 WeakPolarHBondContact CA-O 3.49Å; F121-K126 WeakPolarHBondContact CD2-O 3.5Å; S124-K126 PolarHBondContact O-N 3.24Å; S124-K126 VanDerWaalsContact O-N 3.15Å; S124-K126 WeakPolarHBondContact OG-CB 3.28Å; S124-K126 WeakPolarHBondContact OG-CD 3.41Å; S124-K126 VanDerWaalsContact OG-CG 3.29Å; S124-K126 WeakPolarHBondContact OG-CG 3.48Å
127L93.7Very high94.2Very high66 Ų6655.1 Ų55.135%0.34628%0.284SS..PPolyproline II helixtrans-86.9149.1176.4-62176.8000111.1F121 L147 R150 L151 M154F121-L127 HydrophobicContact CD2-CD2 4.05Å; F121-L127 HydrophobicContact CE2-CD2 3.99Å; L127-L147 HydrophobicContact CD2-CD1 3.87Å; L127-R150 HydrophobicContact CD1-CB 3.94Å; L127-R150 HydrophobicContact CD2-CB 3.63Å; L127-R150 HydrophobicContact CD2-CG 4.45Å; L127-R150 HydrophobicContact CG-CB 4.39Å; L127-L151 HydrophobicContact CD2-CD2 4.38Å; L127-M154 HydrophobicContact CD1-SD 4.43Å
128P93.4Very high94.2Very high17 Ų1754.3 Ų54.311%0.1128%0.276CS..PPolyproline II helixtrans-63.6148170.830.8-38.1000111A117 I132 V135 L151A117-P128 HydrophobicContact CB-CB 4.25Å; P128-I132 HydrophobicContact CG-CG1 4.44Å; P128-V135 HydrophobicContact CB-CG1 4.47Å; P128-V135 HydrophobicContact CB-CG2 4.16Å; P128-V135 HydrophobicContact CG-CB 4.08Å; P128-V135 HydrophobicContact CG-CG1 3.87Å; P128-V135 HydrophobicContact CG-CG2 4.26Å; P128-L151 HydrophobicContact CG-CD2 3.67Å
129T91Very high94.2Very high121 Ų12154.3 Ų54.374%0.74228%0.276SS*.SBendtrans-102.7-9.4171.952.80000112.8
130E91.9Very high94.1Very high139 Ų13957.5 Ų57.565%0.6530%0.295SS*.SBendtrans-139.2155.7-175.2-62.9179.9-178.800109.4I132E130-I132 PolarHBondContact O-N 3.07Å
131N93.3Very high94Very high85 Ų8556.4 Ų56.446%0.45529%0.289SS..  trans52.639.1179.2-49.1-57.4000112.5E134 V135N131-E134 WeakPolarHBondContact CA-OE2 3.47Å; N131-E134 HydrophobicContact CB-CB 4.27Å; N131-E134 WeakPolarHBondContact CB-OE2 3.29Å; N131-E134 PolarHBondContact O-N 3.24Å; N131-V135 VanDerWaalsContact O-CG2 3.28Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.89Å
132I93.6Very high93.9Very high2 Ų256.5 Ų56.51%0.0129%0.29CS..Hα-helixtrans-57.3-43.9-175.2-70.4152.4000111.9P128 E130 E134 V135 Y136 L151 M154 E156 L157P128-I132 HydrophobicContact CG-CG1 4.44Å; E130-I132 PolarHBondContact O-N 3.07Å; I132-E134 PolarHBondContact O-N 3.15Å; I132-V135 PolarHBondContact O-N 3.43Å; I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.23Å; I132-L151 HydrophobicContact CG2-CD2 4.35Å; I132-M154 HydrophobicContact CD1-CE 3.33Å; I132-M154 HydrophobicContact CD1-SD 4.3Å; I132-M154 HydrophobicContact CG1-CE 3.82Å; I132-M154 HydrophobicContact CG1-SD 4.25Å; I132-M154 HydrophobicContact CG2-SD 4.13Å; I132-E156 VanDerWaalsContact CD1-CD 3.41Å; I132-E156 HydrophobicContact CD1-CG 4.4Å; I132-E156 WeakPolarHBondContact CD1-OE1 3.37Å; I132-E156 WeakPolarHBondContact CD1-OE2 3.2Å; I132-L157 HydrophobicContact CG2-CD1 3.52Å; I132-L157 HydrophobicContact CG2-CG 3.78Å
133P92.3Very high94Very high58 Ų5859.3 Ų59.338%0.37731%0.305SS..Hα-helixtrans-61.5-41.1175.6-23.735.1000114Y136 T137 L157P133-Y136 PolarHBondContact O-N 3.01Å; P133-T137 PolarHBondContact O-N 3.22Å; P133-T137 PolarHBondContact O-OG1 3.23Å; P133-L157 HydrophobicContact CB-CD2 4.46Å; P133-L157 HydrophobicContact CG-CD2 4.47Å
134E94.3Very high94Very high83 Ų8353.5 Ų53.539%0.38828%0.283SS..Hα-helixtrans-68.6-42.8179-63.777-171.300110.8H114 N131 I132 Y136 T137 E138H114-E134 VanDerWaalsContact CE1-CB 3.48Å; H114-E134 WeakPolarHBondContact CE1-CB 3.16Å; H114-E134 WeakPolarHBondContact NE2-CB 3.03Å; N131-E134 WeakPolarHBondContact CA-OE2 3.47Å; N131-E134 HydrophobicContact CB-CB 4.27Å; N131-E134 WeakPolarHBondContact CB-OE2 3.29Å; N131-E134 PolarHBondContact O-N 3.24Å; I132-E134 PolarHBondContact O-N 3.15Å; E134-Y136 VanDerWaalsContact C-N 3.32Å; E134-Y136 PolarHBondContact O-N 3.14Å; E134-T137 WeakPolarHBondContact O-CB 3.48Å; E134-T137 PolarHBondContact O-N 2.82Å; E134-E138 PolarHBondContact O-N 3.26Å; E134-E138 VanDerWaalsContact O-N 3.13Å
135V95.8Very high94.1Very high2 Ų256.4 Ų56.41%0.01229%0.29CS..Hα-helixtrans-66.1-36175.6-179.90000111.2H114 A117 V118 P128 N131 I132 T137 E138 A139 L147 L151H114-V135 HydrophobicContact CB-CG2 4.18Å; A117-V135 HydrophobicContact CB-CG1 4.09Å; A117-V135 HydrophobicContact CB-CG2 3.67Å; V118-V135 HydrophobicContact CG2-CG1 4.29Å; P128-V135 HydrophobicContact CB-CG1 4.47Å; P128-V135 HydrophobicContact CB-CG2 4.16Å; P128-V135 HydrophobicContact CG-CB 4.08Å; P128-V135 HydrophobicContact CG-CG1 3.87Å; P128-V135 HydrophobicContact CG-CG2 4.26Å; N131-V135 VanDerWaalsContact O-CG2 3.28Å; N131-V135 WeakPolarHBondContact O-CG2 3.49Å; N131-V135 PolarHBondContact O-N 2.89Å; I132-V135 PolarHBondContact O-N 3.43Å; V135-T137 VanDerWaalsContact C-N 3.34Å; V135-E138 PolarHBondContact O-N 3.46Å; V135-A139 WeakPolarHBondContact O-CB 3.35Å; V135-A139 PolarHBondContact O-N 3.13Å; V135-L147 HydrophobicContact CG1-CD2 4.49Å; V135-L151 HydrophobicContact CG1-CD1 4.17Å
136Y95.4Very high94.2Very high42 Ų4256 Ų5617%0.16529%0.291CS..Hα-helixtrans-62.2-42.2173.4178.2-103.8000111.9I132 P133 E134 E138 A139 V140 M148 L151 E152 L157 L161I132-Y136 WeakPolarHBondContact O-CB 3.44Å; I132-Y136 PolarHBondContact O-N 3.23Å; P133-Y136 PolarHBondContact O-N 3.01Å; E134-Y136 VanDerWaalsContact C-N 3.32Å; E134-Y136 PolarHBondContact O-N 3.14Å; Y136-E138 VanDerWaalsContact C-N 3.27Å; Y136-E138 PolarHBondContact O-N 2.93Å; Y136-A139 WeakPolarHBondContact O-CB 3.44Å; Y136-A139 PolarHBondContact O-N 2.87Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.35Å; Y136-M148 HydrophobicContact CE2-CB 4.13Å; Y136-M148 HydrophobicContact CE2-CG 4.42Å; Y136-L151 HydrophobicContact CD2-CB 3.93Å; Y136-L151 HydrophobicContact CD2-CD1 4.23Å; Y136-E152 HydrophobicContact CD2-CG 4.49Å; Y136-E152 HydrophobicContact CE2-CG 3.59Å; Y136-E152 WeakPolarHBondContact CE2-OE1 3.46Å; Y136-E152 PolarHBondContact OH-OE1 2.82Å; Y136-L157 HydrophobicContact CD2-CD1 4.03Å; Y136-L157 HydrophobicContact CG-CD1 3.83Å; Y136-L161 HydrophobicContact CE1-CD1 3.97Å
137T94.9Very high94.2Very high80 Ų8049.5 Ų49.549%0.49126%0.263SS..Hα-helixtrans-57.6-42.1175-59.90000111.5P133 E134 V135 H141P133-T137 PolarHBondContact O-N 3.22Å; P133-T137 PolarHBondContact O-OG1 3.23Å; E134-T137 WeakPolarHBondContact O-CB 3.48Å; E134-T137 PolarHBondContact O-N 2.82Å; V135-T137 VanDerWaalsContact C-N 3.34Å; T137-H141 PolarHBondContact O-N 3.35Å
138E96Very high94.3Very high14 Ų1448.2 Ų48.27%0.06526%0.256CS..Hα-helixtrans-70.6-39.2175.2-68.2-51.7114.800112.5R110 H114 V118 E134 V135 Y136 V140 H141 Y142R110-E138 IonicContact CZ-OE1 3.92Å; R110-E138 IonicContact NE-OE1 3.81Å; R110-E138 IonicContact NE-OE2 2.79Å; R110-E138 IonicContact NH2-OE1 3.81Å; R110-E138 PolarHBondContact NH2-OE1 3.21Å; R110-E138 IonicContact NH2-OE2 3.69Å; H114-E138 HydrophobicContact CB-CG 4.09Å; V118-E138 HydrophobicContact CG2-CB 3.91Å; E134-E138 PolarHBondContact O-N 3.26Å; E134-E138 VanDerWaalsContact O-N 3.13Å; V135-E138 PolarHBondContact O-N 3.46Å; Y136-E138 VanDerWaalsContact C-N 3.27Å; Y136-E138 PolarHBondContact O-N 2.93Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.04Å; E138-H141 WeakPolarHBondContact O-CB 3.43Å; E138-H141 PolarHBondContact O-N 3.13Å; E138-H141 VanDerWaalsContact O-N 3.11Å; E138-Y142 HydrophobicContact CB-CD2 4.13Å; E138-Y142 HydrophobicContact CB-CE2 3.94Å; E138-Y142 HydrophobicContact CG-CE2 4.43Å; E138-Y142 WeakPolarHBondContact O-CB 3.46Å; E138-Y142 WeakPolarHBondContact O-CD2 3.5Å; E138-Y142 PolarHBondContact O-N 3.11Å; E138-Y142 WeakPolarHBondContact OE2-CE2 3.19Å; E138-Y142 PolarHBondContact OE2-OH 3.01Å
139A95.3Very high94.3Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-58.5-41.1175.400000111.9V135 Y136 N143 I144 L147 M148 L151V135-A139 WeakPolarHBondContact O-CB 3.35Å; V135-A139 PolarHBondContact O-N 3.13Å; Y136-A139 WeakPolarHBondContact O-CB 3.44Å; Y136-A139 PolarHBondContact O-N 2.87Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; A139-N143 PolarHBondContact O-N 2.79Å; A139-I144 PolarHBondContact O-N 2.84Å; A139-L147 HydrophobicContact CB-CB 4.2Å; A139-L147 HydrophobicContact CB-CD2 3.62Å; A139-L147 HydrophobicContact CB-CG 3.7Å; A139-M148 HydrophobicContact CB-CG 3.85Å; A139-L151 HydrophobicContact CB-CD1 4.22Å
140V94.8Very high94.5Very high68 Ų6852 Ų5241%0.41226%0.258SS..Hα-helixtrans-63.9-47.3172.6173.90000110.8Y136 E138 Y142 N143 M148Y136-V140 HydrophobicContact CD1-CG2 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.17Å; Y136-V140 WeakPolarHBondContact O-CG2 3.45Å; Y136-V140 PolarHBondContact O-N 3.35Å; E138-V140 VanDerWaalsContact C-N 3.28Å; E138-V140 PolarHBondContact O-N 3.04Å; V140-Y142 PolarHBondContact O-N 2.95Å; V140-N143 PolarHBondContact O-N 3.02Å; V140-N143 VanDerWaalsContact O-N 3.1Å; V140-M148 HydrophobicContact CG2-CE 3.85Å; V140-M148 HydrophobicContact CG2-CG 4.19Å; V140-M148 HydrophobicContact CG2-SD 4.16Å
141H94Very high94.6Very high49 Ų4945.4 Ų45.423%0.22723%0.227CC..Hα-helixtrans-59.5-44.7180-178.583.4000112.9K87 R110 T137 E138 N143K87-H141 VanDerWaalsContact CD-O 3.3Å; K87-H141 WeakPolarHBondContact CD-O 3.38Å; K87-H141 PolarHBondContact NZ-CE1 2.89Å; K87-H141 PolarHBondContact NZ-NE2 3.1Å; R110-H141 WeakPolarHBondContact CD-CE1 3.48Å; R110-H141 WeakPolarHBondContact CD-NE2 3.27Å; R110-H141 VanDerWaalsContact CZ-ND1 3.34Å; R110-H141 PolarHBondContact NE-CE1 3.42Å; R110-H141 PolarHBondContact NE-ND1 3.21Å; T137-H141 PolarHBondContact O-N 3.35Å; E138-H141 WeakPolarHBondContact O-CB 3.43Å; E138-H141 PolarHBondContact O-N 3.13Å; E138-H141 VanDerWaalsContact O-N 3.11Å; H141-N143 PolarHBondContact O-N 3.01Å
142Y93.8Very high94.5Very high2 Ų244.5 Ų44.51%0.00822%0.22CC..THydrogen-bonded Turntrans-81.3-3179.2-66.2-54.4000113.1K87 V88 I108 F115 V118 E138 V140 I144K87-Y142 WeakPolarHBondContact CB-O 3.36Å; K87-Y142 PolarHBondContact N-O 3.03Å; V88-Y142 HydrophobicContact CG2-CD1 3.29Å; V88-Y142 HydrophobicContact CG2-CE1 4.13Å; V88-Y142 HydrophobicContact CG2-CG 3.57Å; I108-Y142 HydrophobicContact CG2-CE1 4.41Å; F115-Y142 HydrophobicContact CD2-CD2 4.42Å; F115-Y142 HydrophobicContact CD2-CE1 4.41Å; F115-Y142 AromaticContact CD2-CE2 3.6Å; F115-Y142 HydrophobicContact CD2-CE2 3.6Å; F115-Y142 AromaticContact CD2-CZ 3.61Å; F115-Y142 HydrophobicContact CE2-CE1 4.2Å; F115-Y142 HydrophobicContact CE2-CE2 4.01Å; F115-Y142 AromaticContact CE2-CZ 3.84Å; V118-Y142 HydrophobicContact CG1-CD2 4.09Å; V118-Y142 HydrophobicContact CG2-CD2 4.34Å; E138-Y142 HydrophobicContact CB-CD2 4.13Å; E138-Y142 HydrophobicContact CB-CE2 3.94Å; E138-Y142 HydrophobicContact CG-CE2 4.43Å; E138-Y142 WeakPolarHBondContact O-CB 3.46Å; E138-Y142 WeakPolarHBondContact O-CD2 3.5Å; E138-Y142 PolarHBondContact O-N 3.11Å; E138-Y142 WeakPolarHBondContact OE2-CE2 3.19Å; E138-Y142 PolarHBondContact OE2-OH 3.01Å; V140-Y142 PolarHBondContact O-N 2.95Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.25Å
143N94.7Very high94.3Very high63 Ų6350.5 Ų50.534%0.33725%0.248SC..THydrogen-bonded Turntrans53.744.4-178.4-168.641.1000112.8D85 S86 K87 A139 V140 H141 K145D85-N143 PolarHBondContact O-ND2 2.71Å; S86-N143 WeakPolarHBondContact CA-O 3.17Å; K87-N143 HydrophobicContact CB-CB 4.46Å; A139-N143 PolarHBondContact O-N 2.79Å; V140-N143 PolarHBondContact O-N 3.02Å; V140-N143 VanDerWaalsContact O-N 3.1Å; H141-N143 PolarHBondContact O-N 3.01Å; N143-K145 PolarHBondContact O-N 3.14Å
144I95.6Very high94.3Very high0 Ų049.5 Ų49.50%024%0.239CC..  trans-9280.5178.4-56.1167.3000108V118 F121 L122 A139 Y142 P146 L147 M148V118-I144 HydrophobicContact CG1-CD1 3.3Å; F121-I144 HydrophobicContact CD1-CG2 4.14Å; F121-I144 HydrophobicContact CE1-CG2 3.85Å; L122-I144 HydrophobicContact CD1-CD1 4.48Å; L122-I144 HydrophobicContact CD2-CD1 4.2Å; L122-I144 HydrophobicContact CD2-CG2 4.46Å; L122-I144 HydrophobicContact CG-CD1 4.47Å; A139-I144 PolarHBondContact O-N 2.84Å; Y142-I144 VanDerWaalsContact C-N 3.31Å; Y142-I144 PolarHBondContact O-N 3.25Å; I144-P146 VanDerWaalsContact C-CD 3.46Å; I144-P146 VanDerWaalsContact C-N 3.35Å; I144-L147 HydrophobicContact CB-CB 4.11Å; I144-L147 HydrophobicContact CG2-CB 3.64Å; I144-L147 WeakPolarHBondContact O-CB 3.32Å; I144-L147 PolarHBondContact O-N 2.79Å; I144-M148 PolarHBondContact O-N 2.79Å
145K94.7Very high93.9Very high107 Ų10751 Ų5147%0.46526%0.256SS..Hα-helixtrans-52.8-41.6-174-56.6178.5-171.6140.90114.3D85 N143 L147 M148 K149D85-K145 WeakPolarHBondContact OD2-CD 3.45Å; D85-K145 WeakPolarHBondContact OD2-CE 3.32Å; D85-K145 IonicContact OD2-NZ 3.96Å; D85-K145 PolarHBondContact OD2-NZ 2.83Å; N143-K145 PolarHBondContact O-N 3.14Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 3.41Å; K145-M148 PolarHBondContact O-N 3.04Å; K145-K149 PolarHBondContact O-N 3.05Å
146P95.1Very high93.4Very high42 Ų4256.5 Ų56.527%0.27328%0.282SS..Hα-helixtrans-63.9-35.5178.4-25.138.1000113.1F121 I144 R150F121-P146 HydrophobicContact CE1-CB 4.42Å; F121-P146 HydrophobicContact CZ-CB 4.07Å; I144-P146 VanDerWaalsContact C-CD 3.46Å; I144-P146 VanDerWaalsContact C-N 3.35Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3.48Å
147L95.3Very high93.1Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-69.4-48.9175.5179.256.2000110.3V118 F121 L127 V135 A139 I144 K145 K149 R150 L151V118-L147 HydrophobicContact CG2-CD2 4.35Å; F121-L147 HydrophobicContact CB-CD1 4.22Å; F121-L147 HydrophobicContact CB-CD2 4.28Å; F121-L147 HydrophobicContact CD1-CB 3.81Å; F121-L147 HydrophobicContact CD1-CD1 4.29Å; F121-L147 HydrophobicContact CD1-CD2 4.19Å; F121-L147 HydrophobicContact CD1-CG 4.31Å; F121-L147 HydrophobicContact CD2-CB 4.37Å; F121-L147 HydrophobicContact CD2-CD1 3.58Å; F121-L147 HydrophobicContact CD2-CG 4.44Å; F121-L147 HydrophobicContact CE1-CB 3.65Å; F121-L147 HydrophobicContact CE2-CB 4.19Å; F121-L147 HydrophobicContact CE2-CD1 3.93Å; F121-L147 HydrophobicContact CG-CB 4.18Å; F121-L147 HydrophobicContact CG-CD1 3.75Å; F121-L147 HydrophobicContact CG-CD2 4.17Å; F121-L147 HydrophobicContact CG-CG 4.25Å; F121-L147 HydrophobicContact CZ-CB 3.84Å; F121-L147 HydrophobicContact CZ-CD1 4.46Å; L127-L147 HydrophobicContact CD2-CD1 3.87Å; V135-L147 HydrophobicContact CG1-CD2 4.49Å; A139-L147 HydrophobicContact CB-CB 4.2Å; A139-L147 HydrophobicContact CB-CD2 3.62Å; A139-L147 HydrophobicContact CB-CG 3.7Å; I144-L147 HydrophobicContact CB-CB 4.11Å; I144-L147 HydrophobicContact CG2-CB 3.64Å; I144-L147 WeakPolarHBondContact O-CB 3.32Å; I144-L147 PolarHBondContact O-N 2.79Å; K145-L147 VanDerWaalsContact C-N 3.3Å; K145-L147 PolarHBondContact O-N 3.41Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.83Å; L147-R150 PolarHBondContact O-N 2.88Å; L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.19Å; L147-L151 HydrophobicContact CD1-CG 3.77Å; L147-L151 HydrophobicContact CG-CD1 3.79Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.01Å
148M94.4Very high92.8Very high38 Ų3856.4 Ų56.419%0.18728%0.276CS..Hα-helixtrans-52-51.3177.4-67.717154.600111.7Y136 A139 V140 I144 K145 R150 L151 E152Y136-M148 HydrophobicContact CE2-CB 4.13Å; Y136-M148 HydrophobicContact CE2-CG 4.42Å; A139-M148 HydrophobicContact CB-CG 3.85Å; V140-M148 HydrophobicContact CG2-CE 3.85Å; V140-M148 HydrophobicContact CG2-CG 4.19Å; V140-M148 HydrophobicContact CG2-SD 4.16Å; I144-M148 PolarHBondContact O-N 2.79Å; K145-M148 PolarHBondContact O-N 3.04Å; M148-R150 PolarHBondContact O-N 3.02Å; M148-L151 PolarHBondContact O-N 3.37Å; M148-E152 WeakPolarHBondContact O-CG 3.45Å; M148-E152 PolarHBondContact O-N 3.42Å
149K94.1Very high92.3Very high129 Ų12957.6 Ų57.656%0.56129%0.292SS*.Hα-helixtrans-60.4-45.2-178.6-175.4179.1177.2-176.30112.3K145 L147 L151 E152 E153K145-K149 PolarHBondContact O-N 3.05Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.83Å; K149-L151 VanDerWaalsContact C-N 3.34Å; K149-E152 PolarHBondContact O-N 3.26Å; K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 WeakPolarHBondContact O-CG 3.45Å; K149-E153 PolarHBondContact O-N 3.27Å
150R94.3Very high91.9Very high89 Ų8960.3 Ų60.334%0.33631%0.305SS..Hα-helixtrans-68.2-34.5179.8-73.3-173.7-169.315117.7112.4F121 E125 L127 P146 L147 M148 E153 M154F121-R150 VanDerWaalsContact CE2-NH1 3.32Å; E125-R150 PolarHBondContact O-NH1 2.84Å; E125-R150 IonicContact OE2-CZ 2.89Å; E125-R150 VanDerWaalsContact OE2-CZ 3.29Å; E125-R150 IonicContact OE2-NH1 3.75Å; E125-R150 PolarHBondContact OE2-NH1 3.33Å; E125-R150 IonicContact OE2-NH2 3.66Å; E125-R150 PolarHBondContact OE2-NH2 2.68Å; L127-R150 HydrophobicContact CD1-CB 3.94Å; L127-R150 HydrophobicContact CD2-CB 3.63Å; L127-R150 HydrophobicContact CD2-CG 4.45Å; L127-R150 HydrophobicContact CG-CB 4.39Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3.48Å; L147-R150 PolarHBondContact O-N 2.88Å; M148-R150 PolarHBondContact O-N 3.02Å; R150-E153 PolarHBondContact O-N 2.7Å; R150-M154 WeakPolarHBondContact O-CG 3.4Å
151L94.1Very high91.3Very high0 Ų060.3 Ų60.30%030%0.302CS..Hα-helixtrans-69.4-40.8175.3-68.7179.5000111.3L127 P128 I132 V135 Y136 A139 L147 M148 K149 E153 M154 L157L127-L151 HydrophobicContact CD2-CD2 4.38Å; P128-L151 HydrophobicContact CG-CD2 3.67Å; I132-L151 HydrophobicContact CG2-CD2 4.35Å; V135-L151 HydrophobicContact CG1-CD1 4.17Å; Y136-L151 HydrophobicContact CD2-CB 3.93Å; Y136-L151 HydrophobicContact CD2-CD1 4.23Å; A139-L151 HydrophobicContact CB-CD1 4.22Å; L147-L151 HydrophobicContact CD1-CD1 3.75Å; L147-L151 HydrophobicContact CD1-CD2 4.19Å; L147-L151 HydrophobicContact CD1-CG 3.77Å; L147-L151 HydrophobicContact CG-CD1 3.79Å; L147-L151 HydrophobicContact CG-CG 4.22Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.26Å; L147-L151 PolarHBondContact O-N 3.01Å; M148-L151 PolarHBondContact O-N 3.37Å; K149-L151 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 3.22Å; L151-M154 HydrophobicContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact O-CB 3.27Å; L151-M154 WeakPolarHBondContact O-CB 3.38Å; L151-M154 PolarHBondContact O-N 3.19Å; L151-L157 HydrophobicContact CB-CD1 3.79Å; L151-L157 WeakPolarHBondContact O-CB 3.31Å; L151-L157 WeakPolarHBondContact O-CD1 3.47Å
152E91.4Very high90.7Very high67 Ų6761 Ų6131%0.31331%0.309SS..Hα-helixtrans-60.3-27.9175.2-76.1165.5-169.200113.3Y136 M148 K149 M154 F158 L161Y136-E152 HydrophobicContact CD2-CG 4.49Å; Y136-E152 HydrophobicContact CE2-CG 3.59Å; Y136-E152 WeakPolarHBondContact CE2-OE1 3.46Å; Y136-E152 PolarHBondContact OH-OE1 2.82Å; M148-E152 WeakPolarHBondContact O-CG 3.45Å; M148-E152 PolarHBondContact O-N 3.42Å; K149-E152 PolarHBondContact O-N 3.26Å; E152-M154 VanDerWaalsContact C-N 3.32Å; E152-F158 WeakPolarHBondContact O-CA 3.49Å; E152-F158 WeakPolarHBondContact O-CB 3.38Å; E152-L161 HydrophobicContact CG-CD1 3.94Å
153E90.9Very high90.4Very high128 Ų12862.5 Ų62.560%0.59833%0.326SS*.THydrogen-bonded Turntrans-79.9-11.1175.3-69.2169.2-174.600112.8K149 R150 L151K149-E153 WeakPolarHBondContact CE-OE1 3.2Å; K149-E153 WeakPolarHBondContact O-CG 3.45Å; K149-E153 PolarHBondContact O-N 3.27Å; R150-E153 PolarHBondContact O-N 2.7Å; L151-E153 PolarHBondContact O-N 3.22Å
154M90.9Very high90.3Very high36 Ų3661 Ų6118%0.17732%0.316CS..SBendtrans-74.7143.3178.1-63.9-178.17100111.3L127 I132 R150 L151 E152 E156 L157 F158L127-M154 HydrophobicContact CD1-SD 4.43Å; I132-M154 HydrophobicContact CD1-CE 3.33Å; I132-M154 HydrophobicContact CD1-SD 4.3Å; I132-M154 HydrophobicContact CG1-CE 3.82Å; I132-M154 HydrophobicContact CG1-SD 4.25Å; I132-M154 HydrophobicContact CG2-SD 4.13Å; R150-M154 WeakPolarHBondContact O-CG 3.4Å; L151-M154 HydrophobicContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact CD2-SD 3.55Å; L151-M154 VanDerWaalsContact O-CB 3.27Å; L151-M154 WeakPolarHBondContact O-CB 3.38Å; L151-M154 PolarHBondContact O-N 3.19Å; E152-M154 VanDerWaalsContact C-N 3.32Å; M154-E156 VanDerWaalsContact C-N 3.27Å; M154-E156 PolarHBondContact O-N 2.93Å; M154-E156 VanDerWaalsContact O-N 3.13Å; M154-L157 PolarHBondContact O-N 3.37Å; M154-L157 VanDerWaalsContact O-N 3.08Å; M154-F158 VanDerWaalsContact O-CB 3.31Å; M154-F158 WeakPolarHBondContact O-CB 3.46Å; M154-F158 PolarHBondContact O-N 3.32Å
155P87.3Confident90.1Very high115 Ų11564.4 Ų64.475%0.74733%0.331SS*.Hα-helixtrans-52.3-40.5-175.4-2935.1000114.8L157 G159P155-L157 PolarHBondContact O-N 2.96Å; P155-G159 PolarHBondContact O-N 3.47Å
156E85.1Confident89.9Confident118 Ų11864.1 Ų64.155%0.55133%0.332SS*.Hα-helixtrans-61.2-40.8-179.1-68.3180-151.100112.8I132 M154I132-E156 VanDerWaalsContact CD1-CD 3.41Å; I132-E156 HydrophobicContact CD1-CG 4.4Å; I132-E156 WeakPolarHBondContact CD1-OE1 3.37Å; I132-E156 WeakPolarHBondContact CD1-OE2 3.2Å; M154-E156 VanDerWaalsContact C-N 3.27Å; M154-E156 PolarHBondContact O-N 2.93Å; M154-E156 VanDerWaalsContact O-N 3.13Å
157L87.6Confident89.8Confident11 Ų1162.8 Ų62.86%0.05832%0.321CS..Hα-helixtrans-91.2-35.1-178.9-71174.3000112.4I132 P133 Y136 L151 M154 P155 G159 E160 L161I132-L157 HydrophobicContact CG2-CD1 3.52Å; I132-L157 HydrophobicContact CG2-CG 3.78Å; P133-L157 HydrophobicContact CB-CD2 4.46Å; P133-L157 HydrophobicContact CG-CD2 4.47Å; Y136-L157 HydrophobicContact CD2-CD1 4.03Å; Y136-L157 HydrophobicContact CG-CD1 3.83Å; L151-L157 HydrophobicContact CB-CD1 3.79Å; L151-L157 WeakPolarHBondContact O-CB 3.31Å; L151-L157 WeakPolarHBondContact O-CD1 3.47Å; M154-L157 PolarHBondContact O-N 3.37Å; M154-L157 VanDerWaalsContact O-N 3.08Å; P155-L157 PolarHBondContact O-N 2.96Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.31Å; L157-E160 PolarHBondContact O-N 2.76Å; L157-L161 HydrophobicContact CB-CD1 4.1Å; L157-L161 HydrophobicContact CD2-CD1 4.38Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.84Å
158F89.1Confident89.7Confident109 Ų10963.3 Ų63.348%0.47832%0.324SS..Hα-helixtrans-59.5-46179-178.2-94.8000111.5E152 M154 E160 V162 G163E152-F158 WeakPolarHBondContact O-CA 3.49Å; E152-F158 WeakPolarHBondContact O-CB 3.38Å; M154-F158 VanDerWaalsContact O-CB 3.31Å; M154-F158 WeakPolarHBondContact O-CB 3.46Å; M154-F158 PolarHBondContact O-N 3.32Å; F158-E160 VanDerWaalsContact C-N 3.32Å; F158-E160 PolarHBondContact O-N 3.44Å; F158-V162 HydrophobicContact CD2-CB 4.2Å; F158-V162 HydrophobicContact CD2-CG2 3.99Å; F158-V162 HydrophobicContact CE2-CB 4.04Å; F158-V162 HydrophobicContact CE2-CG1 4.12Å; F158-V162 HydrophobicContact CE2-CG2 4.06Å; F158-V162 HydrophobicContact CZ-CB 4.37Å; F158-V162 HydrophobicContact CZ-CG1 4.25Å; F158-V162 WeakPolarHBondContact O-CB 3.38Å; F158-V162 PolarHBondContact O-N 3.41Å; F158-G163 PolarHBondContact O-N 3.02Å; F158-G163 VanDerWaalsContact O-N 3.15Å
159G86.4Confident89.6Confident39 Ų3966 Ų6640%0.40235%0.347SS..Iπ-helixtrans-59.3-43.1178.300000112.3P155 L157 G163 R164P155-G159 PolarHBondContact O-N 3.47Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.31Å; G159-G163 CarbonylContact O-C 3.55Å; G159-G163 WeakPolarHBondContact O-CA 3.43Å; G159-G163 PolarHBondContact O-N 2.97Å; G159-R164 PolarHBondContact O-N 2.83Å
160E86.6Confident89.5Confident57 Ų5765.8 Ų65.827%0.26634%0.342SS..Iπ-helixtrans-74.6-59.9179.8-179.854.3-142.700112.1L157 F158 R164 Q165L157-E160 PolarHBondContact O-N 2.76Å; F158-E160 VanDerWaalsContact C-N 3.32Å; F158-E160 PolarHBondContact O-N 3.44Å; E160-R164 IonicContact OE1-CZ 2.83Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 2.87Å; E160-R164 IonicContact OE1-NH2 3.74Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å; E160-R164 WeakPolarHBondContact OE2-CD 3.33Å; E160-R164 IonicContact OE2-CZ 3.82Å; E160-R164 IonicContact OE2-NE 2.86Å; E160-R164 PolarHBondContact OE2-NE 3.28Å; E160-R164 IonicContact OE2-NH2 3.84Å; E160-Q165 WeakPolarHBondContact O-CG 3.38Å; E160-Q165 PolarHBondContact O-N 3.44Å; E160-Q165 PolarHBondContact OE1-NE2 3.08Å
161L81.1Confident89.4Confident67 Ų6761.9 Ų61.935%0.35133%0.328SS..Iπ-helixtrans-70.9-33.8-170.2-65.1178000113.7Y136 E152 L157 Q165Y136-L161 HydrophobicContact CE1-CD1 3.97Å; E152-L161 HydrophobicContact CG-CD1 3.94Å; L157-L161 HydrophobicContact CB-CD1 4.1Å; L157-L161 HydrophobicContact CD2-CD1 4.38Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.23Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 2.84Å; L161-Q165 WeakPolarHBondContact O-CB 3.35Å
162V83.4Confident89.3Confident63 Ų6364.3 Ų64.338%0.38234%0.344SS..Iπ-helixtrans-105.4-59.3-177.1-174.40000109.7F158 Q166F158-V162 HydrophobicContact CD2-CB 4.2Å; F158-V162 HydrophobicContact CD2-CG2 3.99Å; F158-V162 HydrophobicContact CE2-CB 4.04Å; F158-V162 HydrophobicContact CE2-CG1 4.12Å; F158-V162 HydrophobicContact CE2-CG2 4.06Å; F158-V162 HydrophobicContact CZ-CB 4.37Å; F158-V162 HydrophobicContact CZ-CG1 4.25Å; F158-V162 WeakPolarHBondContact O-CB 3.38Å; F158-V162 PolarHBondContact O-N 3.41Å; V162-Q166 WeakPolarHBondContact O-CB 3.43Å; V162-Q166 PolarHBondContact O-N 3.06Å
163G87.3Confident89.4Confident35 Ų3567.3 Ų67.336%0.36136%0.358SS..Iπ-helixtrans-61.5-63.8-173.800000112.9F158 G159 F167F158-G163 PolarHBondContact O-N 3.02Å; F158-G163 VanDerWaalsContact O-N 3.15Å; G159-G163 CarbonylContact O-C 3.55Å; G159-G163 WeakPolarHBondContact O-CA 3.43Å; G159-G163 PolarHBondContact O-N 2.97Å; G163-F167 PolarHBondContact O-N 3.45Å; G163-F167 VanDerWaalsContact O-N 3.12Å
164R92.2Very high89.7Confident32 Ų3261.9 Ų61.912%0.12133%0.332CS..Iπ-helixtrans-65.1-49-175.7-162.2-178.977.4100.5-4.2111.4G159 E160 Q166 F167 L168 C243 D247G159-R164 PolarHBondContact O-N 2.83Å; E160-R164 IonicContact OE1-CZ 2.83Å; E160-R164 IonicContact OE1-NE 2.76Å; E160-R164 PolarHBondContact OE1-NE 2.87Å; E160-R164 IonicContact OE1-NH2 3.74Å; E160-R164 PolarHBondContact OE1-NH2 3.45Å; E160-R164 WeakPolarHBondContact OE2-CD 3.33Å; E160-R164 IonicContact OE2-CZ 3.82Å; E160-R164 IonicContact OE2-NE 2.86Å; E160-R164 PolarHBondContact OE2-NE 3.28Å; E160-R164 IonicContact OE2-NH2 3.84Å; R164-Q166 PolarHBondContact O-N 3.1Å; R164-F167 WeakPolarHBondContact O-CB 3.48Å; R164-F167 PolarHBondContact O-N 3.21Å; R164-F167 VanDerWaalsContact O-N 3.16Å; R164-L168 HydrophobicContact CG-CD1 4.16Å; R164-L168 HydrophobicContact CG-CG 4.37Å; R164-L168 VanDerWaalsContact NH1-CD1 3.34Å; R164-L168 WeakPolarHBondContact O-CG 3.48Å; R164-L168 PolarHBondContact O-N 3.03Å; R164-C243 VanDerWaalsContact CG-SG 3.53Å; R164-D247 IonicContact CZ-OD1 3.19Å; R164-D247 VanDerWaalsContact CZ-OD1 3.32Å; R164-D247 IonicContact CZ-OD2 3.32Å; R164-D247 IonicContact NH1-OD1 2.87Å; R164-D247 PolarHBondContact NH1-OD1 2.88Å; R164-D247 IonicContact NH1-OD2 2.94Å; R164-D247 PolarHBondContact NH1-OD2 3.4Å; R164-D247 IonicContact NH2-OD1 2.71Å; R164-D247 PolarHBondContact NH2-OD1 3.49Å; R164-D247 IonicContact NH2-OD2 2.85Å
165Q91.1Very high89.9Confident71 Ų7166.9 Ų66.933%0.33235%0.353SS..Hα-helixtrans-62.6-39.1-179.8-65-50.9-47.500112.9E160 L161 F167 L168 S169E160-Q165 WeakPolarHBondContact O-CG 3.38Å; E160-Q165 PolarHBondContact O-N 3.44Å; E160-Q165 PolarHBondContact OE1-NE2 3.08Å; L161-Q165 WeakPolarHBondContact O-CB 3.35Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.95Å; Q165-L168 PolarHBondContact O-N 3.24Å; Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 3.48Å
166Q90.3Very high90.3Very high101 Ų10166.5 Ų66.547%0.47234%0.341SS..Hα-helixtrans-64.1-39.7175.6-173.7-17922.300111.4V162 R164 S169V162-Q166 WeakPolarHBondContact O-CB 3.43Å; V162-Q166 PolarHBondContact O-N 3.06Å; R164-Q166 PolarHBondContact O-N 3.1Å; Q166-S169 PolarHBondContact O-OG 3.15Å
167F92.6Very high90.8Very high13 Ų1362 Ų626%0.05732%0.321CS..Hα-helixtrans-61.5-53.2173.3167.4-131000111.6G163 R164 Q165 S169 R170 V171 W231 A233 P235 L240G163-F167 PolarHBondContact O-N 3.45Å; G163-F167 VanDerWaalsContact O-N 3.12Å; R164-F167 WeakPolarHBondContact O-CB 3.48Å; R164-F167 PolarHBondContact O-N 3.21Å; R164-F167 VanDerWaalsContact O-N 3.16Å; Q165-F167 VanDerWaalsContact C-N 3.32Å; Q165-F167 PolarHBondContact O-N 2.95Å; F167-S169 PolarHBondContact O-N 3.07Å; F167-R170 WeakPolarHBondContact O-CB 3.27Å; F167-R170 PolarHBondContact O-N 3.07Å; F167-V171 HydrophobicContact CD2-CG2 4.25Å; F167-V171 HydrophobicContact CE2-CG2 3.68Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; F167-W231 AromaticContact CE2-CD1 3.72Å; F167-W231 HydrophobicContact CE2-CG 4.38Å; F167-W231 AromaticContact CE2-NE1 3.53Å; F167-A233 HydrophobicContact CD2-CB 4.16Å; F167-A233 HydrophobicContact CE2-CB 4.44Å; F167-P235 HydrophobicContact CB-CG 4.09Å; F167-P235 HydrophobicContact CD1-CB 4.02Å; F167-P235 HydrophobicContact CD1-CG 4.18Å; F167-P235 HydrophobicContact CD2-CB 3.78Å; F167-P235 HydrophobicContact CD2-CG 3.6Å; F167-P235 HydrophobicContact CE1-CB 3.93Å; F167-P235 HydrophobicContact CE2-CB 3.72Å; F167-P235 HydrophobicContact CE2-CG 4.07Å; F167-P235 HydrophobicContact CG-CB 3.94Å; F167-P235 HydrophobicContact CG-CG 3.68Å; F167-P235 HydrophobicContact CZ-CB 3.79Å; F167-L240 HydrophobicContact CE1-CB 4.21Å; F167-L240 HydrophobicContact CE1-CD1 4.2Å; F167-L240 HydrophobicContact CZ-CB 4.02Å; F167-L240 HydrophobicContact CZ-CD1 4.13Å
168L93.5Very high91.3Very high11 Ų1161.6 Ų61.66%0.05832%0.319CS..Hα-helixtrans-61.7-31.9-177.4-66.8-177.6000113.1R164 Q165 R170 V171 Y174 L240 C243R164-L168 HydrophobicContact CG-CD1 4.16Å; R164-L168 HydrophobicContact CG-CG 4.37Å; R164-L168 VanDerWaalsContact NH1-CD1 3.34Å; R164-L168 WeakPolarHBondContact O-CG 3.48Å; R164-L168 PolarHBondContact O-N 3.03Å; Q165-L168 PolarHBondContact O-N 3.24Å; L168-R170 PolarHBondContact O-N 3.24Å; L168-R170 VanDerWaalsContact O-N 3.12Å; L168-V171 PolarHBondContact O-N 2.93Å; L168-Y174 HydrophobicContact CB-CD1 4.42Å; L168-Y174 HydrophobicContact CD1-CD1 4.18Å; L168-Y174 HydrophobicContact CD1-CE1 3.64Å; L168-Y174 HydrophobicContact CD2-CD1 4.13Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE1 3.88Å; L168-Y174 HydrophobicContact CD2-CE2 3.45Å; L168-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L168-Y174 HydrophobicContact CD2-CG 4.05Å; L168-Y174 HydrophobicContact CG-CD1 4.48Å; L168-Y174 HydrophobicContact CG-CE1 4.26Å; L168-L240 HydrophobicContact CD2-CD1 4.37Å; L168-C243 HydrophobicContact CD2-CB 3.95Å
169S91.9Very high91.6Very high95 Ų9560.3 Ų60.366%0.66431%0.314SS*.THydrogen-bonded Turntrans-60-20.5173.677.80000114Q165 Q166 F167Q165-S169 WeakPolarHBondContact O-CB 3.48Å; Q165-S169 PolarHBondContact O-N 3.48Å; Q166-S169 PolarHBondContact O-OG 3.15Å; F167-S169 PolarHBondContact O-N 3.07Å
170R91.9Very high92.1Very high124 Ų12461.2 Ų61.247%0.46831%0.312SS..THydrogen-bonded Turntrans-95.9-7.8178-60176.7-177.7168.43.6113.1F167 L168 P172F167-R170 WeakPolarHBondContact O-CB 3.27Å; F167-R170 PolarHBondContact O-N 3.07Å; L168-R170 PolarHBondContact O-N 3.24Å; L168-R170 VanDerWaalsContact O-N 3.12Å; R170-P172 WeakPolarHBondContact O-CD 3.44Å
171V92.7Very high92.5Very high7 Ų758.5 Ų58.54%0.04230%0.299CS..SBendtrans-91114.1177.7-177.10000108.2F167 L168 H173 Y174 F228 W231 L240F167-V171 HydrophobicContact CD2-CG2 4.25Å; F167-V171 HydrophobicContact CE2-CG2 3.68Å; F167-V171 HydrophobicContact CZ-CG2 3.85Å; L168-V171 PolarHBondContact O-N 2.93Å; V171-H173 PolarHBondContact O-N 3.49Å; V171-Y174 HydrophobicContact CB-CD2 4.44Å; V171-Y174 HydrophobicContact CG1-CD2 4.13Å; V171-F228 HydrophobicContact CG1-CB 4.41Å; V171-F228 HydrophobicContact CG1-CD1 4.17Å; V171-W231 HydrophobicContact CG2-CB 4.44Å; V171-W231 HydrophobicContact CG2-CG 4.36Å; V171-L240 HydrophobicContact CG1-CD1 4.15Å; V171-L240 HydrophobicContact CG2-CD1 4.13Å
172P91.9Very high93.2Very high51 Ų5155.8 Ų55.833%0.33129%0.285SS..THydrogen-bonded Turntrans-58.9137.1-177.9-23.834.2000111.9R170 Y174 P230R170-P172 WeakPolarHBondContact O-CD 3.44Å; P172-Y174 PolarHBondContact O-N 3.33Å; P172-P230 WeakPolarHBondContact CG-O 3.36Å
173H94.4Very high93.8Very high131 Ų13160.3 Ų60.361%0.60630%0.295SS*.THydrogen-bonded Turntrans54.325.5173.3-53.4-62.2000115V171 K175 E176 N177V171-H173 PolarHBondContact O-N 3.49Å; H173-K175 PolarHBondContact O-N 3Å; H173-E176 VanDerWaalsContact CA-OE2 3.22Å; H173-E176 WeakPolarHBondContact CA-OE2 3.31Å; H173-E176 HydrophobicContact CB-CB 4.38Å; H173-E176 PolarHBondContact O-N 3.44Å; H173-N177 VanDerWaalsContact O-CB 3.3Å; H173-N177 WeakPolarHBondContact O-CB 3.45Å; H173-N177 PolarHBondContact O-N 3.15Å; H173-N177 PolarHBondContact O-ND2 3.27Å
174Y95.6Very high94.1Very high13 Ų1361 Ų615%0.05129%0.29CS..Hα-helixtrans-55.5-49-173.5178.2-94.5000112.6L168 V171 P172 N177 I178 F228 L240 C243 V244 D247L168-Y174 HydrophobicContact CB-CD1 4.42Å; L168-Y174 HydrophobicContact CD1-CD1 4.18Å; L168-Y174 HydrophobicContact CD1-CE1 3.64Å; L168-Y174 HydrophobicContact CD2-CD1 4.13Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE1 3.88Å; L168-Y174 HydrophobicContact CD2-CE2 3.45Å; L168-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L168-Y174 HydrophobicContact CD2-CG 4.05Å; L168-Y174 HydrophobicContact CG-CD1 4.48Å; L168-Y174 HydrophobicContact CG-CE1 4.26Å; V171-Y174 HydrophobicContact CB-CD2 4.44Å; V171-Y174 HydrophobicContact CG1-CD2 4.13Å; P172-Y174 PolarHBondContact O-N 3.33Å; Y174-N177 PolarHBondContact O-N 2.94Å; Y174-I178 HydrophobicContact CD1-CG1 4.42Å; Y174-I178 HydrophobicContact CE1-CG1 4Å; Y174-I178 HydrophobicContact CE2-CD1 4.47Å; Y174-I178 WeakPolarHBondContact O-CG1 3.42Å; Y174-I178 PolarHBondContact O-N 3.41Å; Y174-F228 AromaticContact CD2-CD1 3.82Å; Y174-F228 HydrophobicContact CD2-CD1 3.82Å; Y174-F228 AromaticContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CE2-CD1 4.39Å; Y174-F228 AromaticContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CG-CE1 4.4Å; Y174-L240 HydrophobicContact CD2-CD1 4.02Å; Y174-L240 HydrophobicContact CE2-CD1 3.82Å; Y174-C243 PolarHBondContact OH-O 3.12Å; Y174-C243 VanDerWaalsContact OH-O 3.1Å; Y174-V244 HydrophobicContact CE2-CG2 3.82Å; Y174-V244 PolarHBondContact OH-N 3.39Å; Y174-D247 WeakPolarHBondContact CE1-OD2 3.48Å; Y174-D247 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D247 PolarHBondContact OH-OD2 3.01Å
175K95.8Very high94.2Very high142 Ų14259.5 Ų59.562%0.61729%0.285SS*.Hα-helixtrans-66-42.9-177.9-69-175.4179.2-179.60111.6H173 N177 I178 E179H173-K175 PolarHBondContact O-N 3Å; K175-N177 VanDerWaalsContact C-N 3.34Å; K175-I178 PolarHBondContact O-N 3.42Å; K175-E179 PolarHBondContact O-N 2.76Å; K175-E179 VanDerWaalsContact O-N 3.12Å
176E96Very high94.3Very high106 Ų10663.2 Ų63.250%0.49530%0.296SS..Hα-helixtrans-62.3-43.1177.9-63.677.6-17500110.8H173 I178 E179 V180H173-E176 VanDerWaalsContact CA-OE2 3.22Å; H173-E176 WeakPolarHBondContact CA-OE2 3.31Å; H173-E176 HydrophobicContact CB-CB 4.38Å; H173-E176 PolarHBondContact O-N 3.44Å; E176-I178 PolarHBondContact O-N 2.63Å; E176-E179 WeakPolarHBondContact O-CB 3.42Å; E176-E179 PolarHBondContact O-N 3.16Å; E176-V180 WeakPolarHBondContact O-CG2 3.41Å; E176-V180 PolarHBondContact O-N 2.84Å
177N96Very high94.4Very high24 Ų2461.8 Ų61.813%0.12830%0.301CS..Hα-helixtrans-63.4-41.7177.6-71.9-13.6000112H173 Y174 K175 E179 V180 L181 V226 T227 F228H173-N177 VanDerWaalsContact O-CB 3.3Å; H173-N177 WeakPolarHBondContact O-CB 3.45Å; H173-N177 PolarHBondContact O-N 3.15Å; H173-N177 PolarHBondContact O-ND2 3.27Å; Y174-N177 PolarHBondContact O-N 2.94Å; K175-N177 VanDerWaalsContact C-N 3.34Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.45Å; N177-V180 PolarHBondContact O-N 3Å; N177-L181 WeakPolarHBondContact O-CG 3.33Å; N177-L181 PolarHBondContact O-N 3.13Å; N177-V226 HydrophobicContact CB-CG1 3.86Å; N177-T227 PolarHBondContact ND2-O 2.9Å; N177-F228 HydrophobicContact CB-CD1 4.16Å; N177-F228 HydrophobicContact CB-CE1 3.5Å; N177-F228 HydrophobicContact CB-CE2 4.18Å; N177-F228 HydrophobicContact CB-CZ 3.53Å
178I97.4Very high94.3Very high2 Ų264.7 Ų64.71%0.0132%0.315CS..Hα-helixtrans-59.2-42.5173.4-65.2-68.5000111Y174 K175 E176 L181 I182 F228 V244 D247 I248Y174-I178 HydrophobicContact CD1-CG1 4.42Å; Y174-I178 HydrophobicContact CE1-CG1 4Å; Y174-I178 HydrophobicContact CE2-CD1 4.47Å; Y174-I178 WeakPolarHBondContact O-CG1 3.42Å; Y174-I178 PolarHBondContact O-N 3.41Å; K175-I178 PolarHBondContact O-N 3.42Å; E176-I178 PolarHBondContact O-N 2.63Å; I178-L181 PolarHBondContact O-N 2.98Å; I178-I182 HydrophobicContact CG2-CD1 3.97Å; I178-I182 WeakPolarHBondContact O-CG1 3.4Å; I178-I182 PolarHBondContact O-N 3.08Å; I178-I182 VanDerWaalsContact O-N 3.14Å; I178-F228 HydrophobicContact CD1-CZ 4.31Å; I178-V244 HydrophobicContact CD1-CB 4.11Å; I178-V244 HydrophobicContact CD1-CG1 3.79Å; I178-V244 HydrophobicContact CD1-CG2 4.05Å; I178-D247 HydrophobicContact CD1-CB 4.47Å; I178-I248 HydrophobicContact CD1-CD1 4.4Å; I178-I248 HydrophobicContact CD1-CG1 4.25Å; I178-I248 HydrophobicContact CG2-CG1 4.27Å
179E96.3Very high94.1Very high82 Ų8264.9 Ų64.938%0.38332%0.318SS..Hα-helixtrans-64.5-41.9176-69.6-173.7-169.700112.7K175 E176 N177 I182 R183K175-E179 PolarHBondContact O-N 2.76Å; K175-E179 VanDerWaalsContact O-N 3.12Å; E176-E179 WeakPolarHBondContact O-CB 3.42Å; E176-E179 PolarHBondContact O-N 3.16Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.45Å; E179-I182 PolarHBondContact O-N 3.18Å; E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 WeakPolarHBondContact O-CG 3.2Å; E179-R183 PolarHBondContact O-N 2.94Å; E179-R183 IonicContact OE2-CZ 3.71Å; E179-R183 IonicContact OE2-NH2 2.79Å; E179-R183 PolarHBondContact OE2-NH2 3.45Å
180V95.6Very high93.8Very high58 Ų5866.7 Ų66.735%0.35233%0.325SS..Hα-helixtrans-61.5-47176.8171.50000110.7E176 N177 I182 R183 I184 V226E176-V180 WeakPolarHBondContact O-CG2 3.41Å; E176-V180 PolarHBondContact O-N 2.84Å; N177-V180 PolarHBondContact O-N 3Å; V180-I182 VanDerWaalsContact C-N 3.33Å; V180-I182 PolarHBondContact O-N 3.49Å; V180-R183 PolarHBondContact O-N 3.34Å; V180-R183 VanDerWaalsContact O-N 3.15Å; V180-I184 HydrophobicContact CG1-CD1 3.67Å; V180-I184 HydrophobicContact CG1-CG1 4.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 3.32Å; V180-V226 HydrophobicContact CG1-CG2 3.84Å
181L96.1Very high93.6Very high0 Ų065.4 Ų65.40%034%0.34CS..Hα-helixtrans-53.9-49.7176.1-72.9173.1000111.5N177 I178 R183 I184 A185 I197 I199 V226 F228 V244 I248 L277N177-L181 WeakPolarHBondContact O-CG 3.33Å; N177-L181 PolarHBondContact O-N 3.13Å; I178-L181 PolarHBondContact O-N 2.98Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 2.87Å; L181-I184 PolarHBondContact O-N 2.88Å; L181-A185 VanDerWaalsContact O-CB 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.18Å; L181-A185 PolarHBondContact O-N 3.1Å; L181-I197 HydrophobicContact CD2-CB 4.3Å; L181-I197 HydrophobicContact CD2-CD1 4.32Å; L181-I197 HydrophobicContact CD2-CG2 3.71Å; L181-I197 WeakPolarHBondContact O-CD1 3.44Å; L181-I199 HydrophobicContact CD1-CD1 4.28Å; L181-I199 HydrophobicContact CD2-CG1 4.15Å; L181-V226 HydrophobicContact CD2-CB 3.68Å; L181-V226 HydrophobicContact CD2-CG1 4.16Å; L181-V226 HydrophobicContact CD2-CG2 3.61Å; L181-V226 HydrophobicContact CG-CB 4.2Å; L181-V226 HydrophobicContact CG-CG1 4.11Å; L181-V226 HydrophobicContact CG-CG2 4.2Å; L181-F228 HydrophobicContact CD1-CE2 3.99Å; L181-F228 HydrophobicContact CD1-CZ 3.94Å; L181-V244 HydrophobicContact CD1-CG1 4.08Å; L181-I248 HydrophobicContact CD1-CD1 4.21Å; L181-L277 HydrophobicContact CB-CD2 4.36Å; L181-L277 HydrophobicContact CD1-CD2 3.97Å; L181-L277 HydrophobicContact CD2-CD2 4.02Å; L181-L277 HydrophobicContact CG-CD2 4.35Å
182I96.2Very high93.6Very high11 Ų1167 Ų676%0.05636%0.355CS..Hα-helixtrans-64.7-39.3180-70.4164.9000111.6I178 E179 V180 A185 R186 R251 Y253 F279I178-I182 HydrophobicContact CG2-CD1 3.97Å; I178-I182 WeakPolarHBondContact O-CG1 3.4Å; I178-I182 PolarHBondContact O-N 3.08Å; I178-I182 VanDerWaalsContact O-N 3.14Å; E179-I182 PolarHBondContact O-N 3.18Å; V180-I182 VanDerWaalsContact C-N 3.33Å; V180-I182 PolarHBondContact O-N 3.49Å; I182-A185 PolarHBondContact O-N 3.37Å; I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.31Å; I182-R186 WeakPolarHBondContact O-CG 2.88Å; I182-R186 PolarHBondContact O-N 3.27Å; I182-R251 VanDerWaalsContact CD1-CD 3.42Å; I182-Y253 HydrophobicContact CD1-CD2 4.44Å; I182-Y253 HydrophobicContact CD1-CE2 3.92Å; I182-Y253 HydrophobicContact CG1-CD2 4.47Å; I182-Y253 HydrophobicContact CG1-CE2 4.05Å; I182-Y253 HydrophobicContact CG2-CE1 4.45Å; I182-Y253 HydrophobicContact CG2-CE2 3.98Å; I182-Y253 WeakPolarHBondContact CG2-OH 3.49Å; I182-F279 HydrophobicContact CG1-CE1 4.47Å; I182-F279 HydrophobicContact CG1-CZ 4.38Å
183R95.3Very high93.6Very high157 Ų15770.4 Ų70.459%0.59236%0.361SS*.Hα-helixtrans-64.5-46.7178.5-73.6171.4-164.1-175.48.1111.5E179 V180 L181 A185 R186 A187E179-R183 WeakPolarHBondContact O-CB 3.45Å; E179-R183 WeakPolarHBondContact O-CG 3.2Å; E179-R183 PolarHBondContact O-N 2.94Å; E179-R183 IonicContact OE2-CZ 3.71Å; E179-R183 IonicContact OE2-NH2 2.79Å; E179-R183 PolarHBondContact OE2-NH2 3.45Å; V180-R183 PolarHBondContact O-N 3.34Å; V180-R183 VanDerWaalsContact O-N 3.15Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-R183 PolarHBondContact O-N 2.87Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-R186 PolarHBondContact O-N 2.83Å; R183-A187 PolarHBondContact O-N 3.2Å; R183-A187 VanDerWaalsContact O-N 3.15Å
184I92.9Very high93.6Very high51 Ų5171.7 Ų71.726%0.26236%0.36SS..Hα-helixtrans-60.8-47.6176-64.7168.2000109.5V180 L181 R186 A187 E188 I197 V226V180-I184 HydrophobicContact CG1-CD1 3.67Å; V180-I184 HydrophobicContact CG1-CG1 4.29Å; V180-I184 WeakPolarHBondContact O-CG1 3.44Å; V180-I184 PolarHBondContact O-N 3.32Å; L181-I184 PolarHBondContact O-N 2.88Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.38Å; I184-A187 WeakPolarHBondContact O-CB 3.36Å; I184-A187 PolarHBondContact O-N 3.43Å; I184-A187 VanDerWaalsContact O-N 3.07Å; I184-E188 PolarHBondContact O-N 2.83Å; I184-I197 HydrophobicContact CB-CD1 3.77Å; I184-I197 HydrophobicContact CB-CG1 4.39Å; I184-I197 HydrophobicContact CG2-CD1 3.7Å; I184-I197 HydrophobicContact CG2-CG1 3.77Å; I184-V226 HydrophobicContact CD1-CG2 3.92Å
185A94.4Very high93.6Very high0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-58.9-46.2-177.300000111.6L181 I182 R183 A187 E188 A189 S195 I197 F279 W281L181-A185 VanDerWaalsContact O-CB 3.3Å; L181-A185 WeakPolarHBondContact O-CB 3.18Å; L181-A185 PolarHBondContact O-N 3.1Å; I182-A185 PolarHBondContact O-N 3.37Å; R183-A185 VanDerWaalsContact C-N 3.34Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 2.78Å; A185-E188 PolarHBondContact O-N 3.42Å; A185-A189 PolarHBondContact O-N 2.93Å; A185-S195 WeakPolarHBondContact O-CB 3.25Å; A185-S195 PolarHBondContact O-OG 2.86Å; A185-I197 HydrophobicContact CB-CD1 3.8Å; A185-F279 HydrophobicContact CB-CB 4.38Å; A185-F279 HydrophobicContact CB-CD1 3.91Å; A185-F279 HydrophobicContact CB-CD2 3.39Å; A185-F279 HydrophobicContact CB-CE1 3.96Å; A185-F279 HydrophobicContact CB-CE2 3.43Å; A185-F279 VanDerWaalsContact CB-CE2 3.43Å; A185-F279 HydrophobicContact CB-CG 3.64Å; A185-F279 HydrophobicContact CB-CZ 3.73Å; A185-W281 HydrophobicContact CB-CH2 4.36Å; A185-W281 HydrophobicContact CB-CZ2 3.76Å; A185-W281 VanDerWaalsContact O-CZ2 3.23Å; A185-W281 WeakPolarHBondContact O-CZ2 3.38Å
186R94.6Very high93.4Very high149 Ų14967.2 Ų67.256%0.56235%0.346SS*.Hα-helixtrans-63-35.8177.6-75.5178.1172.8-158.2-5.3112.7I182 R183 I184 A189 Y253 W281I182-R186 HydrophobicContact CG2-CG 4.45Å; I182-R186 WeakPolarHBondContact O-CB 3.34Å; I182-R186 VanDerWaalsContact O-CG 3.31Å; I182-R186 WeakPolarHBondContact O-CG 2.88Å; I182-R186 PolarHBondContact O-N 3.27Å; R183-R186 PolarHBondContact O-N 2.83Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.38Å; R186-A189 WeakPolarHBondContact O-CB 3.3Å; R186-A189 PolarHBondContact O-N 3.43Å; R186-Y253 PolarHBondContact NE-OH 2.84Å; R186-Y253 PolarHBondContact NH2-OH 3.01Å; R186-W281 HydrophobicContact CB-CH2 4.25Å; R186-W281 HydrophobicContact CG-CH2 3.54Å; R186-W281 HydrophobicContact CG-CZ2 4.47Å; R186-W281 HydrophobicContact CG-CZ3 4.11Å
187A91.3Very high93.2Very high70 Ų7062.3 Ų62.358%0.57932%0.323SS*.Hα-helixtrans-66.6-40.5176.900000111.4R183 I184 A185R183-A187 PolarHBondContact O-N 3.2Å; R183-A187 VanDerWaalsContact O-N 3.15Å; I184-A187 WeakPolarHBondContact O-CB 3.36Å; I184-A187 PolarHBondContact O-N 3.43Å; I184-A187 VanDerWaalsContact O-N 3.07Å; A185-A187 VanDerWaalsContact C-N 3.31Å; A185-A187 PolarHBondContact O-N 2.78Å
188E89.6Confident93Very high75 Ų7561.8 Ų61.835%0.3532%0.32SS..Hα-helixtrans-71.1-30.2176-73.6179.3-159.900113.5I184 A185 V190 A191 A192 S195 T196I184-E188 PolarHBondContact O-N 2.83Å; A185-E188 PolarHBondContact O-N 3.42Å; E188-V190 PolarHBondContact O-N 3.39Å; E188-A191 PolarHBondContact O-N 3.14Å; E188-A192 PolarHBondContact O-N 3.48Å; E188-S195 WeakPolarHBondContact CB-OG 3.48Å; E188-S195 WeakPolarHBondContact OE2-CA 3.33Å; E188-S195 WeakPolarHBondContact OE2-CB 3.33Å; E188-T196 PolarHBondContact OE2-N 2.93Å
189A90.9Very high92.8Very high15 Ų1561.7 Ų61.712%0.12432%0.32CS..THydrogen-bonded Turntrans-57.5-22.3-179.600000113.7A185 R186 A191 S195 W281 W282A185-A189 PolarHBondContact O-N 2.93Å; R186-A189 WeakPolarHBondContact O-CB 3.3Å; R186-A189 PolarHBondContact O-N 3.43Å; A189-A191 PolarHBondContact O-N 2.91Å; A189-S195 PolarHBondContact N-OG 3.37Å; A189-W281 HydrophobicContact CB-CD2 3.56Å; A189-W281 HydrophobicContact CB-CE3 4.13Å; A189-W281 HydrophobicContact CB-CG 3.91Å; A189-W281 HydrophobicContact CB-CH2 4.28Å; A189-W281 HydrophobicContact CB-CZ2 3.71Å; A189-W281 HydrophobicContact CB-CZ3 4.45Å; A189-W282 WeakPolarHBondContact O-CH2 3.44Å
190V85.9Confident92.5Very high133 Ų13357.8 Ų57.881%0.80630%0.302SS*.THydrogen-bonded Turntrans-64.1-29.6177.2-1790000111.6E188E188-V190 PolarHBondContact O-N 3.39Å
191A87.1Confident92.2Very high97 Ų9755.1 Ų55.180%0.80229%0.285SS*.THydrogen-bonded Turntrans-107.8-19.2-174.600000113.8E188 A189E188-A191 PolarHBondContact O-N 3.14Å; A189-A191 PolarHBondContact O-N 2.91Å
192A91.5Very high91.7Very high41 Ų4155.6 Ų55.634%0.33929%0.288SS..  trans-146148.8-171.500000113.7E188 R194 W282E188-A192 PolarHBondContact O-N 3.48Å; A192-R194 VanDerWaalsContact CB-O 3.31Å; A192-R194 WeakPolarHBondContact CB-O 3.25Å; A192-R194 PolarHBondContact O-N 2.58Å; A192-W282 WeakPolarHBondContact O-CH2 3.4Å
193R93.3Very high91Very high122 Ų12260.3 Ų60.346%0.4631%0.305SS..SBendtrans-62.3-24.4171.5-178.1-176.4172.687.35.6112.6W281 W282R193-W281 PolarHBondContact O-N 3.31Å; R193-W282 HydrophobicContact CB-CZ2 3.97Å; R193-W282 HydrophobicContact CG-CD2 4.49Å; R193-W282 WeakPolarHBondContact CG-O 3.39Å; R193-W282 PolarHBondContact NE-O 3.45Å; R193-W282 VanDerWaalsContact NE-O 3.14Å; R193-W282 PolarHBondContact NH1-O 3.45Å; R193-W282 PolarHBondContact NH1-OXT 3.2Å; R193-W282 PolarHBondContact NH2-O 3.43Å; R193-W282 PolarHBondContact NH2-OXT 2.93Å
194R94.3Very high90.2Very high158 Ų15855.4 Ų55.460%0.59629%0.293SS*.EExtended strand (participates in β ladder)trans-128.1133.1179.1-67.7-178.7174.7169.2-0.3110.3A192 T278 F279A192-R194 VanDerWaalsContact CB-O 3.31Å; A192-R194 WeakPolarHBondContact CB-O 3.25Å; A192-R194 PolarHBondContact O-N 2.58Å; R194-T278 HydrophobicContact CB-CG2 4.14Å; R194-T278 HydrophobicContact CG-CG2 4.33Å; R194-F279 WeakPolarHBondContact CA-O 3.45Å
195S94.5Very high89.3Confident0 Ų060.9 Ų60.90%032%0.315CS..EExtended strand (participates in β ladder)trans-106.7135.9170.6-51.20000108.5A185 E188 A189 T278 F279 W281A185-S195 WeakPolarHBondContact O-CB 3.25Å; A185-S195 PolarHBondContact O-OG 2.86Å; E188-S195 WeakPolarHBondContact CB-OG 3.48Å; E188-S195 WeakPolarHBondContact OE2-CA 3.33Å; E188-S195 WeakPolarHBondContact OE2-CB 3.33Å; A189-S195 PolarHBondContact N-OG 3.37Å; S195-T278 CarbonylContact O-C 3.57Å; S195-T278 WeakPolarHBondContact O-CA 3.41Å; S195-F279 PolarHBondContact N-O 3.37Å; S195-F279 VanDerWaalsContact N-O 3.16Å; S195-F279 PolarHBondContact O-N 3.21Å; S195-W281 PolarHBondContact OG-NE1 3.38Å
196T92.3Very high88.1Confident61 Ų6167.3 Ų67.337%0.37435%0.349SS..EExtended strand (participates in β ladder)trans-125.9119.5-174-62.90000109.3E188 K276 L277E188-T196 PolarHBondContact OE2-N 2.93Å; T196-K276 HydrophobicContact CG2-CD 3.57Å; T196-K276 HydrophobicContact CG2-CG 3.33Å; T196-L277 WeakPolarHBondContact CA-O 3.28Å
197I92.6Very high86.9Confident3 Ų361.6 Ų61.62%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-123.4137.4-178.1-52.2168000108.7L181 I184 A185 V226 L277 F279L181-I197 HydrophobicContact CD2-CB 4.3Å; L181-I197 HydrophobicContact CD2-CD1 4.32Å; L181-I197 HydrophobicContact CD2-CG2 3.71Å; L181-I197 WeakPolarHBondContact O-CD1 3.44Å; I184-I197 HydrophobicContact CB-CD1 3.77Å; I184-I197 HydrophobicContact CB-CG1 4.39Å; I184-I197 HydrophobicContact CG2-CD1 3.7Å; I184-I197 HydrophobicContact CG2-CG1 3.77Å; A185-I197 HydrophobicContact CB-CD1 3.8Å; I197-V226 HydrophobicContact CG2-CG2 4.3Å; I197-L277 PolarHBondContact N-O 3.28Å; I197-L277 PolarHBondContact O-N 2.85Å; I197-F279 HydrophobicContact CD1-CD2 4.46Å; I197-F279 HydrophobicContact CD1-CE2 4.05Å
198L91.4Very high85.8Confident12 Ų1261.4 Ų61.46%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-81.7129.6171.1-65.4179.4000110L218 E223 A225 V226 Y260 H275 K276L198-L218 HydrophobicContact CD1-CD2 3.51Å; L198-L218 HydrophobicContact CD1-CG 4.31Å; L198-E223 HydrophobicContact CD1-CB 3.96Å; L198-E223 WeakPolarHBondContact CD1-OE2 3.38Å; L198-A225 HydrophobicContact CB-CB 4.03Å; L198-A225 CarbonylContact O-C 3.53Å; L198-A225 VanDerWaalsContact O-CA 3.24Å; L198-A225 WeakPolarHBondContact O-CA 3.48Å; L198-V226 PolarHBondContact O-N 3.03Å; L198-Y260 HydrophobicContact CD1-CE2 4.33Å; L198-Y260 HydrophobicContact CD2-CD2 3.45Å; L198-Y260 VanDerWaalsContact CD2-CD2 3.45Å; L198-Y260 HydrophobicContact CD2-CE2 3.84Å; L198-Y260 HydrophobicContact CD2-CG 4.08Å; L198-H275 CarbonylContact C-O 3.52Å; L198-H275 WeakPolarHBondContact CA-O 3.49Å; L198-K276 HydrophobicContact CD2-CB 4.36Å
199I92.6Very high84.7Confident0 Ų059.9 Ų59.90%032%0.322CS..EExtended strand (participates in β ladder)trans-102.9128.1168.7-57.8-179.9000106.8L181 V201 V226 F228 L241 V244 F274 H275 L277L181-I199 HydrophobicContact CD1-CD1 4.28Å; L181-I199 HydrophobicContact CD2-CG1 4.15Å; I199-V201 HydrophobicContact CG2-CG2 3.8Å; I199-V226 CarbonylContact C-O 3.54Å; I199-V226 WeakPolarHBondContact CA-O 3.46Å; I199-F228 HydrophobicContact CG2-CD2 3.62Å; I199-F228 HydrophobicContact CG2-CE2 3.82Å; I199-L241 HydrophobicContact CG2-CD2 4.44Å; I199-V244 HydrophobicContact CD1-CG1 4.19Å; I199-F274 CarbonylContact O-C 3.54Å; I199-F274 WeakPolarHBondContact O-CA 3.22Å; I199-H275 HydrophobicContact CB-CB 4.42Å; I199-H275 PolarHBondContact N-O 3.22Å; I199-H275 PolarHBondContact O-N 2.77Å; I199-L277 HydrophobicContact CD1-CB 3.67Å; I199-L277 HydrophobicContact CD1-CD2 4.02Å; I199-L277 HydrophobicContact CD1-CG 4.31Å; I199-L277 HydrophobicContact CG1-CB 3.96Å
200C89.5Confident83.6Confident0 Ų065.2 Ų65.20%034%0.343CS..EExtended strand (participates in β ladder)trans-100.3131.2165.2-171.90000109.8Y211 V226 T227 F228 F273 F274C200-Y211 HydrophobicContact CB-CD2 4.42Å; C200-Y211 HydrophobicContact CB-CE2 3.87Å; C200-Y211 WeakPolarHBondContact SG-CD2 3.44Å; C200-Y211 WeakPolarHBondContact SG-CE2 3.46Å; C200-V226 PolarHBondContact N-O 3.12Å; C200-T227 HydrophobicContact CB-CG2 4.17Å; C200-T227 CarbonylContact O-C 3.55Å; C200-T227 VanDerWaalsContact O-CA 3.32Å; C200-T227 WeakPolarHBondContact O-CA 3.38Å; C200-F228 PolarHBondContact O-N 2.94Å; C200-F273 CarbonylContact C-O 3.6Å; C200-F273 WeakPolarHBondContact CA-O 3.31Å; C200-F274 HydrophobicContact CB-CD1 4.04Å; C200-F274 HydrophobicContact CB-CE1 3.76Å; C200-F274 HydrophobicContact CB-CZ 4.41Å
201V89.9Confident82.8Confident2 Ų261 Ų611%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-119.5108.1177.6-174.70000109.2I199 W231 V237 L240 L241 F273I199-V201 HydrophobicContact CG2-CG2 3.8Å; V201-W231 HydrophobicContact CG1-CH2 3.29Å; V201-W231 HydrophobicContact CG1-CZ3 3.42Å; V201-W231 VanDerWaalsContact CG1-CZ3 3.42Å; V201-V237 HydrophobicContact CB-CG1 4.05Å; V201-V237 HydrophobicContact CG1-CB 4.28Å; V201-V237 HydrophobicContact CG1-CG1 3.85Å; V201-V237 HydrophobicContact CG1-CG2 3.92Å; V201-V237 HydrophobicContact CG2-CG1 4.4Å; V201-L240 HydrophobicContact CG1-CD2 3.69Å; V201-L240 HydrophobicContact CG2-CD2 4.4Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å; V201-F273 PolarHBondContact N-O 2.95Å
202M85.6Confident81.9Confident10 Ų1060.4 Ų60.45%0.04930%0.296CS..  trans-101.1118.5175.8-66-172.5-67.300109.1L208 Y211 T227 F228 G229 P230 W231M202-L208 HydrophobicContact SD-CG 4.32Å; M202-Y211 HydrophobicContact CE-CD1 4.48Å; M202-Y211 HydrophobicContact CE-CD2 4.4Å; M202-Y211 HydrophobicContact CE-CE2 4.42Å; M202-Y211 HydrophobicContact CE-CG 4.4Å; M202-Y211 HydrophobicContact CG-CD2 4.14Å; M202-Y211 HydrophobicContact CG-CG 4.45Å; M202-Y211 VanDerWaalsContact SD-CB 3.58Å; M202-Y211 HydrophobicContact SD-CD1 3.95Å; M202-Y211 HydrophobicContact SD-CD2 3.62Å; M202-Y211 HydrophobicContact SD-CE2 4.22Å; M202-Y211 HydrophobicContact SD-CG 3.44Å; M202-T227 HydrophobicContact CE-CG2 3.31Å; M202-T227 HydrophobicContact CG-CG2 4.45Å; M202-T227 HydrophobicContact SD-CG2 4.46Å; M202-F228 PolarHBondContact N-O 3.03Å; M202-G229 WeakPolarHBondContact O-CA 3.38Å; M202-P230 VanDerWaalsContact O-CA 3.31Å; M202-P230 WeakPolarHBondContact O-CA 3.36Å; M202-W231 WeakPolarHBondContact O-CZ3 3.34Å
203R82.2Confident80.8Confident110 Ų11063.5 Ų63.542%0.41531%0.307SS..  trans-81.8-50.3177.2-170.2-179.5-176.2-162.41.9110D207 W231R203-D207 PolarHBondContact N-OD2 2.71Å; R203-W231 HydrophobicContact CB-CH2 4.42Å; R203-W231 HydrophobicContact CG-CZ2 4.22Å; R203-W231 PolarHBondContact O-N 2.7Å; R203-W231 VanDerWaalsContact O-N 3.17Å
204T78.5Confident79.6Confident55 Ų5558.2 Ų58.234%0.33729%0.29SS..SBendtrans-115.1164-170.6720000112.3D206 D207T204-D206 PolarHBondContact O-N 2.87Å; T204-D206 PolarHBondContact OG1-N 3.22Å; T204-D207 PolarHBondContact N-OD2 3.42Å; T204-D207 WeakPolarHBondContact O-CB 3.5Å; T204-D207 PolarHBondContact O-N 2.77Å; T204-D207 PolarHBondContact OG1-N 3.04Å; T204-D207 PolarHBondContact OG1-OD1 2.91Å; T204-D207 PolarHBondContact OG1-OD2 3.17Å
205K72.7Confident78.4Confident166 Ų16651.9 Ų51.972%0.72227%0.268SS*.SBendtrans-71-18.5172.5-69.6-172.4177.5-175.70112.8L208 P230K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.12Å; K205-P230 HydrophobicContact CG-CB 4.41Å; K205-P230 HydrophobicContact CG-CG 4.12Å
206D70.6Confident77.1Confident135 Ų13556.5 Ų56.572%0.72229%0.293SS*.THydrogen-bonded Turntrans-74.7-24.2177.3-57.8-29.8000110.7T204 L208T204-D206 PolarHBondContact O-N 2.87Å; T204-D206 PolarHBondContact OG1-N 3.22Å; D206-L208 PolarHBondContact O-N 3.49Å
207D69.3Low75.9Confident28 Ų2856.7 Ų56.715%0.1530%0.297CS..THydrogen-bonded Turntrans-69.7-16.9176-56.6-38.3000112.9R203 T204 G209 F210 Y211 F273R203-D207 PolarHBondContact N-OD2 2.71Å; T204-D207 PolarHBondContact N-OD2 3.42Å; T204-D207 WeakPolarHBondContact O-CB 3.5Å; T204-D207 PolarHBondContact O-N 2.77Å; T204-D207 PolarHBondContact OG1-N 3.04Å; T204-D207 PolarHBondContact OG1-OD1 2.91Å; T204-D207 PolarHBondContact OG1-OD2 3.17Å; D207-G209 VanDerWaalsContact C-N 3.34Å; D207-G209 PolarHBondContact O-N 3.15Å; D207-F210 PolarHBondContact O-N 3.23Å; D207-Y211 WeakPolarHBondContact O-CB 3.13Å; D207-Y211 PolarHBondContact O-N 3.37Å; D207-F273 HydrophobicContact CB-CD1 4.41Å; D207-F273 HydrophobicContact CB-CE1 3.83Å; D207-F273 HydrophobicContact CB-CZ 4.38Å
208L68.2Low74.7Confident67 Ų6757 Ų5735%0.35130%0.299SS..Hα-helixtrans-61.6-38.4-178.3-113.5132.9000112.8M202 K205 D206 F210 Y211 D212 P230M202-L208 HydrophobicContact SD-CG 4.32Å; K205-L208 WeakPolarHBondContact O-CB 3.31Å; K205-L208 PolarHBondContact O-N 3.12Å; D206-L208 PolarHBondContact O-N 3.49Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.35Å; L208-Y211 WeakPolarHBondContact O-CB 3.33Å; L208-Y211 PolarHBondContact O-N 2.84Å; L208-D212 PolarHBondContact O-N 3.28Å; L208-P230 HydrophobicContact CD1-CG 4.4Å
209G66.4Low73.2Confident42 Ų4262.6 Ų62.643%0.43332%0.324SS..Hα-helixtrans-69.1-29.7179.500000113.1D207 N213D207-G209 VanDerWaalsContact C-N 3.34Å; D207-G209 PolarHBondContact O-N 3.15Å; G209-N213 PolarHBondContact O-ND2 2.85Å
210F67.3Low71.6Confident128 Ų12867 Ų6756%0.56136%0.36SS*.Hα-helixtrans-79-35.7173.1-63.6-75.6000111.2D207 L208 N213 A214 F273D207-F210 PolarHBondContact O-N 3.23Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 3.35Å; F210-N213 PolarHBondContact O-N 3.07Å; F210-A214 WeakPolarHBondContact O-CB 3.13Å; F210-A214 PolarHBondContact O-N 3.04Å; F210-F273 HydrophobicContact CB-CE2 4.27Å
211Y69.1Low70.3Confident45 Ų4569.3 Ų69.318%0.17639%0.385CS..Hα-helixtrans-58.5-51.3174.1174.7-98.8000112.1C200 M202 D207 L208 N213 A214 V215 T227C200-Y211 HydrophobicContact CB-CD2 4.42Å; C200-Y211 HydrophobicContact CB-CE2 3.87Å; C200-Y211 WeakPolarHBondContact SG-CD2 3.44Å; C200-Y211 WeakPolarHBondContact SG-CE2 3.46Å; M202-Y211 HydrophobicContact CE-CD1 4.48Å; M202-Y211 HydrophobicContact CE-CD2 4.4Å; M202-Y211 HydrophobicContact CE-CE2 4.42Å; M202-Y211 HydrophobicContact CE-CG 4.4Å; M202-Y211 HydrophobicContact CG-CD2 4.14Å; M202-Y211 HydrophobicContact CG-CG 4.45Å; M202-Y211 VanDerWaalsContact SD-CB 3.58Å; M202-Y211 HydrophobicContact SD-CD1 3.95Å; M202-Y211 HydrophobicContact SD-CD2 3.62Å; M202-Y211 HydrophobicContact SD-CE2 4.22Å; M202-Y211 HydrophobicContact SD-CG 3.44Å; D207-Y211 WeakPolarHBondContact O-CB 3.13Å; D207-Y211 PolarHBondContact O-N 3.37Å; L208-Y211 WeakPolarHBondContact O-CB 3.33Å; L208-Y211 PolarHBondContact O-N 2.84Å; Y211-N213 PolarHBondContact O-N 3.32Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 PolarHBondContact O-N 2.88Å; Y211-V215 HydrophobicContact CD1-CG2 3.86Å; Y211-V215 HydrophobicContact CD2-CG2 3.69Å; Y211-V215 HydrophobicContact CE1-CB 4.49Å; Y211-V215 HydrophobicContact CE1-CG2 3.53Å; Y211-V215 HydrophobicContact CE2-CG2 3.34Å; Y211-V215 HydrophobicContact CG-CG2 3.95Å; Y211-V215 WeakPolarHBondContact O-CB 3.37Å; Y211-V215 WeakPolarHBondContact O-CG2 3.4Å; Y211-V215 PolarHBondContact O-N 3.49Å; Y211-T227 HydrophobicContact CE2-CG2 3.95Å; Y211-T227 PolarHBondContact OH-OG1 3.37Å
212D68.7Low68.8Low83 Ų8378.3 Ų78.344%0.44442%0.424SS..Hα-helixtrans-57.2-40.7-178.2-73.1-17.9000111.6L208 N216L208-D212 PolarHBondContact O-N 3.28Å; D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.33Å; D212-N216 PolarHBondContact O-ND2 2.89Å
213N68.7Low67.9Low107 Ų10781.9 Ų81.957%0.57244%0.44SS*.Hα-helixtrans-66.7-40.5176.3-70.9-45.7000112.9G209 F210 Y211 S217G209-N213 PolarHBondContact O-ND2 2.85Å; F210-N213 PolarHBondContact O-N 3.07Å; Y211-N213 PolarHBondContact O-N 3.32Å; N213-S217 PolarHBondContact O-N 3.33Å; N213-S217 PolarHBondContact O-OG 3.43Å
214A66.8Low67.3Low11 Ų1181.2 Ų81.29%0.09145%0.452CS..Hα-helixtrans-71.1-43.1178.400000111.8F210 Y211 N216 S217 L218 Y271 F274F210-A214 WeakPolarHBondContact O-CB 3.13Å; F210-A214 PolarHBondContact O-N 3.04Å; Y211-A214 CarbonylContact O-C 3.59Å; Y211-A214 PolarHBondContact O-N 2.88Å; A214-N216 PolarHBondContact O-N 2.84Å; A214-S217 WeakPolarHBondContact O-CA 3.27Å; A214-S217 VanDerWaalsContact O-CB 3.28Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.16Å; A214-L218 WeakPolarHBondContact O-CD1 3.35Å; A214-L218 PolarHBondContact O-N 2.89Å; A214-Y271 HydrophobicContact CB-CD1 4.23Å; A214-Y271 HydrophobicContact CB-CE1 3.97Å; A214-F274 HydrophobicContact CB-CE2 3.49Å; A214-F274 VanDerWaalsContact CB-CE2 3.49Å; A214-F274 HydrophobicContact CB-CZ 3.89Å
215V69.1Low67.6Low24 Ų2480.2 Ų80.215%0.14545%0.45CS..Hα-helixtrans-61.7-44.2177.11720000111.4Y211 S217 L218 E219Y211-V215 HydrophobicContact CD1-CG2 3.86Å; Y211-V215 HydrophobicContact CD2-CG2 3.69Å; Y211-V215 HydrophobicContact CE1-CB 4.49Å; Y211-V215 HydrophobicContact CE1-CG2 3.53Å; Y211-V215 HydrophobicContact CE2-CG2 3.34Å; Y211-V215 HydrophobicContact CG-CG2 3.95Å; Y211-V215 WeakPolarHBondContact O-CB 3.37Å; Y211-V215 WeakPolarHBondContact O-CG2 3.4Å; Y211-V215 PolarHBondContact O-N 3.49Å; V215-S217 PolarHBondContact O-N 3.04Å; V215-S217 VanDerWaalsContact O-N 3.15Å; V215-L218 PolarHBondContact O-N 3.11Å; V215-E219 HydrophobicContact CG1-CG 4.07Å; V215-E219 WeakPolarHBondContact O-CG 3.36Å; V215-E219 PolarHBondContact O-N 3.39Å
216N68.4Low68.4Low98 Ų9872.8 Ų72.852%0.52442%0.418SS..Hα-helixtrans-56.5-32.4174-72.8-30.3000112.1D212 A214 A220D212-N216 WeakPolarHBondContact O-CB 3.46Å; D212-N216 PolarHBondContact O-N 3.33Å; D212-N216 PolarHBondContact O-ND2 2.89Å; A214-N216 PolarHBondContact O-N 2.84Å; N216-A220 PolarHBondContact O-N 2.89Å
217S65.6Low69.3Low65 Ų6567.9 Ų67.946%0.45539%0.393SS..Hα-helixtrans-75.7-36.3176-54.80000112.6N213 A214 V215 G221N213-S217 PolarHBondContact O-N 3.33Å; N213-S217 PolarHBondContact O-OG 3.43Å; A214-S217 WeakPolarHBondContact O-CA 3.27Å; A214-S217 VanDerWaalsContact O-CB 3.28Å; A214-S217 WeakPolarHBondContact O-CB 3.34Å; A214-S217 PolarHBondContact O-N 3.16Å; V215-S217 PolarHBondContact O-N 3.04Å; V215-S217 VanDerWaalsContact O-N 3.15Å; S217-G221 PolarHBondContact O-N 3.12Å
218L67.8Low70.4Confident9 Ų966.5 Ų66.55%0.04739%0.386CS..Hα-helixtrans-69.8-41.3174-88.179.6000112.5L198 A214 V215 A220 G221 K222 E223 A225 F274L198-L218 HydrophobicContact CD1-CD2 3.51Å; L198-L218 HydrophobicContact CD1-CG 4.31Å; A214-L218 WeakPolarHBondContact O-CD1 3.35Å; A214-L218 PolarHBondContact O-N 2.89Å; V215-L218 PolarHBondContact O-N 3.11Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 3.16Å; L218-G221 CarbonylContact O-C 3.54Å; L218-G221 VanDerWaalsContact O-CA 3.27Å; L218-G221 WeakPolarHBondContact O-CA 3.22Å; L218-G221 PolarHBondContact O-N 3.02Å; L218-K222 PolarHBondContact O-N 3.04Å; L218-K222 VanDerWaalsContact O-N 3.08Å; L218-E223 HydrophobicContact CB-CB 4.43Å; L218-E223 HydrophobicContact CD2-CB 4.41Å; L218-E223 HydrophobicContact CG-CB 4.41Å; L218-E223 PolarHBondContact O-N 3.24Å; L218-E223 VanDerWaalsContact O-N 3.11Å; L218-A225 HydrophobicContact CD2-CB 4.09Å; L218-F274 HydrophobicContact CD1-CE1 4.07Å; L218-F274 HydrophobicContact CD1-CE2 4.3Å; L218-F274 HydrophobicContact CD1-CZ 3.9Å; L218-F274 HydrophobicContact CD2-CD1 4.01Å; L218-F274 HydrophobicContact CD2-CE1 3.59Å; L218-F274 HydrophobicContact CD2-CZ 4.23Å
219E59.9Low71.4Confident129 Ų12964 Ų6460%0.60338%0.376SS*.Hα-helixtrans-61.6-38.2178.2-75.6-171.1169.600111.2V215 G221 K222V215-E219 HydrophobicContact CG1-CG 4.07Å; V215-E219 WeakPolarHBondContact O-CG 3.36Å; V215-E219 PolarHBondContact O-N 3.39Å; E219-G221 PolarHBondContact O-N 3.4Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.12Å
220A60.1Low72.4Confident92 Ų9263.8 Ų63.876%0.7637%0.367SS*.Hα-helixtrans-61.5-28.217100000112.8N216 L218N216-A220 PolarHBondContact O-N 2.89Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 3.16Å
221G60.5Low73.3Confident49 Ų4958.2 Ų58.251%0.50534%0.342SS..THydrogen-bonded Turntrans-87.8-3.217500000115.5S217 L218 E219 E223S217-G221 PolarHBondContact O-N 3.12Å; L218-G221 CarbonylContact O-C 3.54Å; L218-G221 VanDerWaalsContact O-CA 3.27Å; L218-G221 WeakPolarHBondContact O-CA 3.22Å; L218-G221 PolarHBondContact O-N 3.02Å; E219-G221 PolarHBondContact O-N 3.4Å; G221-E223 PolarHBondContact O-N 2.79Å
222K60.3Low73.9Confident192 Ų19265.8 Ų65.884%0.83538%0.376SS*.THydrogen-bonded Turntrans60.422-170.2-57.2-180179.3175.70114.7L218 E219L218-K222 PolarHBondContact O-N 3.04Å; L218-K222 VanDerWaalsContact O-N 3.08Å; E219-K222 PolarHBondContact O-N 3.44Å; E219-K222 VanDerWaalsContact O-N 3.12Å
223E65.9Low74.4Confident85 Ų8562.5 Ų62.540%0.39736%0.36SS..  trans-88.2119.3175.7-63.8-177161.800109L198 L218 G221 Y260L198-E223 HydrophobicContact CD1-CB 3.96Å; L198-E223 WeakPolarHBondContact CD1-OE2 3.38Å; L218-E223 HydrophobicContact CB-CB 4.43Å; L218-E223 HydrophobicContact CD2-CB 4.41Å; L218-E223 HydrophobicContact CG-CB 4.41Å; L218-E223 PolarHBondContact O-N 3.24Å; L218-E223 VanDerWaalsContact O-N 3.11Å; G221-E223 PolarHBondContact O-N 2.79Å; E223-Y260 PolarHBondContact OE2-OH 2.94Å
224S69.1Low75.2Confident96 Ų9665.5 Ų65.567%0.67137%0.371SS*.  trans-89.5131.8174.2-62.90000109.8
225A84.1Confident76.3Confident34 Ų3466.7 Ų66.728%0.28138%0.378SS..EExtended strand (participates in β ladder)trans-112.3143.3176.600000111.5L198 L218 F274L198-A225 HydrophobicContact CB-CB 4.03Å; L198-A225 CarbonylContact O-C 3.53Å; L198-A225 VanDerWaalsContact O-CA 3.24Å; L198-A225 WeakPolarHBondContact O-CA 3.48Å; L218-A225 HydrophobicContact CD2-CB 4.09Å; A225-F274 HydrophobicContact CB-CE1 4.14Å
226V89.9Confident77.3Confident10 Ų1067.7 Ų67.76%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-99.6126.4170.7-179.40000108.9N177 V180 L181 I184 I197 L198 I199 C200 F228N177-V226 HydrophobicContact CB-CG1 3.86Å; V180-V226 HydrophobicContact CG1-CG2 3.84Å; L181-V226 HydrophobicContact CD2-CB 3.68Å; L181-V226 HydrophobicContact CD2-CG1 4.16Å; L181-V226 HydrophobicContact CD2-CG2 3.61Å; L181-V226 HydrophobicContact CG-CB 4.2Å; L181-V226 HydrophobicContact CG-CG1 4.11Å; L181-V226 HydrophobicContact CG-CG2 4.2Å; I184-V226 HydrophobicContact CD1-CG2 3.92Å; I197-V226 HydrophobicContact CG2-CG2 4.3Å; L198-V226 PolarHBondContact O-N 3.03Å; I199-V226 CarbonylContact C-O 3.54Å; I199-V226 WeakPolarHBondContact CA-O 3.46Å; C200-V226 PolarHBondContact N-O 3.12Å; V226-F228 HydrophobicContact CG1-CE2 4.3Å
227T90.8Very high78.4Confident31 Ų3165 Ų6519%0.1937%0.373CS..EExtended strand (participates in β ladder)trans-108.1128-167.6-56.90000112.2N177 C200 M202 Y211N177-T227 PolarHBondContact ND2-O 2.9Å; C200-T227 HydrophobicContact CB-CG2 4.17Å; C200-T227 CarbonylContact O-C 3.55Å; C200-T227 VanDerWaalsContact O-CA 3.32Å; C200-T227 WeakPolarHBondContact O-CA 3.38Å; M202-T227 HydrophobicContact CE-CG2 3.31Å; M202-T227 HydrophobicContact CG-CG2 4.45Å; M202-T227 HydrophobicContact SD-CG2 4.46Å; Y211-T227 HydrophobicContact CE2-CG2 3.95Å; Y211-T227 PolarHBondContact OH-OG1 3.37Å
228F91.8Very high79.7Confident0 Ų070.9 Ų70.90%039%0.385CS..EExtended strand (participates in β ladder)trans-108.7135.5170.5-65.3-97.1000110.7V171 Y174 N177 I178 L181 I199 C200 M202 V226 L240 V244V171-F228 HydrophobicContact CG1-CB 4.41Å; V171-F228 HydrophobicContact CG1-CD1 4.17Å; Y174-F228 AromaticContact CD2-CD1 3.82Å; Y174-F228 HydrophobicContact CD2-CD1 3.82Å; Y174-F228 AromaticContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CD2-CE1 3.59Å; Y174-F228 HydrophobicContact CE2-CD1 4.39Å; Y174-F228 AromaticContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CE2-CE1 3.95Å; Y174-F228 HydrophobicContact CG-CE1 4.4Å; N177-F228 HydrophobicContact CB-CD1 4.16Å; N177-F228 HydrophobicContact CB-CE1 3.5Å; N177-F228 HydrophobicContact CB-CE2 4.18Å; N177-F228 HydrophobicContact CB-CZ 3.53Å; I178-F228 HydrophobicContact CD1-CZ 4.31Å; L181-F228 HydrophobicContact CD1-CE2 3.99Å; L181-F228 HydrophobicContact CD1-CZ 3.94Å; I199-F228 HydrophobicContact CG2-CD2 3.62Å; I199-F228 HydrophobicContact CG2-CE2 3.82Å; C200-F228 PolarHBondContact O-N 2.94Å; M202-F228 PolarHBondContact N-O 3.03Å; V226-F228 HydrophobicContact CG1-CE2 4.3Å; F228-L240 HydrophobicContact CB-CD2 3.66Å; F228-L240 HydrophobicContact CG-CD2 4.21Å; F228-V244 HydrophobicContact CE1-CG2 3.97Å; F228-V244 HydrophobicContact CE2-CG2 4.18Å; F228-V244 HydrophobicContact CZ-CG2 3.74Å
229G88.2Confident80.9Confident13 Ų1373.9 Ų73.913%0.13440%0.401CS..  trans97.2-172.5-178.800000113.9M202M202-G229 WeakPolarHBondContact O-CA 3.38Å
230P88.3Confident82.6Confident38 Ų3867.7 Ų67.725%0.24737%0.372CS..  cis-68.3150.5-0.629-34.9000113.3P172 M202 K205 L208P172-P230 WeakPolarHBondContact CG-O 3.36Å; M202-P230 VanDerWaalsContact O-CA 3.31Å; M202-P230 WeakPolarHBondContact O-CA 3.36Å; K205-P230 HydrophobicContact CG-CB 4.41Å; K205-P230 HydrophobicContact CG-CG 4.12Å; L208-P230 HydrophobicContact CD1-CG 4.4Å
231W86.4Confident84.2Confident11 Ų1164.1 Ų64.14%0.04234%0.34CS..  trans-133.8147.817475.491.5000111.7F167 V171 V201 M202 R203 P235 V237 L240F167-W231 AromaticContact CE2-CD1 3.72Å; F167-W231 HydrophobicContact CE2-CG 4.38Å; F167-W231 AromaticContact CE2-NE1 3.53Å; V171-W231 HydrophobicContact CG2-CB 4.44Å; V171-W231 HydrophobicContact CG2-CG 4.36Å; V201-W231 HydrophobicContact CG1-CH2 3.29Å; V201-W231 HydrophobicContact CG1-CZ3 3.42Å; V201-W231 VanDerWaalsContact CG1-CZ3 3.42Å; M202-W231 WeakPolarHBondContact O-CZ3 3.34Å; R203-W231 HydrophobicContact CB-CH2 4.42Å; R203-W231 HydrophobicContact CG-CZ2 4.22Å; R203-W231 PolarHBondContact O-N 2.7Å; R203-W231 VanDerWaalsContact O-N 3.17Å; W231-P235 PolarHBondContact NE1-O 3.47Å; W231-V237 HydrophobicContact CH2-CG2 4.2Å; W231-L240 HydrophobicContact CE3-CD2 4.34Å; W231-L240 HydrophobicContact CH2-CB 4.41Å; W231-L240 HydrophobicContact CH2-CD2 3.67Å; W231-L240 HydrophobicContact CZ2-CD2 4.41Å; W231-L240 HydrophobicContact CZ3-CD2 3.64Å
232K81.3Confident85.9Confident205 Ų20565.6 Ų65.689%0.89134%0.336SS*.  trans-110.685.1176.5-167.1174.7-179.1178.10109.9
233A80Confident87.6Confident13 Ų1356.9 Ų56.911%0.10730%0.3CS..SBendtrans-147.8162.9175.400000111.5F167F167-A233 HydrophobicContact CD2-CB 4.16Å; F167-A233 HydrophobicContact CE2-CB 4.44Å
234E85.5Confident89.1Confident171 Ų17152.9 Ų52.980%0.79928%0.281SS*.SBendtrans-61.1-41.5176.8-71.2-60.6118.200114.1S236E234-S236 PolarHBondContact O-N 2.79Å
235P88.4Confident90.4Very high36 Ų3651.9 Ų51.923%0.23426%0.264CS..  trans-56.5140.7-178.3-28.237.8000113.4F167 W231 D239F167-P235 HydrophobicContact CB-CG 4.09Å; F167-P235 HydrophobicContact CD1-CB 4.02Å; F167-P235 HydrophobicContact CD1-CG 4.18Å; F167-P235 HydrophobicContact CD2-CB 3.78Å; F167-P235 HydrophobicContact CD2-CG 3.6Å; F167-P235 HydrophobicContact CE1-CB 3.93Å; F167-P235 HydrophobicContact CE2-CB 3.72Å; F167-P235 HydrophobicContact CE2-CG 4.07Å; F167-P235 HydrophobicContact CG-CB 3.94Å; F167-P235 HydrophobicContact CG-CG 3.68Å; F167-P235 HydrophobicContact CZ-CB 3.79Å; W231-P235 PolarHBondContact NE1-O 3.47Å; P235-D239 HydrophobicContact CB-CB 3.94Å
236S91.4Very high90.9Very high45 Ų4554.7 Ų54.732%0.31527%0.273SS..  trans-80.4171.6-175.873.70000112.8E234 R238 D239 L240E234-S236 PolarHBondContact O-N 2.79Å; S236-R238 PolarHBondContact O-N 3.4Å; S236-R238 PolarHBondContact OG-N 2.75Å; S236-D239 WeakPolarHBondContact CA-OD2 3.34Å; S236-D239 VanDerWaalsContact CB-OD2 3.28Å; S236-D239 WeakPolarHBondContact CB-OD2 3.43Å; S236-D239 PolarHBondContact N-OD2 3.01Å; S236-D239 PolarHBondContact O-N 2.82Å; S236-D239 VanDerWaalsContact OG-CG 3.27Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; S236-L240 PolarHBondContact O-N 3.29Å
237V91Very high91.2Very high42 Ų4255.5 Ų55.526%0.25528%0.277SS..Hα-helixtrans-56.4-40.1170.91710000110.9V201 W231 D239 L240 L241 H275V201-V237 HydrophobicContact CB-CG1 4.05Å; V201-V237 HydrophobicContact CG1-CB 4.28Å; V201-V237 HydrophobicContact CG1-CG1 3.85Å; V201-V237 HydrophobicContact CG1-CG2 3.92Å; V201-V237 HydrophobicContact CG2-CG1 4.4Å; W231-V237 HydrophobicContact CH2-CG2 4.2Å; V237-D239 PolarHBondContact O-N 2.75Å; V237-L240 PolarHBondContact O-N 3.18Å; V237-L241 HydrophobicContact CG1-CD1 4.03Å; V237-L241 HydrophobicContact CG1-CG 4.37Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.37Å; V237-H275 WeakPolarHBondContact CG1-NE2 3.22Å
238R92.2Very high91.6Very high188 Ų18854 Ų5471%0.70927%0.268SS*.Hα-helixtrans-62.4-44.9178-178.6175.3-71.3-178.1-2.5111.4S236 L240 L241 D242S236-R238 PolarHBondContact O-N 3.4Å; S236-R238 PolarHBondContact OG-N 2.75Å; R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.34Å; R238-L241 PolarHBondContact O-N 3.5Å; R238-L241 VanDerWaalsContact O-N 3.11Å; R238-D242 PolarHBondContact O-N 2.64Å
239D93.4Very high91.8Very high71 Ų7157.6 Ų57.638%0.3828%0.284SS..Hα-helixtrans-60.3-38.8179-56.9-53.6000111.4P235 S236 V237 C243P235-D239 HydrophobicContact CB-CB 3.94Å; S236-D239 WeakPolarHBondContact CA-OD2 3.34Å; S236-D239 VanDerWaalsContact CB-OD2 3.28Å; S236-D239 WeakPolarHBondContact CB-OD2 3.43Å; S236-D239 PolarHBondContact N-OD2 3.01Å; S236-D239 PolarHBondContact O-N 2.82Å; S236-D239 VanDerWaalsContact OG-CG 3.27Å; S236-D239 PolarHBondContact OG-N 3.11Å; S236-D239 PolarHBondContact OG-OD2 3.32Å; V237-D239 PolarHBondContact O-N 2.75Å; D239-C243 PolarHBondContact O-N 3.24Å; D239-C243 PolarHBondContact O-SG 3.08Å
240L95Very high92.1Very high0 Ų061.4 Ų61.40%031%0.309CS..Hα-helixtrans-65-46.4173.8-179.964000112.3F167 L168 V171 Y174 V201 F228 W231 S236 V237 R238 D242 C243 V244F167-L240 HydrophobicContact CE1-CB 4.21Å; F167-L240 HydrophobicContact CE1-CD1 4.2Å; F167-L240 HydrophobicContact CZ-CB 4.02Å; F167-L240 HydrophobicContact CZ-CD1 4.13Å; L168-L240 HydrophobicContact CD2-CD1 4.37Å; V171-L240 HydrophobicContact CG1-CD1 4.15Å; V171-L240 HydrophobicContact CG2-CD1 4.13Å; Y174-L240 HydrophobicContact CD2-CD1 4.02Å; Y174-L240 HydrophobicContact CE2-CD1 3.82Å; V201-L240 HydrophobicContact CG1-CD2 3.69Å; V201-L240 HydrophobicContact CG2-CD2 4.4Å; F228-L240 HydrophobicContact CB-CD2 3.66Å; F228-L240 HydrophobicContact CG-CD2 4.21Å; W231-L240 HydrophobicContact CE3-CD2 4.34Å; W231-L240 HydrophobicContact CH2-CB 4.41Å; W231-L240 HydrophobicContact CH2-CD2 3.67Å; W231-L240 HydrophobicContact CZ2-CD2 4.41Å; W231-L240 HydrophobicContact CZ3-CD2 3.64Å; S236-L240 PolarHBondContact O-N 3.29Å; V237-L240 PolarHBondContact O-N 3.18Å; R238-L240 VanDerWaalsContact C-N 3.26Å; R238-L240 PolarHBondContact O-N 3.34Å; L240-D242 VanDerWaalsContact C-N 3.28Å; L240-D242 PolarHBondContact O-N 2.72Å; L240-C243 WeakPolarHBondContact O-CB 3.45Å; L240-C243 PolarHBondContact O-N 3.27Å; L240-C243 VanDerWaalsContact O-N 3.16Å; L240-V244 HydrophobicContact CD1-CG2 4.46Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; L240-V244 WeakPolarHBondContact O-CG2 2.99Å; L240-V244 PolarHBondContact O-N 3.11Å
241L95.4Very high92.5Very high17 Ų1765.4 Ų65.49%0.08932%0.319CS..Hα-helixtrans-63.4-37.7180-66.4174.1000111.4I199 V201 V237 R238 V244 K245 I257 H275I199-L241 HydrophobicContact CG2-CD2 4.44Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å; V237-L241 HydrophobicContact CG1-CD1 4.03Å; V237-L241 HydrophobicContact CG1-CG 4.37Å; V237-L241 WeakPolarHBondContact O-CG 3.3Å; V237-L241 PolarHBondContact O-N 3.37Å; R238-L241 PolarHBondContact O-N 3.5Å; R238-L241 VanDerWaalsContact O-N 3.11Å; L241-V244 PolarHBondContact O-N 2.86Å; L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.86Å; L241-I257 HydrophobicContact CB-CD1 4.2Å; L241-I257 HydrophobicContact CB-CG2 4.42Å; L241-I257 HydrophobicContact CD1-CG2 4.08Å; L241-I257 HydrophobicContact CD2-CD1 4.39Å; L241-I257 HydrophobicContact CD2-CG2 4.05Å; L241-I257 HydrophobicContact CG-CG2 4.4Å; L241-I257 WeakPolarHBondContact O-CD1 3.41Å; L241-H275 HydrophobicContact CD1-CB 4.42Å; L241-H275 HydrophobicContact CD2-CB 4.32Å
242D95.2Very high92.9Very high80 Ų8068.2 Ų68.243%0.42835%0.352SS..Hα-helixtrans-63.6-42.3173.4-70.6-23.8000110.8R238 L240 V244 K245 M246R238-D242 PolarHBondContact O-N 2.64Å; L240-D242 VanDerWaalsContact C-N 3.28Å; L240-D242 PolarHBondContact O-N 2.72Å; D242-V244 PolarHBondContact O-N 2.89Å; D242-K245 PolarHBondContact O-N 2.93Å; D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 VanDerWaalsContact O-CG 3.22Å; D242-M246 WeakPolarHBondContact O-CG 3.32Å; D242-M246 PolarHBondContact O-N 2.94Å
243C95.7Very high93.7Very high9 Ų960.1 Ų60.16%0.06132%0.316CS..Hα-helixtrans-60.1-46.4173.1-670000112.4R164 L168 Y174 D239 L240 K245 M246 D247R164-C243 VanDerWaalsContact CG-SG 3.53Å; L168-C243 HydrophobicContact CD2-CB 3.95Å; Y174-C243 PolarHBondContact OH-O 3.12Å; Y174-C243 VanDerWaalsContact OH-O 3.1Å; D239-C243 PolarHBondContact O-N 3.24Å; D239-C243 PolarHBondContact O-SG 3.08Å; L240-C243 WeakPolarHBondContact O-CB 3.45Å; L240-C243 PolarHBondContact O-N 3.27Å; L240-C243 VanDerWaalsContact O-N 3.16Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 2.9Å; C243-M246 PolarHBondContact O-N 2.82Å; C243-D247 WeakPolarHBondContact O-CB 3.39Å; C243-D247 PolarHBondContact O-N 3.49Å
244V96.9Very high94.4Very high0 Ų064.3 Ų64.30%034%0.336CS..Hα-helixtrans-59.4-45.4178.1168.50000110.1Y174 I178 L181 I199 F228 L240 L241 D242 D247 I248 I257Y174-V244 HydrophobicContact CE2-CG2 3.82Å; Y174-V244 PolarHBondContact OH-N 3.39Å; I178-V244 HydrophobicContact CD1-CB 4.11Å; I178-V244 HydrophobicContact CD1-CG1 3.79Å; I178-V244 HydrophobicContact CD1-CG2 4.05Å; L181-V244 HydrophobicContact CD1-CG1 4.08Å; I199-V244 HydrophobicContact CD1-CG1 4.19Å; F228-V244 HydrophobicContact CE1-CG2 3.97Å; F228-V244 HydrophobicContact CE2-CG2 4.18Å; F228-V244 HydrophobicContact CZ-CG2 3.74Å; L240-V244 HydrophobicContact CD1-CG2 4.46Å; L240-V244 HydrophobicContact CG-CG2 4.47Å; L240-V244 WeakPolarHBondContact O-CG2 2.99Å; L240-V244 PolarHBondContact O-N 3.11Å; L241-V244 PolarHBondContact O-N 2.86Å; D242-V244 PolarHBondContact O-N 2.89Å; V244-D247 PolarHBondContact O-N 2.82Å; V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 WeakPolarHBondContact O-CB 3.36Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.28Å; V244-I248 PolarHBondContact O-N 2.97Å; V244-I248 VanDerWaalsContact O-N 3.08Å; V244-I257 HydrophobicContact CG1-CD1 4.37Å
245K97.3Very high95Very high75 Ų7556.3 Ų56.333%0.32630%0.299SS..Hα-helixtrans-60.4-52.5177-175.5-179.4173.5-172.70111.2L241 D242 C243 D247 I248 E249 V255 I257L241-K245 WeakPolarHBondContact O-CB 3.45Å; L241-K245 PolarHBondContact O-N 2.86Å; D242-K245 PolarHBondContact O-N 2.93Å; C243-K245 VanDerWaalsContact C-N 3.31Å; C243-K245 PolarHBondContact O-N 2.9Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.3Å; K245-I248 PolarHBondContact O-N 2.92Å; K245-E249 VanDerWaalsContact CE-CD 3.47Å; K245-E249 WeakPolarHBondContact CE-OE1 3.34Å; K245-E249 HydrophobicContact CG-CG 4.3Å; K245-E249 IonicContact NZ-OE1 3.29Å; K245-E249 WeakPolarHBondContact O-CB 3.46Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 3.35Å; K245-V255 HydrophobicContact CG-CG2 4.05Å; K245-I257 HydrophobicContact CB-CD1 4.04Å
246M95.1Very high95.4Very high94 Ų9457.3 Ų57.346%0.46331%0.307SS..Hα-helixtrans-57-44179.1-71.9171.965.600112.3D242 C243 I248 E249 S250D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 VanDerWaalsContact O-CG 3.22Å; D242-M246 WeakPolarHBondContact O-CG 3.32Å; D242-M246 PolarHBondContact O-N 2.94Å; C243-M246 PolarHBondContact O-N 2.82Å; M246-I248 VanDerWaalsContact C-N 3.32Å; M246-I248 PolarHBondContact O-N 2.97Å; M246-E249 PolarHBondContact O-N 2.8Å; M246-S250 WeakPolarHBondContact O-CB 3.32Å; M246-S250 PolarHBondContact O-N 3.17Å; M246-S250 PolarHBondContact O-OG 3.11Å
247D96.7Very high95.6Very high27 Ų2757.2 Ų57.214%0.14430%0.303CS..Hα-helixtrans-72.9-24.7-178.7-73.8-26000113.3R164 Y174 I178 C243 V244 K245 S250 R251R164-D247 IonicContact CZ-OD1 3.19Å; R164-D247 VanDerWaalsContact CZ-OD1 3.32Å; R164-D247 IonicContact CZ-OD2 3.32Å; R164-D247 IonicContact NH1-OD1 2.87Å; R164-D247 PolarHBondContact NH1-OD1 2.88Å; R164-D247 IonicContact NH1-OD2 2.94Å; R164-D247 PolarHBondContact NH1-OD2 3.4Å; R164-D247 IonicContact NH2-OD1 2.71Å; R164-D247 PolarHBondContact NH2-OD1 3.49Å; R164-D247 IonicContact NH2-OD2 2.85Å; Y174-D247 WeakPolarHBondContact CE1-OD2 3.48Å; Y174-D247 VanDerWaalsContact CZ-OD2 3.26Å; Y174-D247 PolarHBondContact OH-OD2 3.01Å; I178-D247 HydrophobicContact CD1-CB 4.47Å; C243-D247 WeakPolarHBondContact O-CB 3.39Å; C243-D247 PolarHBondContact O-N 3.49Å; V244-D247 PolarHBondContact O-N 2.82Å; K245-D247 VanDerWaalsContact C-N 3.34Å; K245-D247 PolarHBondContact O-N 3.3Å; D247-S250 WeakPolarHBondContact CA-OG 3.47Å; D247-S250 PolarHBondContact O-OG 3.11Å; D247-R251 WeakPolarHBondContact O-CG 3.44Å
248I97.4Very high95.7Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-79.1-45171.6-68.2169.3000110.1I178 L181 V244 K245 M246 S250 R251 Y253 V255 L277 F279I178-I248 HydrophobicContact CD1-CD1 4.4Å; I178-I248 HydrophobicContact CD1-CG1 4.25Å; I178-I248 HydrophobicContact CG2-CG1 4.27Å; L181-I248 HydrophobicContact CD1-CD1 4.21Å; V244-I248 HydrophobicContact CG1-CD1 3.76Å; V244-I248 WeakPolarHBondContact O-CB 3.36Å; V244-I248 VanDerWaalsContact O-CG1 3.25Å; V244-I248 WeakPolarHBondContact O-CG1 3.28Å; V244-I248 PolarHBondContact O-N 2.97Å; V244-I248 VanDerWaalsContact O-N 3.08Å; K245-I248 PolarHBondContact O-N 2.92Å; M246-I248 VanDerWaalsContact C-N 3.32Å; M246-I248 PolarHBondContact O-N 2.97Å; I248-S250 PolarHBondContact O-N 3.41Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.34Å; I248-Y253 HydrophobicContact CG2-CD2 3.95Å; I248-Y253 HydrophobicContact CG2-CG 4.15Å; I248-Y253 WeakPolarHBondContact O-CD2 3.33Å; I248-V255 HydrophobicContact CB-CG2 4.22Å; I248-V255 HydrophobicContact CG2-CB 4.4Å; I248-V255 HydrophobicContact CG2-CG1 3.64Å; I248-V255 HydrophobicContact CG2-CG2 3.84Å; I248-L277 HydrophobicContact CD1-CD1 4.45Å; I248-L277 HydrophobicContact CD1-CD2 3.76Å; I248-F279 HydrophobicContact CD1-CZ 4.14Å; I248-F279 HydrophobicContact CG2-CE1 3.6Å; I248-F279 HydrophobicContact CG2-CZ 3.9Å
249E97.1Very high95.5Very high75 Ų7554 Ų5435%0.3531%0.305SS..Hα-helixtrans-64.3-37.2178.9-72.4-179.7156.800112.5K245 M246 R251 G252 Y253 V255K245-E249 VanDerWaalsContact CE-CD 3.47Å; K245-E249 WeakPolarHBondContact CE-OE1 3.34Å; K245-E249 HydrophobicContact CG-CG 4.3Å; K245-E249 IonicContact NZ-OE1 3.29Å; K245-E249 WeakPolarHBondContact O-CB 3.46Å; K245-E249 WeakPolarHBondContact O-CG 3.24Å; K245-E249 PolarHBondContact O-N 3.35Å; M246-E249 PolarHBondContact O-N 2.8Å; E249-R251 PolarHBondContact O-N 3.42Å; E249-R251 VanDerWaalsContact O-N 3.1Å; E249-G252 WeakPolarHBondContact O-CA 3.38Å; E249-G252 PolarHBondContact O-N 2.56Å; E249-Y253 WeakPolarHBondContact CA-O 3.27Å; E249-V255 HydrophobicContact CG-CG2 3.85Å
250S94.5Very high95Very high92 Ų9253.3 Ų53.364%0.64330%0.297SS*.THydrogen-bonded Turntrans-61.3-18.6173.865.50000113.6M246 D247 I248 G252M246-S250 WeakPolarHBondContact O-CB 3.32Å; M246-S250 PolarHBondContact O-N 3.17Å; M246-S250 PolarHBondContact O-OG 3.11Å; D247-S250 WeakPolarHBondContact CA-OG 3.47Å; D247-S250 PolarHBondContact O-OG 3.11Å; I248-S250 PolarHBondContact O-N 3.41Å; S250-G252 VanDerWaalsContact C-N 3.33Å
251R95.9Very high94Very high122 Ų12258.9 Ų58.946%0.4633%0.331SS..THydrogen-bonded Turntrans-91.47172.8-60.8175-173.4-155.32.1113.1I182 D247 I248 E249 Y253I182-R251 VanDerWaalsContact CD1-CD 3.42Å; D247-R251 WeakPolarHBondContact O-CG 3.44Å; I248-R251 WeakPolarHBondContact O-CB 3.32Å; I248-R251 PolarHBondContact O-N 3.34Å; E249-R251 PolarHBondContact O-N 3.42Å; E249-R251 VanDerWaalsContact O-N 3.1Å; R251-Y253 HydrophobicContact CB-CD2 3.83Å; R251-Y253 HydrophobicContact CB-CE2 3.67Å
252G95.8Very high92.7Very high71 Ų7159.2 Ų59.273%0.73233%0.334SS*.THydrogen-bonded Turntrans86.815.117500000115.4E249 S250E249-G252 WeakPolarHBondContact O-CA 3.38Å; E249-G252 PolarHBondContact O-N 2.56Å; S250-G252 VanDerWaalsContact C-N 3.33Å
253Y96.9Very high91Very high35 Ų3564.9 Ų64.914%0.13736%0.358CS..  trans-92.6149.2176-58.6-81.6000111.7I182 R186 I248 E249 R251 F279 W281I182-Y253 HydrophobicContact CD1-CD2 4.44Å; I182-Y253 HydrophobicContact CD1-CE2 3.92Å; I182-Y253 HydrophobicContact CG1-CD2 4.47Å; I182-Y253 HydrophobicContact CG1-CE2 4.05Å; I182-Y253 HydrophobicContact CG2-CE1 4.45Å; I182-Y253 HydrophobicContact CG2-CE2 3.98Å; I182-Y253 WeakPolarHBondContact CG2-OH 3.49Å; R186-Y253 PolarHBondContact NE-OH 2.84Å; R186-Y253 PolarHBondContact NH2-OH 3.01Å; I248-Y253 HydrophobicContact CG2-CD2 3.95Å; I248-Y253 HydrophobicContact CG2-CG 4.15Å; I248-Y253 WeakPolarHBondContact O-CD2 3.33Å; E249-Y253 WeakPolarHBondContact CA-O 3.27Å; R251-Y253 HydrophobicContact CB-CD2 3.83Å; R251-Y253 HydrophobicContact CB-CE2 3.67Å; Y253-F279 HydrophobicContact CD1-CD1 4.06Å; Y253-F279 HydrophobicContact CD1-CE1 4.1Å; Y253-F279 HydrophobicContact CD2-CE1 4.45Å; Y253-F279 HydrophobicContact CG-CD1 4.16Å; Y253-F279 AromaticContact CG-CE1 3.92Å; Y253-F279 HydrophobicContact CG-CE1 3.92Å; Y253-W281 HydrophobicContact CD1-CH2 4.03Å; Y253-W281 AromaticContact CD1-CZ3 3.96Å; Y253-W281 HydrophobicContact CD1-CZ3 3.96Å; Y253-W281 AromaticContact CE1-CH2 3.81Å; Y253-W281 HydrophobicContact CE1-CH2 3.81Å; Y253-W281 AromaticContact CE1-CZ3 3.74Å; Y253-W281 HydrophobicContact CE1-CZ3 3.74Å
254N96.4Very high89.2Confident100 Ų10075.8 Ų75.854%0.53540%0.398SS..EExtended strand (participates in β ladder)trans-98.4117.5169.9-174.5-15.3000109.6F279 T280N254-F279 WeakPolarHBondContact O-CA 3.27Å; N254-T280 PolarHBondContact O-N 3.42Å
255V97.4Very high87Confident4 Ų479.3 Ų79.32%0.02442%0.422CS..EExtended strand (participates in β ladder)trans-135.7148.3-175.6-71.20000113.8K245 I248 E249 L277 T278 F279K245-V255 HydrophobicContact CG-CG2 4.05Å; I248-V255 HydrophobicContact CB-CG2 4.22Å; I248-V255 HydrophobicContact CG2-CB 4.4Å; I248-V255 HydrophobicContact CG2-CG1 3.64Å; I248-V255 HydrophobicContact CG2-CG2 3.84Å; E249-V255 HydrophobicContact CG-CG2 3.85Å; V255-L277 HydrophobicContact CB-CD1 3.8Å; V255-L277 HydrophobicContact CG1-CD1 4.04Å; V255-L277 HydrophobicContact CG2-CD1 4.37Å; V255-T278 VanDerWaalsContact CA-O 3.25Å; V255-T278 WeakPolarHBondContact CA-O 3.5Å; V255-F279 HydrophobicContact CG1-CB 4.34Å; V255-F279 HydrophobicContact CG1-CD1 3.41Å; V255-F279 VanDerWaalsContact CG1-CD1 3.41Å; V255-F279 HydrophobicContact CG1-CD2 3.95Å; V255-F279 HydrophobicContact CG1-CE1 3.55Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; V255-F279 HydrophobicContact CG1-CG 3.62Å; V255-F279 HydrophobicContact CG1-CZ 3.89Å
256S97.1Very high84.6Confident57 Ų5785.7 Ų85.740%0.39945%0.451SS..EExtended strand (participates in β ladder)trans-127.4142.6168.562.10000110.8L277 T278S256-L277 WeakPolarHBondContact O-CA 3.08Å; S256-T278 PolarHBondContact N-O 3.43Å; S256-T278 PolarHBondContact O-N 2.9Å
257I96Very high82.4Confident43 Ų4388.6 Ų88.622%0.22147%0.467CS..EExtended strand (participates in β ladder)trans-117.7125.8176.3-58.8176.3000108.4L241 V244 K245 H275 K276 L277L241-I257 HydrophobicContact CB-CD1 4.2Å; L241-I257 HydrophobicContact CB-CG2 4.42Å; L241-I257 HydrophobicContact CD1-CG2 4.08Å; L241-I257 HydrophobicContact CD2-CD1 4.39Å; L241-I257 HydrophobicContact CD2-CG2 4.05Å; L241-I257 HydrophobicContact CG-CG2 4.4Å; L241-I257 WeakPolarHBondContact O-CD1 3.41Å; V244-I257 HydrophobicContact CG1-CD1 4.37Å; K245-I257 HydrophobicContact CB-CD1 4.04Å; I257-H275 HydrophobicContact CG2-CB 3.92Å; I257-K276 WeakPolarHBondContact CA-O 3.32Å; I257-L277 HydrophobicContact CD1-CD1 4.05Å; I257-L277 HydrophobicContact CG1-CD1 3.5Å
258E92.8Very high80.1Confident94 Ų9493.2 Ų93.244%0.43950%0.501SS..EExtended strand (participates in β ladder)trans-128.5154176.761.4-172.3176.600110.7H275 K276E258-H275 CarbonylContact O-C 3.26Å; E258-H275 VanDerWaalsContact O-CA 3.25Å; E258-H275 WeakPolarHBondContact O-CA 3.36Å; E258-K276 HydrophobicContact CG-CB 3.85Å; E258-K276 HydrophobicContact CG-CD 4.47Å; E258-K276 HydrophobicContact CG-CG 4.44Å; E258-K276 PolarHBondContact N-O 2.99Å; E258-K276 PolarHBondContact O-N 3.15Å; E258-K276 WeakPolarHBondContact OE1-CD 3.09Å; E258-K276 WeakPolarHBondContact OE1-CE 3.44Å; E258-K276 IonicContact OE1-NZ 2.79Å; E258-K276 PolarHBondContact OE1-NZ 3.01Å
259A88.3Confident77.8Confident69 Ų69102.2 Ų102.257%0.5754%0.541SS*.EExtended strand (participates in β ladder)trans-65138.7173.300000109.9
260Y82.8Confident75.7Confident56 Ų56101.4 Ų101.422%0.2254%0.543CS..  trans-79.9125177.2179.1-100.2000110.4L198 E223 P262 F274L198-Y260 HydrophobicContact CD1-CE2 4.33Å; L198-Y260 HydrophobicContact CD2-CD2 3.45Å; L198-Y260 VanDerWaalsContact CD2-CD2 3.45Å; L198-Y260 HydrophobicContact CD2-CE2 3.84Å; L198-Y260 HydrophobicContact CD2-CG 4.08Å; E223-Y260 PolarHBondContact OE2-OH 2.94Å; Y260-P262 HydrophobicContact CD1-CG 4.21Å; Y260-P262 HydrophobicContact CE1-CB 4.12Å; Y260-P262 HydrophobicContact CE1-CG 3.87Å; Y260-F274 VanDerWaalsContact CB-O 3.27Å; Y260-F274 WeakPolarHBondContact CB-O 3.34Å; Y260-F274 HydrophobicContact CD1-CB 4.07Å; Y260-F274 HydrophobicContact CG-CB 4.13Å; Y260-F274 PolarHBondContact N-O 3.39Å
261V73.7Confident74.1Confident117 Ų117100.7 Ų100.771%0.70953%0.527SS*.  trans-114.3112.5175.9-176.50000108.6
262P67.4Low72.9Confident24 Ų24100.2 Ų100.216%0.15653%0.533CS..  trans-68.1137.7178.1-9.920.2000111.8Y260 R264 S265 Y271Y260-P262 HydrophobicContact CD1-CG 4.21Å; Y260-P262 HydrophobicContact CE1-CB 4.12Å; Y260-P262 HydrophobicContact CE1-CG 3.87Å; P262-R264 PolarHBondContact O-N 3.02Å; P262-R264 VanDerWaalsContact O-N 3.11Å; P262-S265 PolarHBondContact O-OG 3.49Å; P262-S265 VanDerWaalsContact O-OG 3.11Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CD2 3.34Å; P262-Y271 HydrophobicContact CG-CE2 3.79Å; P262-Y271 HydrophobicContact CG-CG 3.66Å
263E59.5Low72.2Confident199 Ų19999.2 Ų99.293%0.9351%0.509SS*.SBendtrans-65-13.8179.4-67.2-175166.900114.1
264R59Low71.7Confident237 Ų23797.5 Ų97.589%0.89450%0.502SS*.  trans-130.281-179.3-66.5-173.2-179.6-174.21.1111.9P262P262-R264 PolarHBondContact O-N 3.02Å; P262-R264 VanDerWaalsContact O-N 3.11Å
265S50.1Low71.5Confident74 Ų7493.7 Ų93.752%0.51748%0.481SS..  trans-112.492.9-179.2-540000111.8P262P262-S265 PolarHBondContact O-OG 3.49Å; P262-S265 VanDerWaalsContact O-OG 3.11Å
266F47.8Very low71.3Confident209 Ų20996.5 Ų96.592%0.91749%0.493SS*.  trans-97-2.9165.7-85.5-82.1000113.2
267L48.3Very low71.2Confident156 Ų15693.8 Ų93.882%0.81747%0.474SS*.SBendtrans-124.5118.1179.6-66.8173.2000110.1K269L267-K269 VanDerWaalsContact C-N 3.29Å; L267-K269 PolarHBondContact O-N 3.05Å
268S47.8Very low71.2Confident123 Ų12392.2 Ų92.286%0.8647%0.466SS*.  trans-84.529.8-167.352.40000115.1
269K50.3Low71.4Confident190 Ų19087.8 Ų87.883%0.82645%0.446SS*.SBendtrans-120.6106.7169.9-73.9-173.1177.8-177.80108.2L267L267-K269 VanDerWaalsContact C-N 3.29Å; L267-K269 PolarHBondContact O-N 3.05Å
270S52.1Low71.8Confident57 Ų5786.3 Ų86.340%0.39943%0.43SS..  trans-85.4147.9-140.536.40000113.5D272S270-D272 WeakPolarHBondContact CB-OD1 3.48Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.44Å; S270-D272 PolarHBondContact OG-OD1 2.8Å; S270-D272 PolarHBondContact OG-OD2 2.8Å
271Y61.4Low72.4Confident78 Ų7887.1 Ų87.131%0.30643%0.432SS..  trans-69.835.6168.7-71.2-101.8000111.7A214 P262 F273 F274A214-Y271 HydrophobicContact CB-CD1 4.23Å; A214-Y271 HydrophobicContact CB-CE1 3.97Å; P262-Y271 HydrophobicContact CG-CD1 4.37Å; P262-Y271 HydrophobicContact CG-CD2 3.34Å; P262-Y271 HydrophobicContact CG-CE2 3.79Å; P262-Y271 HydrophobicContact CG-CG 3.66Å; Y271-F273 PolarHBondContact O-N 3.37Å; Y271-F274 AromaticContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CE2 4.09Å; Y271-F274 PolarHBondContact O-N 3.05Å
272D70.6Confident73Confident111 Ų11190 Ų9059%0.59443%0.431SS*.THydrogen-bonded Turntrans-65.7-6.8-176-70.1-15.7000113S270S270-D272 WeakPolarHBondContact CB-OD1 3.48Å; S270-D272 WeakPolarHBondContact CB-OD2 3.47Å; S270-D272 PolarHBondContact O-N 3.44Å; S270-D272 PolarHBondContact OG-OD1 2.8Å; S270-D272 PolarHBondContact OG-OD2 2.8Å
273F79.9Confident73.3Confident50 Ų5093.3 Ų93.322%0.21944%0.444CS..THydrogen-bonded Turntrans-81.8-17.4173.5-49.6-76.4000112.8C200 V201 D207 F210 Y271C200-F273 CarbonylContact C-O 3.6Å; C200-F273 WeakPolarHBondContact CA-O 3.31Å; V201-F273 PolarHBondContact N-O 2.95Å; D207-F273 HydrophobicContact CB-CD1 4.41Å; D207-F273 HydrophobicContact CB-CE1 3.83Å; D207-F273 HydrophobicContact CB-CZ 4.38Å; F210-F273 HydrophobicContact CB-CE2 4.27Å; Y271-F273 PolarHBondContact O-N 3.37Å
274F87.2Confident74Confident0 Ų087.7 Ų87.70%042%0.419CS..EExtended strand (participates in β ladder)trans-102.5134.4-175.8-66.8-85.3000111.4I199 C200 A214 L218 A225 Y260 Y271I199-F274 CarbonylContact O-C 3.54Å; I199-F274 WeakPolarHBondContact O-CA 3.22Å; C200-F274 HydrophobicContact CB-CD1 4.04Å; C200-F274 HydrophobicContact CB-CE1 3.76Å; C200-F274 HydrophobicContact CB-CZ 4.41Å; A214-F274 HydrophobicContact CB-CE2 3.49Å; A214-F274 VanDerWaalsContact CB-CE2 3.49Å; A214-F274 HydrophobicContact CB-CZ 3.89Å; L218-F274 HydrophobicContact CD1-CE1 4.07Å; L218-F274 HydrophobicContact CD1-CE2 4.3Å; L218-F274 HydrophobicContact CD1-CZ 3.9Å; L218-F274 HydrophobicContact CD2-CD1 4.01Å; L218-F274 HydrophobicContact CD2-CE1 3.59Å; L218-F274 HydrophobicContact CD2-CZ 4.23Å; A225-F274 HydrophobicContact CB-CE1 4.14Å; Y260-F274 VanDerWaalsContact CB-O 3.27Å; Y260-F274 WeakPolarHBondContact CB-O 3.34Å; Y260-F274 HydrophobicContact CD1-CB 4.07Å; Y260-F274 HydrophobicContact CG-CB 4.13Å; Y260-F274 PolarHBondContact N-O 3.39Å; Y271-F274 AromaticContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CD2 3.9Å; Y271-F274 HydrophobicContact CD1-CE2 4.09Å; Y271-F274 PolarHBondContact O-N 3.05Å
275H91.5Very high74.8Confident20 Ų2079.4 Ų79.49%0.09339%0.392CS..EExtended strand (participates in β ladder)trans-129.9144.6176.3-58-83.8000109L198 I199 V237 L241 I257 E258L198-H275 CarbonylContact C-O 3.52Å; L198-H275 WeakPolarHBondContact CA-O 3.49Å; I199-H275 HydrophobicContact CB-CB 4.42Å; I199-H275 PolarHBondContact N-O 3.22Å; I199-H275 PolarHBondContact O-N 2.77Å; V237-H275 WeakPolarHBondContact CG1-NE2 3.22Å; L241-H275 HydrophobicContact CD1-CB 4.42Å; L241-H275 HydrophobicContact CD2-CB 4.32Å; I257-H275 HydrophobicContact CG2-CB 3.92Å; E258-H275 CarbonylContact O-C 3.26Å; E258-H275 VanDerWaalsContact O-CA 3.25Å; E258-H275 WeakPolarHBondContact O-CA 3.36Å
276K93Very high76.3Confident62 Ų6279.7 Ų79.727%0.2739%0.385SS..EExtended strand (participates in β ladder)trans-99.7113.2178.8-176.8174.7155.6-140.70109.2T196 L198 I257 E258T196-K276 HydrophobicContact CG2-CD 3.57Å; T196-K276 HydrophobicContact CG2-CG 3.33Å; L198-K276 HydrophobicContact CD2-CB 4.36Å; I257-K276 WeakPolarHBondContact CA-O 3.32Å; E258-K276 HydrophobicContact CG-CB 3.85Å; E258-K276 HydrophobicContact CG-CD 4.47Å; E258-K276 HydrophobicContact CG-CG 4.44Å; E258-K276 PolarHBondContact N-O 2.99Å; E258-K276 PolarHBondContact O-N 3.15Å; E258-K276 WeakPolarHBondContact OE1-CD 3.09Å; E258-K276 WeakPolarHBondContact OE1-CE 3.44Å; E258-K276 IonicContact OE1-NZ 2.79Å; E258-K276 PolarHBondContact OE1-NZ 3.01Å
277L95.9Very high78.1Confident0 Ų071.6 Ų71.60%035%0.352CS..EExtended strand (participates in β ladder)trans-92.2118.4171.8175.669.3000109L181 T196 I197 I199 I248 V255 S256 I257 F279L181-L277 HydrophobicContact CB-CD2 4.36Å; L181-L277 HydrophobicContact CD1-CD2 3.97Å; L181-L277 HydrophobicContact CD2-CD2 4.02Å; L181-L277 HydrophobicContact CG-CD2 4.35Å; T196-L277 WeakPolarHBondContact CA-O 3.28Å; I197-L277 PolarHBondContact N-O 3.28Å; I197-L277 PolarHBondContact O-N 2.85Å; I199-L277 HydrophobicContact CD1-CB 3.67Å; I199-L277 HydrophobicContact CD1-CD2 4.02Å; I199-L277 HydrophobicContact CD1-CG 4.31Å; I199-L277 HydrophobicContact CG1-CB 3.96Å; I248-L277 HydrophobicContact CD1-CD1 4.45Å; I248-L277 HydrophobicContact CD1-CD2 3.76Å; V255-L277 HydrophobicContact CB-CD1 3.8Å; V255-L277 HydrophobicContact CG1-CD1 4.04Å; V255-L277 HydrophobicContact CG2-CD1 4.37Å; S256-L277 WeakPolarHBondContact O-CA 3.08Å; I257-L277 HydrophobicContact CD1-CD1 4.05Å; I257-L277 HydrophobicContact CG1-CD1 3.5Å; L277-F279 HydrophobicContact CD2-CD2 4.29Å; L277-F279 HydrophobicContact CD2-CE2 3.39Å; L277-F279 HydrophobicContact CD2-CZ 3.96Å; L277-F279 HydrophobicContact CG-CD2 4.2Å; L277-F279 HydrophobicContact CG-CE2 3.77Å
278T96.4Very high80.1Confident10 Ų1066 Ų666%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-113119.1-179.8-54.90000110.1R194 S195 V255 S256R194-T278 HydrophobicContact CB-CG2 4.14Å; R194-T278 HydrophobicContact CG-CG2 4.33Å; S195-T278 CarbonylContact O-C 3.57Å; S195-T278 WeakPolarHBondContact O-CA 3.41Å; V255-T278 VanDerWaalsContact CA-O 3.25Å; V255-T278 WeakPolarHBondContact CA-O 3.5Å; S256-T278 PolarHBondContact N-O 3.43Å; S256-T278 PolarHBondContact O-N 2.9Å
279F97.3Very high82.4Confident1 Ų161.9 Ų61.90%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-87.2141.7169.5-71.6-106.4000110.2I182 A185 R194 S195 I197 I248 Y253 N254 V255 L277 W281I182-F279 HydrophobicContact CG1-CE1 4.47Å; I182-F279 HydrophobicContact CG1-CZ 4.38Å; A185-F279 HydrophobicContact CB-CB 4.38Å; A185-F279 HydrophobicContact CB-CD1 3.91Å; A185-F279 HydrophobicContact CB-CD2 3.39Å; A185-F279 HydrophobicContact CB-CE1 3.96Å; A185-F279 HydrophobicContact CB-CE2 3.43Å; A185-F279 VanDerWaalsContact CB-CE2 3.43Å; A185-F279 HydrophobicContact CB-CG 3.64Å; A185-F279 HydrophobicContact CB-CZ 3.73Å; R194-F279 WeakPolarHBondContact CA-O 3.45Å; S195-F279 PolarHBondContact N-O 3.37Å; S195-F279 VanDerWaalsContact N-O 3.16Å; S195-F279 PolarHBondContact O-N 3.21Å; I197-F279 HydrophobicContact CD1-CD2 4.46Å; I197-F279 HydrophobicContact CD1-CE2 4.05Å; I248-F279 HydrophobicContact CD1-CZ 4.14Å; I248-F279 HydrophobicContact CG2-CE1 3.6Å; I248-F279 HydrophobicContact CG2-CZ 3.9Å; Y253-F279 HydrophobicContact CD1-CD1 4.06Å; Y253-F279 HydrophobicContact CD1-CE1 4.1Å; Y253-F279 HydrophobicContact CD2-CE1 4.45Å; Y253-F279 HydrophobicContact CG-CD1 4.16Å; Y253-F279 AromaticContact CG-CE1 3.92Å; Y253-F279 HydrophobicContact CG-CE1 3.92Å; N254-F279 WeakPolarHBondContact O-CA 3.27Å; V255-F279 HydrophobicContact CG1-CB 4.34Å; V255-F279 HydrophobicContact CG1-CD1 3.41Å; V255-F279 VanDerWaalsContact CG1-CD1 3.41Å; V255-F279 HydrophobicContact CG1-CD2 3.95Å; V255-F279 HydrophobicContact CG1-CE1 3.55Å; V255-F279 HydrophobicContact CG1-CE2 4.07Å; V255-F279 HydrophobicContact CG1-CG 3.62Å; V255-F279 HydrophobicContact CG1-CZ 3.89Å; L277-F279 HydrophobicContact CD2-CD2 4.29Å; L277-F279 HydrophobicContact CD2-CE2 3.39Å; L277-F279 HydrophobicContact CD2-CZ 3.96Å; L277-F279 HydrophobicContact CG-CD2 4.2Å; L277-F279 HydrophobicContact CG-CE2 3.77Å; F279-W281 HydrophobicContact CB-CZ2 4.07Å; F279-W281 HydrophobicContact CD1-CH2 4.5Å; F279-W281 HydrophobicContact CD1-CZ2 4.22Å; F279-W281 HydrophobicContact CG-CZ2 4.31Å
280T96.8Very high84.9Confident38 Ų3852.1 Ų52.123%0.23324%0.24CC..EExtended strand (participates in β ladder)trans-119.9125.1170.5-580000109.7N254N254-T280 PolarHBondContact O-N 3.42Å
281W93.6Very high87.6Confident73 Ų7351.7 Ų51.728%0.27723%0.227SC..  trans-100.8-50.2-165.1-65.5101.7000116A185 R186 A189 R193 S195 Y253 F279A185-W281 HydrophobicContact CB-CH2 4.36Å; A185-W281 HydrophobicContact CB-CZ2 3.76Å; A185-W281 VanDerWaalsContact O-CZ2 3.23Å; A185-W281 WeakPolarHBondContact O-CZ2 3.38Å; R186-W281 HydrophobicContact CB-CH2 4.25Å; R186-W281 HydrophobicContact CG-CH2 3.54Å; R186-W281 HydrophobicContact CG-CZ2 4.47Å; R186-W281 HydrophobicContact CG-CZ3 4.11Å; A189-W281 HydrophobicContact CB-CD2 3.56Å; A189-W281 HydrophobicContact CB-CE3 4.13Å; A189-W281 HydrophobicContact CB-CG 3.91Å; A189-W281 HydrophobicContact CB-CH2 4.28Å; A189-W281 HydrophobicContact CB-CZ2 3.71Å; A189-W281 HydrophobicContact CB-CZ3 4.45Å; R193-W281 PolarHBondContact O-N 3.31Å; S195-W281 PolarHBondContact OG-NE1 3.38Å; Y253-W281 HydrophobicContact CD1-CH2 4.03Å; Y253-W281 AromaticContact CD1-CZ3 3.96Å; Y253-W281 HydrophobicContact CD1-CZ3 3.96Å; Y253-W281 AromaticContact CE1-CH2 3.81Å; Y253-W281 HydrophobicContact CE1-CH2 3.81Å; Y253-W281 AromaticContact CE1-CZ3 3.74Å; Y253-W281 HydrophobicContact CE1-CZ3 3.74Å; F279-W281 HydrophobicContact CB-CZ2 4.07Å; F279-W281 HydrophobicContact CD1-CH2 4.5Å; F279-W281 HydrophobicContact CD1-CZ2 4.22Å; F279-W281 HydrophobicContact CG-CZ2 4.31Å
282W87.4Confident90Very high177 Ų17749.3 Ų49.367%0.6722%0.22SC*.  trans-132.40171.358.699.5000107.1A189 A192 R193A189-W282 WeakPolarHBondContact O-CH2 3.44Å; A192-W282 WeakPolarHBondContact O-CH2 3.4Å; R193-W282 HydrophobicContact CB-CZ2 3.97Å; R193-W282 HydrophobicContact CG-CD2 4.49Å; R193-W282 WeakPolarHBondContact CG-O 3.39Å; R193-W282 PolarHBondContact NE-O 3.45Å; R193-W282 VanDerWaalsContact NE-O 3.14Å; R193-W282 PolarHBondContact NH1-O 3.45Å; R193-W282 PolarHBondContact NH1-OXT 3.2Å; R193-W282 PolarHBondContact NH2-O 3.43Å; R193-W282 PolarHBondContact NH2-OXT 2.93Å

Retrieved 282 of 282 residues in 54.2 ms (Link to these results)