A0A2K6CKR9_MACNE Loading...

Glucocorticoid modulatory element binding protein 1

Trans-acting factor that binds to glucocorticoid modulatory elements (GME) present in the TAT (tyrosine aminotransferase) promoter and increases sensitivity to low concentrations of glucocorticoids. Also binds to the transferrin receptor promoter. Essential auxiliary factor for the replication of parvoviruses.

AlphaFold DB , UniProt , Accession A0A2K6CKR9, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene GMEB1, Length 573 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
1M34.2Very low34.8Very low249 Ų249137.4 Ų137.4100%1.22785%0.854SS**  0133.20-61.3172.3-179.900106.9
2A35Very low34.3Very low97 Ų97139.6 Ų139.680%0.80286%0.856SS**  cis-153.6168.5-12.600000109.2
3N32.4Very low34Very low166 Ų166137.3 Ų137.389%0.88884%0.841SS**  trans-78.1158.2176.8-55.2-36.7000111.8
4A37.7Very low33.8Very low101 Ų101137.2 Ų137.284%0.83584%0.84SS**  trans-159.7123.4146.600000111.1
5E35.9Very low33.7Very low187 Ų187135.6 Ų135.687%0.87483%0.83SS**  trans-109.1133.9168.6-58.1163.2108.900108.8
6V33.5Very low33.6Very low141 Ų141135.1 Ų135.186%0.85583%0.826SS**  trans-160143.9166-179.40000107.7
7S28.3Very low34.1Very low103 Ų103133.3 Ų133.372%0.7282%0.818SS**  cis-167.2155.6-34.1-87.80000107
8V32.5Very low34Very low137 Ų137133.7 Ų133.783%0.8382%0.82SS**PPolyproline II helixtrans-99.3137.2173.8-179.70000110.6
9P48.4Very low33.9Very low117 Ų117136.8 Ų136.876%0.7682%0.824SS**PPolyproline II helixtrans-99142.616135.1-28.7000112
10V32.9Very low33.7Very low139 Ų139133.8 Ų133.884%0.84282%0.822SS**PPolyproline II helixtrans-88.3151.6173.8175.10000110.1
11G31.7Very low33.5Very low74 Ų74135 Ų13576%0.76382%0.823SS**  trans-132.2148.217200000110.6
12D29.2Very low33.5Very low164 Ų164131.7 Ų131.788%0.87781%0.805SS**  trans-97.3168.4-145.5-125.8-39.8000117.9
13V30.2Very low33.3Very low110 Ų110130.4 Ų130.467%0.66780%0.801SS**  trans-79.6145.3-177.6173.20000112.8V15V13-V15 HydrophobicContact CG1-CG2 3.79Å
14V30.8Very low33.2Very low136 Ų136132.3 Ų132.382%0.82481%0.805SS**  trans-130.8125.6153.9-179.60000109.5
15V33.1Very low33Very low113 Ų113133 Ų13369%0.68579%0.794SS**  trans-113.2138.1172.6172.80000108.9V13V13-V15 HydrophobicContact CG1-CG2 3.79Å
16V32.2Very low33.1Very low128 Ų128130.2 Ų130.278%0.77679%0.792SS**  trans-132.4117.2160.6-179.40000107.6
17P41.4Very low33.2Very low104 Ų104130.8 Ų130.868%0.67579%0.786SS**  trans-90.4163.6176.836.7-33.7000111.6
18T33.4Very low33.8Very low140 Ų140132.5 Ų132.586%0.85979%0.787SS**  trans-131135.6154.648.30000109.4
19E31.8Very low34Very low194 Ų194132.3 Ų132.391%0.90779%0.786SS**  trans-67.4160.3-179.7-62.4159.3-172.300110.6
20G30.1Very low33.4Very low75 Ų75134.9 Ų134.977%0.77379%0.785SS**  cis133.6114.75.800000109.9
21N28.8Very low33.5Very low160 Ų160134.1 Ų134.186%0.85678%0.781SS**  trans-151.7153166.7-168.845000110
22E34.8Very low33.6Very low180 Ų180137.8 Ų137.884%0.84178%0.778SS**  trans-95.8157.4-164.2-55.8170.2113.900112.7
23G29.5Very low33.8Very low69 Ų69135.9 Ų135.971%0.71177%0.772SS**  trans162.296.1168.300000118.4
24E30.7Very low34Very low207 Ų207137.1 Ų137.197%0.96777%0.774SS**  trans72.6174.5144.4-54.7-165.1109.200121.4
25N33.3Very low34Very low115 Ų115138 Ų13862%0.61577%0.773SS**  trans-104.4135.9-146.8179.640.8000113.7E27N25-E27 PolarHBondContact ND2-OE2 3.04Å; N25-E27 VanDerWaalsContact ND2-OE2 3.07Å; N25-E27 PolarHBondContact O-N 3.32Å
26P38.1Very low33.9Very low129 Ų129140.4 Ų140.484%0.83878%0.777SS**  trans-85.187.5173.934-34.5000112.2
27E35.2Very low33.9Very low153 Ų153142.3 Ų142.372%0.71578%0.782SS**  trans-119.7141.7174.5-154.8160.9-170.600111.7N25N25-E27 PolarHBondContact ND2-OE2 3.04Å; N25-E27 VanDerWaalsContact ND2-OE2 3.07Å; N25-E27 PolarHBondContact O-N 3.32Å
28D41.7Very low33.5Very low139 Ų139145.7 Ų145.774%0.74379%0.789SS**  trans47.985.8176.6-88.3-38.6000120.1
29T37Very low33.4Very low132 Ų132144.8 Ų144.881%0.8179%0.785SS**  trans-120.468.1147.562.80000111.5T31T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.23Å
30K34.4Very low33.4Very low172 Ų172142.4 Ų142.475%0.74878%0.783SS**  trans-78.272.9178.5-171178.6178.81750112.2Q32K30-Q32 PolarHBondContact O-N 3.46Å
31T36.8Very low33.4Very low122 Ų122147.5 Ų147.575%0.74879%0.787SS**  trans-67.1103.8180-42.10000111.4T29 V33T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.23Å; T31-V33 PolarHBondContact O-N 3.12Å
32Q32.9Very low33.5Very low152 Ų152149 Ų14971%0.7179%0.789SS**  trans-74.1119.2174.9-64.8-173.315.500110.6K30 I34K30-Q32 PolarHBondContact O-N 3.46Å; Q32-I34 PolarHBondContact O-N 3.22Å
33V34.3Very low33.4Very low124 Ų124144 Ų14475%0.75279%0.786SS**  trans-87.3101.9174.9-178.90000109.4T31 L35T31-V33 PolarHBondContact O-N 3.12Å; V33-L35 HydrophobicContact CG1-CG 4.45Å
34I34.6Very low33.5Very low136 Ų136148.9 Ų148.970%0.69780%0.795SS**  trans-90.6107.1173.7-59.7177.5000108.7Q32 Q36Q32-I34 PolarHBondContact O-N 3.22Å; I34-Q36 PolarHBondContact O-N 3.2Å
35L30.1Very low33.5Very low155 Ų155147.3 Ų147.381%0.81279%0.785SS**  trans-78.980.3175.5-79.1168.1000111.1V33 L37V33-L35 HydrophobicContact CG1-CG 4.45Å; L35-L37 PolarHBondContact O-N 3.42Å
36Q30.7Very low33.7Very low163 Ų163148 Ų14876%0.76279%0.787SS**  trans-84.598.2174.4-168.9169.37.200110.7I34 Q38I34-Q36 PolarHBondContact O-N 3.2Å; Q36-Q38 PolarHBondContact O-N 3.03Å
37L33.2Very low33.5Very low168 Ų168148.9 Ų148.988%0.8879%0.785SS**PPolyproline II helixtrans-67.6118.5176.4-68.9167.7000110.9L35L35-L37 PolarHBondContact O-N 3.42Å
38Q31.5Very low33.8Very low175 Ų175144.3 Ų144.382%0.81878%0.779SS**PPolyproline II helixtrans-90.3144.3166.5-72.3-171.8-37.200110.8Q36Q36-Q38 PolarHBondContact O-N 3.03Å
39P30.8Very low33.3Very low120 Ų120144.8 Ų144.878%0.77978%0.776SS**PPolyproline II helixtrans-70.9134.3172.630-33.9000110.8Q41P39-Q41 PolarHBondContact O-N 3.23Å
40V32.2Very low33.2Very low144 Ų144147 Ų14787%0.87378%0.775SS**PPolyproline II helixtrans-72.1121.9178.4179.40000109.8
41Q31.6Very low33.1Very low182 Ų182149 Ų14985%0.8578%0.779SS**PPolyproline II helixtrans-77.3142172.6-67.7-177-7.600110.8P39P39-Q41 PolarHBondContact O-N 3.23Å
42Q30.9Very low32.9Very low192 Ų192149.6 Ų149.690%0.89778%0.778SS**PPolyproline II helixtrans-74140.1-179.5-68.3159.9-36.700111
43G32.5Very low32.8Very low76 Ų76152.1 Ų152.178%0.78478%0.781SS**PPolyproline II helixtrans-70136.117900000112.6
44L31.3Very low32.7Very low171 Ų171153.3 Ų153.390%0.89578%0.782SS**PPolyproline II helixtrans-74141.3175.5-82.7161.6000111.7
45F30.2Very low32.5Very low173 Ų173156.4 Ų156.476%0.75979%0.786SS**  trans-108.8121.6-179.5-159.7-88.7000109.9
46I37.5Very low32.5Very low130 Ų130158 Ų15867%0.66779%0.79SS**  trans-139.7128.8174.6-53.1179.8000107.9G48I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 3.38Å; I46-G48 VanDerWaalsContact O-N 3.1Å
47D33.3Very low32.7Very low147 Ų147155.3 Ų155.379%0.78680%0.795SS**THydrogen-bonded Turntrans4246.9169.3-61.4-9.1000117H49D47-H49 PolarHBondContact O-CD2 3.38Å; D47-H49 PolarHBondContact O-N 2.95Å
48G42.1Very low32.5Very low57 Ų57150.7 Ų150.759%0.58879%0.788SS**THydrogen-bonded Turntrans71.2-0.915600000117.9I46I46-G48 VanDerWaalsContact C-N 3.34Å; I46-G48 PolarHBondContact O-N 3.38Å; I46-G48 VanDerWaalsContact O-N 3.1Å
49H31.9Very low32.3Very low149 Ų149147.9 Ų147.969%0.6979%0.788SS**  trans-121116.7-176.7-71.8-73.8000113D47 Y51D47-H49 PolarHBondContact O-CD2 3.38Å; D47-H49 PolarHBondContact O-N 2.95Å; H49-Y51 HydrophobicContact CB-CE2 4.19Å; H49-Y51 PolarHBondContact O-N 2.86Å
50F35.1Very low32.8Very low179 Ų179151 Ų15179%0.78579%0.792SS**  trans-85.5100.2179.9-153.8-85.4000111.3N52F50-N52 PolarHBondContact O-N 3.43Å
51Y32.1Very low32.7Very low213 Ų213151.1 Ų151.184%0.83579%0.787SS**  trans-79.597.6179-80.5-86.2000112.2H49 R53H49-Y51 HydrophobicContact CB-CE2 4.19Å; H49-Y51 PolarHBondContact O-N 2.86Å; Y51-R53 PolarHBondContact O-N 2.89Å
52N33.3Very low33Very low135 Ų135150 Ų15072%0.72279%0.787SS**  trans-68.5114.9165.7-110.2-37.3000110.2F50 I54F50-N52 PolarHBondContact O-N 3.43Å; N52-I54 PolarHBondContact O-N 2.92Å
53R29.7Very low33Very low206 Ų206146.9 Ų146.978%0.77778%0.782SS**  trans-77.490.3169.5-176.9178.1-70.6-178.7-3.4109.3Y51 Y55Y51-R53 PolarHBondContact O-N 2.89Å; R53-Y55 HydrophobicContact CG-CD2 4.25Å; R53-Y55 HydrophobicContact CG-CE2 4.23Å; R53-Y55 PolarHBondContact O-N 3.25Å
54I33.2Very low33Very low148 Ų148147.7 Ų147.776%0.75978%0.78SS**  trans-59.2125.5167.9-57.9173.7000108.3N52N52-I54 PolarHBondContact O-N 2.92Å
55Y30.3Very low33.1Very low201 Ų201146 Ų14679%0.78878%0.777SS**  trans-114.6142.4155.2-95-65.6000108.6R53R53-Y55 HydrophobicContact CG-CD2 4.25Å; R53-Y55 HydrophobicContact CG-CE2 4.23Å; R53-Y55 PolarHBondContact O-N 3.25Å
56E28.5Very low33.5Very low190 Ų190142.6 Ų142.689%0.88877%0.77SS**  trans-79.3156.5-171.2-159.4165.8-169.900111.7
57A35.1Very low33.3Very low106 Ų106140.6 Ų140.688%0.87677%0.773SS**  trans-73.4137.4-16900000113.2
58G29.7Very low33.6Very low70 Ų70137.3 Ų137.372%0.72276%0.758SS**  trans-173145.1171.100000113.4
59S27.9Very low33.4Very low117 Ų117141.5 Ų141.582%0.81876%0.762SS**  trans76149.1-178.7-155.20000116.8
60E40.5Very low33.7Very low186 Ų186138.9 Ų138.987%0.86976%0.757SS**  trans-12698.1-162.7-62.3171.6-140.900110.7
61N30.9Very low34Very low145 Ų145134.9 Ų134.978%0.77574%0.741SS**  trans-166.1167.3161.838.373.8000112.8
62N37.2Very low34.4Very low160 Ų160129.9 Ų129.986%0.85673%0.733SS**SBendtrans-81118.7-167.5-59.3-52.1000113
63T32.1Very low34.8Very low126 Ų126128.3 Ų128.377%0.77372%0.723SS**  175.697.8126-72.70000109.6V65T63-V65 HydrophobicContact CG2-CG2 4.21Å
64A30.8Very low35.3Very low92 Ų92124.6 Ų124.676%0.7671%0.714SS**  trans-91.3105.4172.800000110.3V66A64-V66 PolarHBondContact O-N 3.44Å
65V34.2Very low35.6Very low137 Ų137125.3 Ų125.383%0.8371%0.712SS**  trans-77.597.5169.4-178.60000108.2T63 A67T63-V65 HydrophobicContact CG2-CG2 4.21Å; V65-A67 PolarHBondContact O-N 3.3Å
66V37.8Very low35.9Very low100 Ų100124.2 Ų124.261%0.60672%0.718SS**  trans-79.4108178.6-178.30000109.4A64A64-V66 PolarHBondContact O-N 3.44Å
67A34.6Very low36.5Very low88 Ų88121.5 Ų121.573%0.72771%0.705SS**  trans-66.2135166.300000109.8V65 E69V65-A67 PolarHBondContact O-N 3.3Å; A67-E69 PolarHBondContact O-N 2.94Å
68V39.2Very low36.6Very low79 Ų79125.8 Ų125.848%0.47971%0.707SS.*  trans-81.1110.6174.7176.40000108.6T70 Y95 M159V68-T70 PolarHBondContact O-N 3.37Å; V68-Y95 HydrophobicContact CG1-CD1 4.32Å; V68-Y95 HydrophobicContact CG1-CE1 4.23Å; V68-M159 HydrophobicContact CG2-CE 4.27Å
69E37.6Very low37.2Very low144 Ų144125.9 Ų125.967%0.67371%0.708SS**  trans-77.486.2-176.5-164.3176.1-151.800111.5A67 H71A67-E69 PolarHBondContact O-N 2.94Å; E69-H71 VanDerWaalsContact CD-CE1 3.49Å; E69-H71 PolarHBondContact O-N 2.75Å; E69-H71 VanDerWaalsContact O-N 3.14Å; E69-H71 PolarHBondContact O-ND1 2.85Å; E69-H71 IonicContact OE2-CE1 3.14Å; E69-H71 PolarHBondContact OE2-CE1 3.35Å
70T37.8Very low37.8Very low95 Ų95128.5 Ų128.558%0.58371%0.711SS**  trans-67.4105174.650.70000110.6V68 T72 Y95V68-T70 PolarHBondContact O-N 3.37Å; T70-T72 PolarHBondContact O-N 2.93Å; T70-Y95 HydrophobicContact CG2-CE1 4.2Å
71H42.7Very low37.3Very low94 Ų94126.9 Ų126.944%0.43571%0.709SS.*  trans-85.1109.3177.9-7660.2000110.7E69 I73E69-H71 VanDerWaalsContact CD-CE1 3.49Å; E69-H71 PolarHBondContact O-N 2.75Å; E69-H71 VanDerWaalsContact O-N 3.14Å; E69-H71 PolarHBondContact O-ND1 2.85Å; E69-H71 IonicContact OE2-CE1 3.14Å; E69-H71 PolarHBondContact OE2-CE1 3.35Å; H71-I73 PolarHBondContact O-N 3.01Å
72T39.8Very low38Very low109 Ų109127.3 Ų127.367%0.66972%0.717SS**  trans-76.2114.9162.347.10000109.1T70 H74T70-T72 PolarHBondContact O-N 2.93Å; T72-H74 PolarHBondContact O-N 3.16Å; T72-H74 VanDerWaalsContact O-N 3.11Å
73I41.3Very low38.1Very low101 Ų101123.1 Ų123.152%0.51871%0.711SS.*  trans-79.796.5-175.4-56.6178.1000110.4H71 A94 I105H71-I73 PolarHBondContact O-N 3.01Å; I73-A94 HydrophobicContact CD1-CB 4.07Å; I73-I105 HydrophobicContact CD1-CD1 4.04Å; I73-I105 HydrophobicContact CD1-CG2 4.35Å
74H40.5Very low38.7Very low129 Ų129123.3 Ų123.360%0.59771%0.712SS**  trans-133.7145.8157.2-76-90.9000109.8T72 E89T72-H74 PolarHBondContact O-N 3.16Å; T72-H74 VanDerWaalsContact O-N 3.11Å; H74-E89 IonicContact CE1-OE1 2.79Å; H74-E89 PolarHBondContact CE1-OE1 2.87Å; H74-E89 IonicContact CE1-OE2 2.67Å; H74-E89 PolarHBondContact CE1-OE2 2.84Å
75K39.7Very low39.2Very low163 Ų163126.5 Ų126.571%0.70972%0.715SS**  trans55.3100.1-177.1-71.1-159.7172.4-1590116.9E77K75-E77 HydrophobicContact CD-CG 4.46Å; K75-E77 WeakPolarHBondContact CE-OE1 3.41Å; K75-E77 IonicContact NZ-OE1 2.65Å; K75-E77 PolarHBondContact NZ-OE1 2.87Å
76I36.7Very low39.3Very low178 Ų178128.3 Ų128.391%0.91371%0.714SS**  -116.8140.7113.1-60.7-178.2000106
77E40.3Very low39.4Very low133 Ų133128.5 Ų128.562%0.62173%0.726SS**  trans-80.9164.3-174.9-73.7167.3162.300110.3K75K75-E77 HydrophobicContact CD-CG 4.46Å; K75-E77 WeakPolarHBondContact CE-OE1 3.41Å; K75-E77 IonicContact NZ-OE1 2.65Å; K75-E77 PolarHBondContact NZ-OE1 2.87Å
78E38.5Very low39.6Very low195 Ų195131 Ų13191%0.91173%0.728SS**  cis-144.814342.8-58.3176124.800115
79G40.9Very low39.7Very low73 Ų73134.4 Ų134.475%0.75374%0.738SS**  trans68.497.2139.600000121.3
80I40.1Very low40.2Very low171 Ų171133 Ų13388%0.87774%0.735SS**  trans-163.7164.2131.9-100.6153.1000109.1
81D31.6Very low40.9Very low153 Ų153135 Ų13582%0.81874%0.74SS**  trans-56.1145.4-157.2-62.8-65.2000118.3G83D81-G83 PolarHBondContact O-N 2.96Å
82T45.8Very low42.5Very low154 Ų154134.4 Ų134.495%0.94574%0.737SS**SBendtrans-78.1111.7169.1-59.40000110.1
83G39.1Very low44.8Very low71 Ų71132.3 Ų132.373%0.73272%0.721SS**SBendtrans-170.8-43.1176.800000117.3D81D81-G83 PolarHBondContact O-N 2.96Å
84T43.3Very low47.2Very low131 Ų131127.7 Ų127.780%0.80470%0.698SS**  trans-146.881.8-168-43.30000113.2
85I42.6Very low49.7Very low159 Ų159123.1 Ų123.182%0.81568%0.676SS**  trans-130.4125.2157.6-62.4-177000107.4
86E36.2Very low52.3Low174 Ų174118.2 Ų118.281%0.81366%0.661SS**  trans-80.7165.3-177.7-60.2179.4138.500111.5N88E86-N88 PolarHBondContact O-N 3.19Å
87A39.3Very low55.1Low104 Ų104109.9 Ų109.986%0.8662%0.618SS**SBendtrans-71.482.8-172.600000113.2
88N38.2Very low57.7Low142 Ų142105.8 Ų105.876%0.75960%0.602SS**  trans-148.732.4173.6-126.5-108.1000115.6E86 D90E86-N88 PolarHBondContact O-N 3.19Å; N88-D90 PolarHBondContact O-N 3.5Å
89E42.8Very low60.4Low150 Ų15096.5 Ų96.570%0.70156%0.558SS**  trans-7675.1166.8-69.6-167.6125.300110.8H74 M91H74-E89 IonicContact CE1-OE1 2.79Å; H74-E89 PolarHBondContact CE1-OE1 2.87Å; H74-E89 IonicContact CE1-OE2 2.67Å; H74-E89 PolarHBondContact CE1-OE2 2.84Å; E89-M91 VanDerWaalsContact C-N 3.3Å; E89-M91 PolarHBondContact O-N 3.43Å
90D46.1Very low62.7Low114 Ų11495.1 Ų95.161%0.6154%0.544SS*.  trans-69.277.9-179179.933.7000111.2N88 E92 K109N88-D90 PolarHBondContact O-N 3.5Å; D90-E92 PolarHBondContact O-N 2.88Å; D90-K109 VanDerWaalsContact C-NZ 3.31Å; D90-K109 PolarHBondContact O-NZ 3.45Å; D90-K109 IonicContact OD1-NZ 2.86Å; D90-K109 PolarHBondContact OD1-NZ 3.45Å; D90-K109 IonicContact OD2-NZ 2.7Å; D90-K109 PolarHBondContact OD2-NZ 2.64Å
91M54.1Low65.1Low138 Ų13895.6 Ų95.668%0.6854%0.543SS*.  trans-1794.9-174.4-169.4-176.8-66.800114.7E89 I93 K109E89-M91 VanDerWaalsContact C-N 3.3Å; E89-M91 PolarHBondContact O-N 3.43Å; M91-I93 PolarHBondContact O-N 3.42Å; M91-I93 VanDerWaalsContact O-N 3.12Å; M91-K109 VanDerWaalsContact O-CE 3.24Å; M91-K109 WeakPolarHBondContact O-CE 3.36Å; M91-K109 PolarHBondContact O-NZ 2.65Å
92E76.4Confident68.1Low81 Ų8189.6 Ų89.638%0.37951%0.513SS..  trans-83.394.2-175.2-170.3162.7-128.800110.8D90 A94 L107D90-E92 PolarHBondContact O-N 2.88Å; E92-A94 PolarHBondContact O-N 3.41Å; E92-A94 VanDerWaalsContact O-N 3.13Å; E92-L107 HydrophobicContact CG-CD2 4.32Å
93I87.3Confident70.4Confident64 Ų6490.2 Ų90.233%0.32850%0.502SS..  trans-58.9116.5174.7-63.1170.8000109.1M91 Y95 W108M91-I93 PolarHBondContact O-N 3.42Å; M91-I93 VanDerWaalsContact O-N 3.12Å; I93-Y95 HydrophobicContact CG2-CE2 3.82Å; I93-W108 HydrophobicContact CB-CB 4.38Å; I93-W108 HydrophobicContact CB-CE3 4.09Å; I93-W108 HydrophobicContact CD1-CE3 3.9Å; I93-W108 HydrophobicContact CD1-CZ3 3.94Å; I93-W108 HydrophobicContact CG2-CB 4.07Å; I93-W108 HydrophobicContact CG2-CD2 4.47Å; I93-W108 HydrophobicContact CG2-CE3 3.96Å; I93-W108 VanDerWaalsContact O-CB 3.31Å; I93-W108 WeakPolarHBondContact O-CB 3.41Å; I93-W108 PolarHBondContact O-N 2.84Å
94A91.8Very high73Confident4 Ų487.3 Ų87.33%0.03347%0.471CS..EExtended strand (participates in β ladder)trans-131141.1-172.300000111I73 E92 I105 L106 L107I73-A94 HydrophobicContact CD1-CB 4.07Å; E92-A94 PolarHBondContact O-N 3.41Å; E92-A94 VanDerWaalsContact O-N 3.13Å; A94-I105 HydrophobicContact CB-CG2 3.7Å; A94-L106 WeakPolarHBondContact CA-O 3.44Å; A94-L107 HydrophobicContact CB-CD2 4.06Å
95Y92.9Very high75.5Confident34 Ų3483.8 Ų83.813%0.13345%0.447CS..EExtended strand (participates in β ladder)trans-123.3129.1-177.9-64.2-82.1000111.9V68 T70 I93 I97 L106 W108 L151 I165V68-Y95 HydrophobicContact CG1-CD1 4.32Å; V68-Y95 HydrophobicContact CG1-CE1 4.23Å; T70-Y95 HydrophobicContact CG2-CE1 4.2Å; I93-Y95 HydrophobicContact CG2-CE2 3.82Å; Y95-I97 PolarHBondContact O-N 2.85Å; Y95-L106 PolarHBondContact N-O 3.42Å; Y95-L106 PolarHBondContact O-N 2.66Å; Y95-W108 HydrophobicContact CD2-CB 4.02Å; Y95-W108 HydrophobicContact CE2-CB 3.75Å; Y95-W108 AromaticContact CE2-CG 3.87Å; Y95-W108 HydrophobicContact CE2-CG 3.87Å; Y95-L151 HydrophobicContact CG-CD2 4.4Å; Y95-I165 HydrophobicContact CD2-CD1 3.38Å; Y95-I165 HydrophobicContact CD2-CG1 4.34Å; Y95-I165 HydrophobicContact CE2-CD1 3.51Å; Y95-I165 HydrophobicContact CE2-CG1 3.97Å; Y95-I165 HydrophobicContact CG-CD1 3.98Å
96P94Very high78Confident60 Ų6076.3 Ų76.339%0.3941%0.409SS..EExtended strand (participates in β ladder)trans-71.5114.5177.228-33.1000111.1
97I95.6Very high80.7Confident2 Ų268.7 Ų68.71%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-106.8155.1178.158.3164.6000112.5Y95 A104 L106 V121 F133 I149 R150 L151Y95-I97 PolarHBondContact O-N 2.85Å; I97-A104 HydrophobicContact CD1-CB 4.19Å; I97-A104 HydrophobicContact CG1-CB 3.93Å; I97-A104 WeakPolarHBondContact CG1-O 3.47Å; I97-A104 PolarHBondContact N-O 3.39Å; I97-A104 PolarHBondContact O-N 2.63Å; I97-L106 HydrophobicContact CD1-CB 4.25Å; I97-L106 HydrophobicContact CG1-CB 4.35Å; I97-L106 HydrophobicContact CG2-CB 3.76Å; I97-L106 HydrophobicContact CG2-CD2 4.34Å; I97-V121 HydrophobicContact CD1-CB 4.44Å; I97-V121 HydrophobicContact CD1-CG1 3.81Å; I97-V121 HydrophobicContact CD1-CG2 3.77Å; I97-F133 HydrophobicContact CD1-CD1 3.84Å; I97-F133 HydrophobicContact CD1-CE1 3.6Å; I97-F133 HydrophobicContact CD1-CZ 4.41Å; I97-F133 HydrophobicContact CG1-CE1 4.14Å; I97-I149 HydrophobicContact CB-CG2 3.84Å; I97-I149 HydrophobicContact CD1-CD1 4.5Å; I97-I149 HydrophobicContact CD1-CG2 3.9Å; I97-I149 HydrophobicContact CG1-CG2 4.47Å; I97-I149 HydrophobicContact CG2-CG2 3.9Å; I97-R150 CarbonylContact C-O 3.43Å; I97-R150 VanDerWaalsContact CA-O 3.24Å; I97-R150 WeakPolarHBondContact CA-O 3.14Å; I97-L151 HydrophobicContact CG2-CD2 3.37Å; I97-L151 HydrophobicContact CG2-CG 3.86Å
98T94.8Very high83.2Confident47 Ų4766.9 Ų66.929%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-129.7151.7170.863.60000111.6S102 K103 I149 R150T98-S102 CarbonylContact C-O 3.6Å; T98-S102 VanDerWaalsContact CA-O 3.27Å; T98-S102 WeakPolarHBondContact CA-O 3.39Å; T98-K103 HydrophobicContact CG2-CG 4.14Å; T98-I149 CarbonylContact O-C 3.53Å; T98-I149 WeakPolarHBondContact O-CA 3.5Å; T98-R150 PolarHBondContact N-O 3.32Å; T98-R150 PolarHBondContact O-N 3.37Å
99C94.7Very high85.7Confident0 Ų062.3 Ų62.30%032%0.318CS..EExtended strand (participates in β ladder)trans-142.7114.8169.2-171.10000108.5E101 S102 F133 A137 A148C99-E101 PolarHBondContact O-N 2.91Å; C99-E101 VanDerWaalsContact O-N 3.16Å; C99-S102 PolarHBondContact N-O 2.82Å; C99-S102 WeakPolarHBondContact O-CB 3.3Å; C99-S102 PolarHBondContact O-N 2.85Å; C99-F133 HydrophobicContact CB-CD1 4.07Å; C99-F133 HydrophobicContact CB-CE1 3.43Å; C99-F133 VanDerWaalsContact CB-CE1 3.43Å; C99-F133 HydrophobicContact CB-CZ 3.72Å; C99-A137 HydrophobicContact CB-CB 3.73Å; C99-A137 WeakPolarHBondContact O-CB 3.42Å; C99-A148 PolarHBondContact SG-O 2.82Å
100G89.5Confident88Confident44 Ų4460.1 Ų60.145%0.45431%0.306SS..THydrogen-bonded Turntrans57.4-119.7-166.400000110.8
101E90.8Very high90.3Very high181 Ų18154.7 Ų54.785%0.84628%0.277SS*.THydrogen-bonded Turntrans-94.3-14.8176.1-70.3144.3-126.500113C99C99-E101 PolarHBondContact O-N 2.91Å; C99-E101 VanDerWaalsContact O-N 3.16Å
102S94.4Very high92.1Very high27 Ų2750.3 Ų50.319%0.18926%0.258CS..EExtended strand (participates in β ladder)trans-75134.3-179.7-53.10000111.4T98 C99T98-S102 CarbonylContact C-O 3.6Å; T98-S102 VanDerWaalsContact CA-O 3.27Å; T98-S102 WeakPolarHBondContact CA-O 3.39Å; C99-S102 PolarHBondContact N-O 2.82Å; C99-S102 WeakPolarHBondContact O-CB 3.3Å; C99-S102 PolarHBondContact O-N 2.85Å
103K94.5Very high92.8Very high167 Ų16747 Ų4773%0.72624%0.243SC*.EExtended strand (participates in β ladder)trans-109140.2174.3-54-175.7-177.8179.50109.7T98 F123T98-K103 HydrophobicContact CG2-CG 4.14Å; K103-F123 VanDerWaalsContact O-CD2 3.24Å; K103-F123 WeakPolarHBondContact O-CD2 3.46Å; K103-F123 WeakPolarHBondContact O-CE2 3.29Å
104A94.8Very high92.8Very high10 Ų1045.8 Ų45.88%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-150.4177.1177.200000110.4I97 V121 K122 F123 F133I97-A104 HydrophobicContact CD1-CB 4.19Å; I97-A104 HydrophobicContact CG1-CB 3.93Å; I97-A104 WeakPolarHBondContact CG1-O 3.47Å; I97-A104 PolarHBondContact N-O 3.39Å; I97-A104 PolarHBondContact O-N 2.63Å; A104-V121 HydrophobicContact CB-CG1 3.58Å; A104-K122 WeakPolarHBondContact CB-O 3.48Å; A104-F123 HydrophobicContact CB-CB 4.01Å; A104-F123 HydrophobicContact CB-CD2 3.93Å; A104-F123 HydrophobicContact CB-CG 4.4Å; A104-F133 HydrophobicContact CB-CD2 3.99Å; A104-F133 HydrophobicContact CB-CE1 4.15Å; A104-F133 HydrophobicContact CB-CE2 3.46Å; A104-F133 VanDerWaalsContact CB-CE2 3.46Å; A104-F133 HydrophobicContact CB-CZ 3.55Å
105I94.9Very high92.7Very high58 Ų5845.6 Ų45.630%0.29724%0.238SC..EExtended strand (participates in β ladder)trans-119.9126.7178.9-57.7178000109.1I73 A94 L107 V121 K122I73-I105 HydrophobicContact CD1-CD1 4.04Å; I73-I105 HydrophobicContact CD1-CG2 4.35Å; A94-I105 HydrophobicContact CB-CG2 3.7Å; I105-L107 HydrophobicContact CG2-CD2 4.09Å; I105-V121 CarbonylContact O-C 3.51Å; I105-V121 WeakPolarHBondContact O-CA 3.21Å; I105-K122 HydrophobicContact CB-CB 4.43Å; I105-K122 PolarHBondContact N-O 2.64Å; I105-K122 PolarHBondContact O-N 2.86Å
106L94.5Very high92.6Very high2 Ų246.8 Ų46.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-91115.9174.3179.566.1000109.4A94 Y95 I97 W108 F111 C120 V121 L156 I165A94-L106 WeakPolarHBondContact CA-O 3.44Å; Y95-L106 PolarHBondContact N-O 3.42Å; Y95-L106 PolarHBondContact O-N 2.66Å; I97-L106 HydrophobicContact CD1-CB 4.25Å; I97-L106 HydrophobicContact CG1-CB 4.35Å; I97-L106 HydrophobicContact CG2-CB 3.76Å; I97-L106 HydrophobicContact CG2-CD2 4.34Å; L106-W108 PolarHBondContact O-N 2.9Å; L106-F111 HydrophobicContact CD1-CB 4.31Å; L106-F111 HydrophobicContact CD1-CD2 3.84Å; L106-F111 HydrophobicContact CD1-CE2 4.41Å; L106-F111 HydrophobicContact CD1-CG 4.17Å; L106-F111 HydrophobicContact CD2-CG 4.44Å; L106-C120 HydrophobicContact CD1-CB 4.33Å; L106-V121 HydrophobicContact CD1-CG2 3.97Å; L106-L156 HydrophobicContact CD2-CD1 4.49Å; L106-I165 HydrophobicContact CD2-CD1 3.87Å
107L94.2Very high92.5Very high13 Ų1349 Ų497%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-84.4106.1177.3-52.9-179000108.7E92 A94 I105 K109 K110 F111 C120 L127E92-L107 HydrophobicContact CG-CD2 4.32Å; A94-L107 HydrophobicContact CB-CD2 4.06Å; I105-L107 HydrophobicContact CG2-CD2 4.09Å; L107-K109 PolarHBondContact O-N 3.05Å; L107-K110 HydrophobicContact CB-CB 4.32Å; L107-K110 HydrophobicContact CB-CG 4.06Å; L107-K110 PolarHBondContact O-N 3.5Å; L107-F111 PolarHBondContact O-N 3.49Å; L107-C120 PolarHBondContact N-O 3Å; L107-L127 HydrophobicContact CD1-CD1 3.63Å; L107-L127 HydrophobicContact CG-CD1 4.42Å
108W92Very high92.4Very high67 Ų6751.2 Ų51.225%0.25427%0.268SS..G310 helixtrans-66.1-41.4-167.3-177.556.6000112.6I93 Y95 L106 K110 F111 D166 Y168I93-W108 HydrophobicContact CB-CB 4.38Å; I93-W108 HydrophobicContact CB-CE3 4.09Å; I93-W108 HydrophobicContact CD1-CE3 3.9Å; I93-W108 HydrophobicContact CD1-CZ3 3.94Å; I93-W108 HydrophobicContact CG2-CB 4.07Å; I93-W108 HydrophobicContact CG2-CD2 4.47Å; I93-W108 HydrophobicContact CG2-CE3 3.96Å; I93-W108 VanDerWaalsContact O-CB 3.31Å; I93-W108 WeakPolarHBondContact O-CB 3.41Å; I93-W108 PolarHBondContact O-N 2.84Å; Y95-W108 HydrophobicContact CD2-CB 4.02Å; Y95-W108 HydrophobicContact CE2-CB 3.75Å; Y95-W108 AromaticContact CE2-CG 3.87Å; Y95-W108 HydrophobicContact CE2-CG 3.87Å; L106-W108 PolarHBondContact O-N 2.9Å; W108-K110 PolarHBondContact O-N 2.89Å; W108-F111 WeakPolarHBondContact O-CB 3.44Å; W108-F111 PolarHBondContact O-N 2.8Å; W108-D166 PolarHBondContact NE1-O 3.23Å; W108-Y168 HydrophobicContact CE3-CD2 4.44Å; W108-Y168 HydrophobicContact CH2-CD2 4.33Å; W108-Y168 HydrophobicContact CZ2-CD2 4.42Å; W108-Y168 HydrophobicContact CZ3-CD2 4.34Å; W108-Y168 WeakPolarHBondContact O-CB 3.33Å
109K90.7Very high92.4Very high46 Ų4655.8 Ų55.820%0.228%0.284CS..G310 helixtrans-55.5-24173.6-73-176.6170.6-178.60113.9D90 M91 L107D90-K109 VanDerWaalsContact C-NZ 3.31Å; D90-K109 PolarHBondContact O-NZ 3.45Å; D90-K109 IonicContact OD1-NZ 2.86Å; D90-K109 PolarHBondContact OD1-NZ 3.45Å; D90-K109 IonicContact OD2-NZ 2.7Å; D90-K109 PolarHBondContact OD2-NZ 2.64Å; M91-K109 VanDerWaalsContact O-CE 3.24Å; M91-K109 WeakPolarHBondContact O-CE 3.36Å; M91-K109 PolarHBondContact O-NZ 2.65Å; L107-K109 PolarHBondContact O-N 3.05Å
110K90.8Very high92.3Very high104 Ų10455.8 Ų55.845%0.45228%0.284SS..G310 helixtrans-96.3-7.9177.5-51.3-59.6-177-175.10113.1L107 W108 V112 V118 C120L107-K110 HydrophobicContact CB-CB 4.32Å; L107-K110 HydrophobicContact CB-CG 4.06Å; L107-K110 PolarHBondContact O-N 3.5Å; W108-K110 PolarHBondContact O-N 2.89Å; K110-V112 VanDerWaalsContact C-N 3.29Å; K110-V112 PolarHBondContact O-N 3.42Å; K110-V118 VanDerWaalsContact O-CG1 3.3Å; K110-V118 WeakPolarHBondContact O-CG1 3.39Å; K110-C120 HydrophobicContact CB-CB 3.84Å; K110-C120 WeakPolarHBondContact O-CB 3.43Å
111F93Very high92.6Very high0 Ų053.7 Ų53.70%026%0.263CS..  trans-82.965.9-174.7-175.2-123.3000111.8L106 L107 W108 C120 W145 L156 M160 F167 Y168L106-F111 HydrophobicContact CD1-CB 4.31Å; L106-F111 HydrophobicContact CD1-CD2 3.84Å; L106-F111 HydrophobicContact CD1-CE2 4.41Å; L106-F111 HydrophobicContact CD1-CG 4.17Å; L106-F111 HydrophobicContact CD2-CG 4.44Å; L107-F111 PolarHBondContact O-N 3.49Å; W108-F111 WeakPolarHBondContact O-CB 3.44Å; W108-F111 PolarHBondContact O-N 2.8Å; F111-C120 HydrophobicContact CB-CB 4.45Å; F111-W145 AromaticContact CE2-CH2 3.8Å; F111-W145 HydrophobicContact CE2-CH2 3.8Å; F111-W145 HydrophobicContact CE2-CZ3 4Å; F111-W145 HydrophobicContact CZ-CH2 4.04Å; F111-W145 HydrophobicContact CZ-CZ3 4.33Å; F111-L156 HydrophobicContact CZ-CD2 4.33Å; F111-M160 HydrophobicContact CE1-CE 3.88Å; F111-M160 HydrophobicContact CE1-SD 4.47Å; F111-M160 HydrophobicContact CZ-CE 3.93Å; F111-M160 HydrophobicContact CZ-SD 4.19Å; F111-F167 AromaticContact CD1-CD1 3.89Å; F111-F167 HydrophobicContact CD1-CD1 3.89Å; F111-F167 HydrophobicContact CD2-CD1 4.2Å; F111-F167 HydrophobicContact CD2-CE1 4.46Å; F111-F167 AromaticContact CE1-CD1 3.6Å; F111-F167 HydrophobicContact CE1-CD1 3.6Å; F111-F167 HydrophobicContact CE1-CE1 4.03Å; F111-F167 HydrophobicContact CE1-CG 4.27Å; F111-F167 AromaticContact CE2-CD1 3.95Å; F111-F167 HydrophobicContact CE2-CD1 3.95Å; F111-F167 AromaticContact CE2-CE1 3.83Å; F111-F167 HydrophobicContact CE2-CE1 3.83Å; F111-F167 HydrophobicContact CG-CD1 4.19Å; F111-F167 AromaticContact CZ-CD1 3.64Å; F111-F167 HydrophobicContact CZ-CD1 3.64Å; F111-F167 AromaticContact CZ-CE1 3.59Å; F111-F167 HydrophobicContact CZ-CE1 3.59Å; F111-F167 CarbonylContact O-C 3.49Å; F111-F167 WeakPolarHBondContact O-CA 3.24Å; F111-F167 WeakPolarHBondContact O-CB 3.45Å; F111-Y168 PolarHBondContact O-N 3.45Å
112V92.1Very high92.8Very high45 Ų4548.6 Ų48.627%0.27324%0.238SC..  trans-86.2146.5-178.8-176.40000111.4K110 G115 V173K110-V112 VanDerWaalsContact C-N 3.29Å; K110-V112 PolarHBondContact O-N 3.42Å; V112-G115 WeakPolarHBondContact O-CA 3.43Å; V112-G115 PolarHBondContact O-N 2.88Å; V112-V173 HydrophobicContact CG1-CB 4.41Å; V112-V173 HydrophobicContact CG1-CG1 3.66Å
113C91.9Very high92.8Very high11 Ų1148.7 Ų48.77%0.07424%0.235CC..THydrogen-bonded Turntrans-59.9137.4178.2-171.70000112F167 V173 S175 C178C113-F167 HydrophobicContact CB-CB 4.07Å; C113-F167 HydrophobicContact CB-CD1 4.37Å; C113-F167 HydrophobicContact CB-CD2 3.78Å; C113-F167 HydrophobicContact CB-CE2 4.19Å; C113-F167 HydrophobicContact CB-CG 3.84Å; C113-V173 WeakPolarHBondContact CB-O 3.35Å; C113-S175 PolarHBondContact SG-N 2.76Å; C113-C178 WeakPolarHBondContact SG-CB 3.19Å; C113-C178 VanDerWaalsContact SG-SG 3.61Å
114P87.2Confident92.6Very high40 Ų4047.1 Ų47.126%0.2623%0.234SC..THydrogen-bonded Turncis-877.71.333.3-32.9000114.6I116 W145 F167 S175 C178P114-I116 HydrophobicContact CG-CG2 4.33Å; P114-I116 PolarHBondContact O-N 3.49Å; P114-W145 VanDerWaalsContact O-CZ2 3.32Å; P114-W145 WeakPolarHBondContact O-CZ2 3.3Å; P114-F167 VanDerWaalsContact C-CE1 3.43Å; P114-F167 WeakPolarHBondContact O-CE1 3.33Å; P114-F167 WeakPolarHBondContact O-CZ 3.36Å; P114-S175 WeakPolarHBondContact CB-OG 3.47Å; P114-S175 WeakPolarHBondContact CD-OG 3.42Å; P114-C178 HydrophobicContact CB-CB 3.96Å
115G88.8Confident92.2Very high0 Ų052.9 Ų52.90%026%0.264CS..  trans72.5-36175.200000116.6V112 N117 V118 P130V112-G115 WeakPolarHBondContact O-CA 3.43Å; V112-G115 PolarHBondContact O-N 2.88Å; G115-N117 VanDerWaalsContact C-N 3.28Å; G115-N117 PolarHBondContact O-N 3.14Å; G115-V118 PolarHBondContact O-N 2.92Å; G115-P130 VanDerWaalsContact O-CD 3.28Å; G115-P130 WeakPolarHBondContact O-CD 3.46Å; G115-P130 WeakPolarHBondContact O-CG 3.47Å
116I91.1Very high92.1Very high59 Ų5956 Ų5630%0.30328%0.277SS..THydrogen-bonded Turntrans-48.1-43.6-168.8-172.4170.6000114.8P114 K131 W145P114-I116 HydrophobicContact CG-CG2 4.33Å; P114-I116 PolarHBondContact O-N 3.49Å; I116-K131 HydrophobicContact CG1-CB 3.96Å; I116-K131 HydrophobicContact CG1-CD 4.31Å; I116-K131 WeakPolarHBondContact O-CB 3.36Å; I116-K131 PolarHBondContact O-N 2.74Å; I116-K131 VanDerWaalsContact O-N 3.12Å; I116-W145 HydrophobicContact CB-CZ2 4.26Å; I116-W145 HydrophobicContact CG1-CG 4.37Å
117N91.7Very high92.1Very high106 Ų10659.2 Ų59.257%0.56729%0.294SS*.THydrogen-bonded Turntrans-105.1-5179.8-62.1-29.5000113.1G115 S129 K131G115-N117 VanDerWaalsContact C-N 3.28Å; G115-N117 PolarHBondContact O-N 3.14Å; N117-S129 VanDerWaalsContact C-CB 3.49Å; N117-S129 WeakPolarHBondContact O-CB 3.3Å; N117-K131 WeakPolarHBondContact OD1-CD 3.4Å
118V93.3Very high92.2Very high48 Ų4859 Ų5929%0.29129%0.292SS..SBendtrans-75.5130.5-175.3-176.30000109.6K110 G115 C120 S129 P130K110-V118 VanDerWaalsContact O-CG1 3.3Å; K110-V118 WeakPolarHBondContact O-CG1 3.39Å; G115-V118 PolarHBondContact O-N 2.92Å; V118-C120 PolarHBondContact O-N 3.23Å; V118-C120 PolarHBondContact O-SG 3.36Å; V118-S129 WeakPolarHBondContact O-CA 3.49Å; V118-P130 WeakPolarHBondContact O-CD 3.44Å
119K94.7Very high92.3Very high144 Ų14456.7 Ų56.763%0.62629%0.287SS*.SBendtrans-7396.7177.4-70.1-176-179.2179.50109.9L127 I128K119-L127 HydrophobicContact CB-CD2 4.16Å; K119-L127 HydrophobicContact CB-CG 4.08Å; K119-I128 WeakPolarHBondContact CA-O 3.45Å
120C94Very high92.5Very high0 Ų054.5 Ų54.50%028%0.278CS..  trans-140.7-2-174.658.20000113.8L106 L107 K110 F111 V118 I128 P130L106-C120 HydrophobicContact CD1-CB 4.33Å; L107-C120 PolarHBondContact N-O 3Å; K110-C120 HydrophobicContact CB-CB 3.84Å; K110-C120 WeakPolarHBondContact O-CB 3.43Å; F111-C120 HydrophobicContact CB-CB 4.45Å; V118-C120 PolarHBondContact O-N 3.23Å; V118-C120 PolarHBondContact O-SG 3.36Å; C120-I128 PolarHBondContact N-O 2.86Å; C120-I128 VanDerWaalsContact N-O 3.1Å; C120-P130 VanDerWaalsContact SG-CD 3.6Å
121V95.6Very high92.6Very high0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-109.1116.6178.71730000109.1I97 A104 I105 L106 I128 P130 F133I97-V121 HydrophobicContact CD1-CB 4.44Å; I97-V121 HydrophobicContact CD1-CG1 3.81Å; I97-V121 HydrophobicContact CD1-CG2 3.77Å; A104-V121 HydrophobicContact CB-CG1 3.58Å; I105-V121 CarbonylContact O-C 3.51Å; I105-V121 WeakPolarHBondContact O-CA 3.21Å; L106-V121 HydrophobicContact CD1-CG2 3.97Å; V121-I128 HydrophobicContact CB-CG1 4.22Å; V121-I128 HydrophobicContact CG1-CG1 4.22Å; V121-I128 PolarHBondContact N-O 2.94Å; V121-I128 WeakPolarHBondContact O-CG1 3.22Å; V121-I128 PolarHBondContact O-N 3.41Å; V121-P130 HydrophobicContact CG2-CG 4.13Å; V121-F133 HydrophobicContact CG1-CB 4.04Å; V121-F133 HydrophobicContact CG1-CD1 4.16Å; V121-F133 HydrophobicContact CG1-CD2 4.27Å; V121-F133 HydrophobicContact CG1-CG 3.9Å
122K94.4Very high92.7Very high74 Ų7459.2 Ų59.232%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-84.9115.4170.9-172.5-179.9178.1-172.40109.3A104 I105 D125 Q126A104-K122 WeakPolarHBondContact CB-O 3.48Å; I105-K122 HydrophobicContact CB-CB 4.43Å; I105-K122 PolarHBondContact N-O 2.64Å; I105-K122 PolarHBondContact O-N 2.86Å; K122-D125 WeakPolarHBondContact CE-OD1 3.3Å; K122-D125 IonicContact NZ-OD1 3.72Å; K122-D125 PolarHBondContact NZ-OD1 3.1Å; K122-Q126 WeakPolarHBondContact CA-O 3.41Å
123F93.9Very high92.8Very high29 Ų2957 Ų5713%0.12729%0.286CS..EExtended strand (participates in β ladder)trans-135.6125.1-179.8178.9-117.4000109.5K103 A104 D125 Q126 I128 F133 L136K103-F123 VanDerWaalsContact O-CD2 3.24Å; K103-F123 WeakPolarHBondContact O-CD2 3.46Å; K103-F123 WeakPolarHBondContact O-CE2 3.29Å; A104-F123 HydrophobicContact CB-CB 4.01Å; A104-F123 HydrophobicContact CB-CD2 3.93Å; A104-F123 HydrophobicContact CB-CG 4.4Å; F123-D125 PolarHBondContact O-N 3.36Å; F123-Q126 PolarHBondContact N-O 2.92Å; F123-Q126 PolarHBondContact O-N 2.98Å; F123-I128 HydrophobicContact CB-CD1 3.7Å; F123-I128 HydrophobicContact CB-CG1 4.15Å; F123-I128 HydrophobicContact CD1-CD1 3.96Å; F123-I128 HydrophobicContact CG-CD1 4.19Å; F123-F133 HydrophobicContact CB-CD2 4.37Å; F123-F133 HydrophobicContact CD1-CD2 4.5Å; F123-F133 HydrophobicContact CD2-CD2 4.15Å; F123-F133 AromaticContact CD2-CE2 3.84Å; F123-F133 HydrophobicContact CD2-CE2 3.84Å; F123-F133 HydrophobicContact CE2-CE2 4.09Å; F123-F133 HydrophobicContact CG-CD2 4.09Å; F123-F133 HydrophobicContact CG-CE2 4.26Å; F123-L136 HydrophobicContact CD1-CD1 3.74Å; F123-L136 HydrophobicContact CE1-CB 4.17Å; F123-L136 HydrophobicContact CE1-CD1 3.75Å
124N90.6Very high93Very high134 Ų13456.8 Ų56.872%0.71728%0.284SS*.THydrogen-bonded Turntrans46.749.7-173.1-57.2-15.5000111.8Q126N124-Q126 PolarHBondContact O-N 2.72Å
125D87.5Confident93.3Very high131 Ų13160.5 Ų60.570%0.70130%0.297SS*.THydrogen-bonded Turntrans57.1-2.8-173.4-67.8-78.2000118.2K122 F123K122-D125 WeakPolarHBondContact CE-OD1 3.3Å; K122-D125 IonicContact NZ-OD1 3.72Å; K122-D125 PolarHBondContact NZ-OD1 3.1Å; F123-D125 PolarHBondContact O-N 3.36Å
126Q92.5Very high93.4Very high124 Ų12464.5 Ų64.558%0.57932%0.319SS*.EExtended strand (participates in β ladder)trans-88.9136.9173.4-168.8177.874.700112.1K122 F123 N124 I128K122-Q126 WeakPolarHBondContact CA-O 3.41Å; F123-Q126 PolarHBondContact N-O 2.92Å; F123-Q126 PolarHBondContact O-N 2.98Å; N124-Q126 PolarHBondContact O-N 2.72Å; Q126-I128 HydrophobicContact CB-CG2 4.32Å; Q126-I128 HydrophobicContact CG-CG2 3.87Å; Q126-I128 PolarHBondContact O-N 3.37Å; Q126-I128 VanDerWaalsContact OE1-CG2 3.31Å
127L94Very high93.4Very high68 Ų6862.3 Ų62.336%0.35631%0.309SS..EExtended strand (participates in β ladder)trans-87107.4173.8-168.570.9000111.2L107 K119L107-L127 HydrophobicContact CD1-CD1 3.63Å; L107-L127 HydrophobicContact CG-CD1 4.42Å; K119-L127 HydrophobicContact CB-CD2 4.16Å; K119-L127 HydrophobicContact CB-CG 4.08Å
128I95.4Very high93.4Very high8 Ų859.9 Ų59.94%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-118.8170.5-17563.9171.5000112K119 C120 V121 F123 Q126 H132 F133 L136K119-I128 WeakPolarHBondContact CA-O 3.45Å; C120-I128 PolarHBondContact N-O 2.86Å; C120-I128 VanDerWaalsContact N-O 3.1Å; V121-I128 HydrophobicContact CB-CG1 4.22Å; V121-I128 HydrophobicContact CG1-CG1 4.22Å; V121-I128 PolarHBondContact N-O 2.94Å; V121-I128 WeakPolarHBondContact O-CG1 3.22Å; V121-I128 PolarHBondContact O-N 3.41Å; F123-I128 HydrophobicContact CB-CD1 3.7Å; F123-I128 HydrophobicContact CB-CG1 4.15Å; F123-I128 HydrophobicContact CD1-CD1 3.96Å; F123-I128 HydrophobicContact CG-CD1 4.19Å; Q126-I128 HydrophobicContact CB-CG2 4.32Å; Q126-I128 HydrophobicContact CG-CG2 3.87Å; Q126-I128 PolarHBondContact O-N 3.37Å; Q126-I128 VanDerWaalsContact OE1-CG2 3.31Å; I128-H132 HydrophobicContact CB-CB 4.45Å; I128-F133 HydrophobicContact CD1-CB 3.77Å; I128-F133 HydrophobicContact CD1-CD2 4.36Å; I128-F133 HydrophobicContact CG1-CB 4.37Å; I128-L136 HydrophobicContact CD1-CD1 3.89Å
129S95.1Very high93.2Very high20 Ų2061.4 Ų61.414%0.1431%0.312CS..  trans-87.4153.7175.866.70000112.5N117 V118 K131 H132 F133N117-S129 VanDerWaalsContact C-CB 3.49Å; N117-S129 WeakPolarHBondContact O-CB 3.3Å; V118-S129 WeakPolarHBondContact O-CA 3.49Å; S129-K131 PolarHBondContact O-N 3.2Å; S129-H132 WeakPolarHBondContact O-CA 3.38Å; S129-H132 PolarHBondContact O-N 2.97Å; S129-H132 PolarHBondContact OG-N 2.86Å; S129-F133 PolarHBondContact O-N 2.66Å
130P94.8Very high92.8Very high0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-52.3-40174.2-29.435.6000113.4G115 V118 C120 V121 H132 F133 V134 W145 I149G115-P130 VanDerWaalsContact O-CD 3.28Å; G115-P130 WeakPolarHBondContact O-CD 3.46Å; G115-P130 WeakPolarHBondContact O-CG 3.47Å; V118-P130 WeakPolarHBondContact O-CD 3.44Å; C120-P130 VanDerWaalsContact SG-CD 3.6Å; V121-P130 HydrophobicContact CG2-CG 4.13Å; P130-H132 PolarHBondContact O-N 3.45Å; P130-F133 PolarHBondContact O-N 3.33Å; P130-V134 WeakPolarHBondContact O-CB 3.25Å; P130-V134 VanDerWaalsContact O-CG2 3.28Å; P130-V134 WeakPolarHBondContact O-CG2 3.16Å; P130-V134 PolarHBondContact O-N 3.17Å; P130-W145 HydrophobicContact CB-CD2 4.14Å; P130-W145 HydrophobicContact CB-CE3 3.47Å; P130-W145 VanDerWaalsContact CB-CE3 3.47Å; P130-W145 HydrophobicContact CB-CZ3 3.7Å; P130-W145 HydrophobicContact CG-CE3 4.3Å; P130-W145 HydrophobicContact CG-CZ3 4.02Å; P130-I149 HydrophobicContact CB-CD1 3.84Å
131K93.7Very high92.3Very high123 Ų12363.5 Ų63.554%0.53534%0.339SS..Hα-helixtrans-61.1-41.3174179.8-178.7174.6-172.80112.4I116 N117 S129 H135I116-K131 HydrophobicContact CG1-CB 3.96Å; I116-K131 HydrophobicContact CG1-CD 4.31Å; I116-K131 WeakPolarHBondContact O-CB 3.36Å; I116-K131 PolarHBondContact O-N 2.74Å; I116-K131 VanDerWaalsContact O-N 3.12Å; N117-K131 WeakPolarHBondContact OD1-CD 3.4Å; S129-K131 PolarHBondContact O-N 3.2Å; K131-H135 PolarHBondContact O-N 3.39Å
132H94.1Very high91.7Very high79 Ų7967.6 Ų67.637%0.36636%0.36SS..Hα-helixtrans-73.5-39178.5-165.675.1000111.8I128 S129 P130 V134 H135 L136I128-H132 HydrophobicContact CB-CB 4.45Å; S129-H132 WeakPolarHBondContact O-CA 3.38Å; S129-H132 PolarHBondContact O-N 2.97Å; S129-H132 PolarHBondContact OG-N 2.86Å; P130-H132 PolarHBondContact O-N 3.45Å; H132-V134 PolarHBondContact O-N 2.92Å; H132-H135 WeakPolarHBondContact O-CA 3.36Å; H132-H135 VanDerWaalsContact O-CB 3.3Å; H132-H135 WeakPolarHBondContact O-CB 3.48Å; H132-H135 PolarHBondContact O-N 3.15Å; H132-L136 WeakPolarHBondContact O-CG 3.35Å; H132-L136 PolarHBondContact O-N 3.44Å
133F95.2Very high91.3Very high0 Ų074.1 Ų74.10%039%0.389CS..Hα-helixtrans-59.3-46.3173.7177-125.6000112I97 C99 A104 V121 F123 I128 S129 P130 H135 L136 A137 I149I97-F133 HydrophobicContact CD1-CD1 3.84Å; I97-F133 HydrophobicContact CD1-CE1 3.6Å; I97-F133 HydrophobicContact CD1-CZ 4.41Å; I97-F133 HydrophobicContact CG1-CE1 4.14Å; C99-F133 HydrophobicContact CB-CD1 4.07Å; C99-F133 HydrophobicContact CB-CE1 3.43Å; C99-F133 VanDerWaalsContact CB-CE1 3.43Å; C99-F133 HydrophobicContact CB-CZ 3.72Å; A104-F133 HydrophobicContact CB-CD2 3.99Å; A104-F133 HydrophobicContact CB-CE1 4.15Å; A104-F133 HydrophobicContact CB-CE2 3.46Å; A104-F133 VanDerWaalsContact CB-CE2 3.46Å; A104-F133 HydrophobicContact CB-CZ 3.55Å; V121-F133 HydrophobicContact CG1-CB 4.04Å; V121-F133 HydrophobicContact CG1-CD1 4.16Å; V121-F133 HydrophobicContact CG1-CD2 4.27Å; V121-F133 HydrophobicContact CG1-CG 3.9Å; F123-F133 HydrophobicContact CB-CD2 4.37Å; F123-F133 HydrophobicContact CD1-CD2 4.5Å; F123-F133 HydrophobicContact CD2-CD2 4.15Å; F123-F133 AromaticContact CD2-CE2 3.84Å; F123-F133 HydrophobicContact CD2-CE2 3.84Å; F123-F133 HydrophobicContact CE2-CE2 4.09Å; F123-F133 HydrophobicContact CG-CD2 4.09Å; F123-F133 HydrophobicContact CG-CE2 4.26Å; I128-F133 HydrophobicContact CD1-CB 3.77Å; I128-F133 HydrophobicContact CD1-CD2 4.36Å; I128-F133 HydrophobicContact CG1-CB 4.37Å; S129-F133 PolarHBondContact O-N 2.66Å; P130-F133 PolarHBondContact O-N 3.33Å; F133-H135 PolarHBondContact O-N 2.83Å; F133-L136 PolarHBondContact O-N 3.21Å; F133-A137 VanDerWaalsContact O-CB 3.26Å; F133-A137 WeakPolarHBondContact O-CB 3.41Å; F133-A137 PolarHBondContact O-N 2.86Å; F133-I149 HydrophobicContact CD1-CD1 3.97Å; F133-I149 HydrophobicContact CD1-CG1 4.08Å; F133-I149 HydrophobicContact CE1-CG1 4.31Å
134V94.6Very high91Very high6 Ų674 Ų744%0.03639%0.39CS..Hα-helixtrans-62.5-25.9173.9169.60000112.3P130 H132 K139 S140 W145 A148 I149P130-V134 WeakPolarHBondContact O-CB 3.25Å; P130-V134 VanDerWaalsContact O-CG2 3.28Å; P130-V134 WeakPolarHBondContact O-CG2 3.16Å; P130-V134 PolarHBondContact O-N 3.17Å; H132-V134 PolarHBondContact O-N 2.92Å; V134-K139 HydrophobicContact CG1-CB 4.1Å; V134-K139 CarbonylContact O-C 3.51Å; V134-K139 PolarHBondContact O-N 3.29Å; V134-S140 PolarHBondContact O-N 2.8Å; V134-W145 HydrophobicContact CG2-CB 4.11Å; V134-A148 HydrophobicContact CB-CB 4.47Å; V134-A148 HydrophobicContact CG1-CB 3.83Å; V134-A148 HydrophobicContact CG2-CB 3.73Å; V134-I149 HydrophobicContact CG2-CD1 4.04Å; V134-I149 HydrophobicContact CG2-CG1 3.69Å
135H93.3Very high91.1Very high117 Ų11768.8 Ų68.854%0.54236%0.36SS..Hα-helixtrans-74.5-51.3173.9-165.385.6000112.4K131 H132 F133 A137 G138 S140K131-H135 PolarHBondContact O-N 3.39Å; H132-H135 WeakPolarHBondContact O-CA 3.36Å; H132-H135 VanDerWaalsContact O-CB 3.3Å; H132-H135 WeakPolarHBondContact O-CB 3.48Å; H132-H135 PolarHBondContact O-N 3.15Å; F133-H135 PolarHBondContact O-N 2.83Å; H135-A137 VanDerWaalsContact C-N 3.26Å; H135-A137 PolarHBondContact O-N 2.99Å; H135-G138 PolarHBondContact O-N 3.33Å; H135-S140 VanDerWaalsContact CA-OG 3.3Å; H135-S140 WeakPolarHBondContact CA-OG 3.5Å; H135-S140 PolarHBondContact ND1-OG 3.22Å
136L91.9Very high91.3Very high85 Ų8563 Ų6345%0.44533%0.329SS..Hα-helixtrans-60.7-35175.9-62.8177000112.2F123 I128 H132 F133 G138F123-L136 HydrophobicContact CD1-CD1 3.74Å; F123-L136 HydrophobicContact CE1-CB 4.17Å; F123-L136 HydrophobicContact CE1-CD1 3.75Å; I128-L136 HydrophobicContact CD1-CD1 3.89Å; H132-L136 WeakPolarHBondContact O-CG 3.35Å; H132-L136 PolarHBondContact O-N 3.44Å; F133-L136 PolarHBondContact O-N 3.21Å; L136-G138 PolarHBondContact O-N 3.04Å
137A91.5Very high91.3Very high13 Ų1363.4 Ų63.411%0.10733%0.325CS..THydrogen-bonded Turntrans-73.62.9174.200000114.9C99 F133 H135 K139C99-A137 HydrophobicContact CB-CB 3.73Å; C99-A137 WeakPolarHBondContact O-CB 3.42Å; F133-A137 VanDerWaalsContact O-CB 3.26Å; F133-A137 WeakPolarHBondContact O-CB 3.41Å; F133-A137 PolarHBondContact O-N 2.86Å; H135-A137 VanDerWaalsContact C-N 3.26Å; H135-A137 PolarHBondContact O-N 2.99Å; A137-K139 PolarHBondContact O-N 3.19Å
138G90.4Very high91.3Very high54 Ų5460.6 Ų60.656%0.55731%0.311SS*.THydrogen-bonded Turntrans66.816.4179.300000114.9H135 L136H135-G138 PolarHBondContact O-N 3.33Å; L136-G138 PolarHBondContact O-N 3.04Å
139K89.3Confident91.3Very high81 Ų8160.3 Ų60.335%0.35231%0.31SS..  trans-101.914.3-178.6-56.4-49.3177-163.70113.9V134 A137 T141 L142 A148V134-K139 HydrophobicContact CG1-CB 4.1Å; V134-K139 CarbonylContact O-C 3.51Å; V134-K139 PolarHBondContact O-N 3.29Å; A137-K139 PolarHBondContact O-N 3.19Å; K139-T141 PolarHBondContact O-N 3.03Å; K139-T141 VanDerWaalsContact O-N 3.07Å; K139-L142 WeakPolarHBondContact O-CB 3.28Å; K139-L142 PolarHBondContact O-N 3.28Å; K139-A148 HydrophobicContact CB-CB 4.31Å
140S86.3Confident91.3Very high56 Ų5664.2 Ų64.239%0.39232%0.322SS..THydrogen-bonded Turntrans-52.8-26.3175.8-730000115.9V134 H135 L142V134-S140 PolarHBondContact O-N 2.8Å; H135-S140 VanDerWaalsContact CA-OG 3.3Å; H135-S140 WeakPolarHBondContact CA-OG 3.5Å; H135-S140 PolarHBondContact ND1-OG 3.22Å; S140-L142 PolarHBondContact O-N 3.4Å
141T84.5Confident91.2Very high132 Ų13264.8 Ų64.881%0.8133%0.325SS*.THydrogen-bonded Turntrans-63.2-26.8175.449.90000111.9K139 K143K139-T141 PolarHBondContact O-N 3.03Å; K139-T141 VanDerWaalsContact O-N 3.07Å; T141-K143 PolarHBondContact O-N 3.16Å
142L82.3Confident90.9Very high85 Ų8562.3 Ų62.345%0.44533%0.334SS..SBendtrans-83.299.1172.3-151.677.5000109.5K139 S140 D144 R147 A148K139-L142 WeakPolarHBondContact O-CB 3.28Å; K139-L142 PolarHBondContact O-N 3.28Å; S140-L142 PolarHBondContact O-N 3.4Å; L142-D144 PolarHBondContact O-N 3.09Å; L142-R147 HydrophobicContact CD2-CB 3.95Å; L142-A148 HydrophobicContact CD2-CB 4Å
143K85.8Confident90.7Very high212 Ų21260.5 Ų60.592%0.92234%0.337SS*.SBendtrans-65.48178.8-63.3-176.8178.6-179.10115T141T141-K143 PolarHBondContact O-N 3.16Å
144D89.1Confident90.6Very high27 Ų2763.7 Ų63.714%0.14435%0.353CS..  trans-121.695.6175.6-176-22.4000109L142 K146 R147 A148L142-D144 PolarHBondContact O-N 3.09Å; D144-K146 PolarHBondContact O-N 2.87Å; D144-K146 WeakPolarHBondContact OD1-CA 3.41Å; D144-K146 WeakPolarHBondContact OD1-CB 3.01Å; D144-K146 PolarHBondContact OD1-N 3.03Å; D144-R147 HydrophobicContact CB-CB 4.19Å; D144-R147 HydrophobicContact CB-CG 4.27Å; D144-R147 PolarHBondContact O-N 3.08Å; D144-R147 PolarHBondContact OD1-N 3.49Å; D144-R147 WeakPolarHBondContact OD2-CD 3.25Å; D144-R147 VanDerWaalsContact OD2-CG 3.27Å; D144-R147 WeakPolarHBondContact OD2-CG 3.43Å; D144-R147 IonicContact OD2-NE 3.62Å; D144-R147 PolarHBondContact OD2-NE 2.92Å; D144-A148 PolarHBondContact O-N 3.44Å
145W92.1Very high90.5Very high24 Ų2466.5 Ų66.59%0.09137%0.367CS..Hα-helixtrans-65.8-26.9179.866.2-89.3000112.6F111 P114 I116 P130 V134 R147 A148 I149 L156 F167F111-W145 AromaticContact CE2-CH2 3.8Å; F111-W145 HydrophobicContact CE2-CH2 3.8Å; F111-W145 HydrophobicContact CE2-CZ3 4Å; F111-W145 HydrophobicContact CZ-CH2 4.04Å; F111-W145 HydrophobicContact CZ-CZ3 4.33Å; P114-W145 VanDerWaalsContact O-CZ2 3.32Å; P114-W145 WeakPolarHBondContact O-CZ2 3.3Å; I116-W145 HydrophobicContact CB-CZ2 4.26Å; I116-W145 HydrophobicContact CG1-CG 4.37Å; P130-W145 HydrophobicContact CB-CD2 4.14Å; P130-W145 HydrophobicContact CB-CE3 3.47Å; P130-W145 VanDerWaalsContact CB-CE3 3.47Å; P130-W145 HydrophobicContact CB-CZ3 3.7Å; P130-W145 HydrophobicContact CG-CE3 4.3Å; P130-W145 HydrophobicContact CG-CZ3 4.02Å; V134-W145 HydrophobicContact CG2-CB 4.11Å; W145-R147 VanDerWaalsContact C-N 3.3Å; W145-R147 PolarHBondContact O-N 3.11Å; W145-A148 PolarHBondContact O-N 3.4Å; W145-I149 HydrophobicContact CE3-CD1 4.14Å; W145-I149 WeakPolarHBondContact O-CG1 3.35Å; W145-I149 PolarHBondContact O-N 2.87Å; W145-I149 VanDerWaalsContact O-N 3.09Å; W145-L156 HydrophobicContact CE3-CD2 4.42Å; W145-L156 HydrophobicContact CZ3-CD2 3.84Å; W145-F167 HydrophobicContact CH2-CE1 4.24Å
146K92.4Very high90.5Very high9 Ų961 Ų614%0.03934%0.341CS..Hα-helixtrans-72.9-23176.8-60.8-175.7165.5-171.50112D144 L156 R157 M160 C178D144-K146 PolarHBondContact O-N 2.87Å; D144-K146 WeakPolarHBondContact OD1-CA 3.41Å; D144-K146 WeakPolarHBondContact OD1-CB 3.01Å; D144-K146 PolarHBondContact OD1-N 3.03Å; K146-L156 PolarHBondContact O-N 3.02Å; K146-R157 HydrophobicContact CB-CB 3.78Å; K146-R157 HydrophobicContact CB-CG 4.47Å; K146-R157 PolarHBondContact O-N 3.06Å; K146-M160 HydrophobicContact CD-SD 3.76Å; K146-M160 VanDerWaalsContact CE-SD 3.54Å; K146-M160 HydrophobicContact CG-SD 4.32Å; K146-C178 PolarHBondContact NZ-O 2.98Å
147R92.3Very high90.5Very high132 Ų13258.1 Ų58.150%0.49832%0.324SS..Hα-helixtrans-86.6-30.3168.1-71176.7-166.7-111.8-3.4113.4L142 D144 W145 M155L142-R147 HydrophobicContact CD2-CB 3.95Å; D144-R147 HydrophobicContact CB-CB 4.19Å; D144-R147 HydrophobicContact CB-CG 4.27Å; D144-R147 PolarHBondContact O-N 3.08Å; D144-R147 PolarHBondContact OD1-N 3.49Å; D144-R147 WeakPolarHBondContact OD2-CD 3.25Å; D144-R147 VanDerWaalsContact OD2-CG 3.27Å; D144-R147 WeakPolarHBondContact OD2-CG 3.43Å; D144-R147 IonicContact OD2-NE 3.62Å; D144-R147 PolarHBondContact OD2-NE 2.92Å; W145-R147 VanDerWaalsContact C-N 3.3Å; W145-R147 PolarHBondContact O-N 3.11Å; R147-M155 HydrophobicContact CG-SD 4.47Å
148A93.6Very high90.4Very high9 Ų964 Ų647%0.07435%0.347CS..Hα-helixtrans-69.8-37.5179.900000112.4C99 V134 K139 L142 D144 W145C99-A148 PolarHBondContact SG-O 2.82Å; V134-A148 HydrophobicContact CB-CB 4.47Å; V134-A148 HydrophobicContact CG1-CB 3.83Å; V134-A148 HydrophobicContact CG2-CB 3.73Å; K139-A148 HydrophobicContact CB-CB 4.31Å; L142-A148 HydrophobicContact CD2-CB 4Å; D144-A148 PolarHBondContact O-N 3.44Å; W145-A148 PolarHBondContact O-N 3.4Å
149I94.7Very high90.4Very high2 Ų261.9 Ų61.91%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-85.5142.5177.6-59.9178000110.7I97 T98 P130 F133 V134 W145 L156I97-I149 HydrophobicContact CB-CG2 3.84Å; I97-I149 HydrophobicContact CD1-CD1 4.5Å; I97-I149 HydrophobicContact CD1-CG2 3.9Å; I97-I149 HydrophobicContact CG1-CG2 4.47Å; I97-I149 HydrophobicContact CG2-CG2 3.9Å; T98-I149 CarbonylContact O-C 3.53Å; T98-I149 WeakPolarHBondContact O-CA 3.5Å; P130-I149 HydrophobicContact CB-CD1 3.84Å; F133-I149 HydrophobicContact CD1-CD1 3.97Å; F133-I149 HydrophobicContact CD1-CG1 4.08Å; F133-I149 HydrophobicContact CE1-CG1 4.31Å; V134-I149 HydrophobicContact CG2-CD1 4.04Å; V134-I149 HydrophobicContact CG2-CG1 3.69Å; W145-I149 HydrophobicContact CE3-CD1 4.14Å; W145-I149 WeakPolarHBondContact O-CG1 3.35Å; W145-I149 PolarHBondContact O-N 2.87Å; W145-I149 VanDerWaalsContact O-N 3.09Å; I149-L156 HydrophobicContact CB-CB 4.24Å; I149-L156 HydrophobicContact CB-CD2 4.18Å; I149-L156 HydrophobicContact CG2-CB 4.24Å; I149-L156 HydrophobicContact CG2-CD2 4.07Å; I149-L156 WeakPolarHBondContact O-CB 3.35Å; I149-L156 PolarHBondContact O-N 2.9Å
150R94.6Very high90.5Very high103 Ų10358.7 Ų58.739%0.38931%0.31SS..EExtended strand (participates in β ladder)trans-129.4146.5178.4-68.3171.7180-94.1-1112.1I97 T98 G153 I154I97-R150 CarbonylContact C-O 3.43Å; I97-R150 VanDerWaalsContact CA-O 3.24Å; I97-R150 WeakPolarHBondContact CA-O 3.14Å; T98-R150 PolarHBondContact N-O 3.32Å; T98-R150 PolarHBondContact O-N 3.37Å; R150-G153 WeakPolarHBondContact CD-O 3.26Å; R150-G153 PolarHBondContact NH1-O 3.48Å; R150-I154 CarbonylContact C-O 3.51Å; R150-I154 WeakPolarHBondContact CA-O 3.34Å; R150-I154 WeakPolarHBondContact CB-O 3.39Å
151L93.3Very high90.6Very high12 Ų1261 Ų616%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-117.6121172.2-79.1167.9000107.9Y95 I97 G153 I154 L156 M159 I165Y95-L151 HydrophobicContact CG-CD2 4.4Å; I97-L151 HydrophobicContact CG2-CD2 3.37Å; I97-L151 HydrophobicContact CG2-CG 3.86Å; L151-G153 PolarHBondContact O-N 3.3Å; L151-I154 PolarHBondContact N-O 2.87Å; L151-I154 WeakPolarHBondContact O-CA 3.43Å; L151-I154 WeakPolarHBondContact O-CB 3.39Å; L151-I154 PolarHBondContact O-N 2.79Å; L151-L156 HydrophobicContact CD1-CD1 3.61Å; L151-L156 HydrophobicContact CG-CD1 4.38Å; L151-M159 HydrophobicContact CB-CG 4.32Å; L151-M159 HydrophobicContact CD1-CB 4.29Å; L151-M159 HydrophobicContact CD1-CG 4.25Å; L151-I165 HydrophobicContact CD1-CD1 3.93Å; L151-I165 HydrophobicContact CD1-CG2 3.55Å
152G88.4Confident90.7Very high70 Ų7057.8 Ų57.872%0.72230%0.301SS*.THydrogen-bonded Turntrans53.629.3-175.500000113.7I154G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 3.28Å
153G89.4Confident90.7Very high42 Ų4256.5 Ų56.543%0.43331%0.307SS..THydrogen-bonded Turntrans82.2-18.2-172.400000115.8R150 L151R150-G153 WeakPolarHBondContact CD-O 3.26Å; R150-G153 PolarHBondContact NH1-O 3.48Å; L151-G153 PolarHBondContact O-N 3.3Å
154I92Very high90.6Very high66 Ų6652.3 Ų52.334%0.33829%0.291SS..EExtended strand (participates in β ladder)trans-76.2137.2176.8-53.1175.5000109.6R150 L151 G152 L156 K158 M159R150-I154 CarbonylContact C-O 3.51Å; R150-I154 WeakPolarHBondContact CA-O 3.34Å; R150-I154 WeakPolarHBondContact CB-O 3.39Å; L151-I154 PolarHBondContact N-O 2.87Å; L151-I154 WeakPolarHBondContact O-CA 3.43Å; L151-I154 WeakPolarHBondContact O-CB 3.39Å; L151-I154 PolarHBondContact O-N 2.79Å; G152-I154 VanDerWaalsContact C-N 3.27Å; G152-I154 PolarHBondContact O-N 3.28Å; I154-L156 PolarHBondContact O-N 3.44Å; I154-K158 HydrophobicContact CG2-CB 4.15Å; I154-K158 HydrophobicContact CG2-CD 4.16Å; I154-K158 HydrophobicContact CG2-CG 4.37Å; I154-M159 HydrophobicContact CB-CG 4.21Å; I154-M159 HydrophobicContact CB-SD 3.94Å; I154-M159 HydrophobicContact CD1-SD 3.82Å; I154-M159 HydrophobicContact CG1-SD 4.48Å; I154-M159 HydrophobicContact CG2-CG 3.9Å; I154-M159 HydrophobicContact CG2-SD 3.69Å
155M92.9Very high90.6Very high66 Ų6651.3 Ų51.333%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-60.2132.4176.7-68.6174.1-73.300111.1R147 R157 K158 M159R147-M155 HydrophobicContact CG-SD 4.47Å; M155-R157 PolarHBondContact O-N 3.25Å; M155-K158 WeakPolarHBondContact O-CB 3.46Å; M155-K158 PolarHBondContact O-N 2.99Å; M155-M159 PolarHBondContact O-N 3.4Å
156L92.9Very high90.5Very high1 Ų152.5 Ų52.51%0.00529%0.294CS..Hα-helixtrans-52.6-42.5-17917562.4000111.3L106 F111 W145 K146 I149 L151 I154 K158 M159 M160 I165L106-L156 HydrophobicContact CD2-CD1 4.49Å; F111-L156 HydrophobicContact CZ-CD2 4.33Å; W145-L156 HydrophobicContact CE3-CD2 4.42Å; W145-L156 HydrophobicContact CZ3-CD2 3.84Å; K146-L156 PolarHBondContact O-N 3.02Å; I149-L156 HydrophobicContact CB-CB 4.24Å; I149-L156 HydrophobicContact CB-CD2 4.18Å; I149-L156 HydrophobicContact CG2-CB 4.24Å; I149-L156 HydrophobicContact CG2-CD2 4.07Å; I149-L156 WeakPolarHBondContact O-CB 3.35Å; I149-L156 PolarHBondContact O-N 2.9Å; L151-L156 HydrophobicContact CD1-CD1 3.61Å; L151-L156 HydrophobicContact CG-CD1 4.38Å; I154-L156 PolarHBondContact O-N 3.44Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 2.95Å; L156-M159 WeakPolarHBondContact O-CB 3.37Å; L156-M159 PolarHBondContact O-N 3.42Å; L156-M160 HydrophobicContact CD1-CG 4.29Å; L156-M160 HydrophobicContact CG-CG 4.38Å; L156-M160 HydrophobicContact CG-SD 4.3Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 3.46Å; L156-I165 HydrophobicContact CD1-CG2 4.18Å
157R91.8Very high90.5Very high24 Ų2452.3 Ų52.39%0.09129%0.293CS..Hα-helixtrans-50.1-45.5174.7-175.961.4-160.3-111.43.4112.6K146 M155 M159 M160 D161 S180 D184K146-R157 HydrophobicContact CB-CB 3.78Å; K146-R157 HydrophobicContact CB-CG 4.47Å; K146-R157 PolarHBondContact O-N 3.06Å; M155-R157 PolarHBondContact O-N 3.25Å; R157-M159 VanDerWaalsContact C-N 3.34Å; R157-M159 PolarHBondContact O-N 3.47Å; R157-M160 PolarHBondContact O-N 3.16Å; R157-D161 WeakPolarHBondContact CG-OD2 3.48Å; R157-D161 IonicContact CZ-OD1 3.18Å; R157-D161 IonicContact NE-OD1 2.69Å; R157-D161 PolarHBondContact NE-OD1 2.97Å; R157-D161 IonicContact NE-OD2 2.73Å; R157-D161 PolarHBondContact NE-OD2 3.18Å; R157-D161 VanDerWaalsContact NE-OD2 3.16Å; R157-D161 IonicContact NH2-OD1 2.89Å; R157-D161 PolarHBondContact NH2-OD1 2.94Å; R157-D161 WeakPolarHBondContact O-CB 3.43Å; R157-D161 PolarHBondContact O-N 3.39Å; R157-D161 VanDerWaalsContact O-OD2 3.08Å; R157-S180 PolarHBondContact NH1-O 2.9Å; R157-D184 IonicContact CZ-OD2 3.63Å; R157-D184 IonicContact NH1-OD2 3.51Å; R157-D184 IonicContact NH2-OD1 3.37Å; R157-D184 PolarHBondContact NH2-OD1 3.14Å; R157-D184 IonicContact NH2-OD2 2.76Å; R157-D184 PolarHBondContact NH2-OD2 3.06Å
158K90.9Very high90.4Very high137 Ų13749.4 Ų49.460%0.59628%0.283SS*.Hα-helixtrans-68.8-31.2179.7-174.4177.1178.6-175.80112.6I154 M155 L156 S162I154-K158 HydrophobicContact CG2-CB 4.15Å; I154-K158 HydrophobicContact CG2-CD 4.16Å; I154-K158 HydrophobicContact CG2-CG 4.37Å; M155-K158 WeakPolarHBondContact O-CB 3.46Å; M155-K158 PolarHBondContact O-N 2.99Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 2.95Å; K158-S162 WeakPolarHBondContact O-CB 3.27Å; K158-S162 PolarHBondContact O-N 3.14Å; K158-S162 VanDerWaalsContact O-N 3.1Å; K158-S162 PolarHBondContact O-OG 3.12Å
159M90.5Very high90.1Very high10 Ų1052.6 Ų52.65%0.04930%0.296CS..Hα-helixtrans-74.8-28.6175.6-57.7-67.8-68.500112.3V68 L151 I154 M155 L156 R157 S162 Q164 I165V68-M159 HydrophobicContact CG2-CE 4.27Å; L151-M159 HydrophobicContact CB-CG 4.32Å; L151-M159 HydrophobicContact CD1-CB 4.29Å; L151-M159 HydrophobicContact CD1-CG 4.25Å; I154-M159 HydrophobicContact CB-CG 4.21Å; I154-M159 HydrophobicContact CB-SD 3.94Å; I154-M159 HydrophobicContact CD1-SD 3.82Å; I154-M159 HydrophobicContact CG1-SD 4.48Å; I154-M159 HydrophobicContact CG2-CG 3.9Å; I154-M159 HydrophobicContact CG2-SD 3.69Å; M155-M159 PolarHBondContact O-N 3.4Å; L156-M159 WeakPolarHBondContact O-CB 3.37Å; L156-M159 PolarHBondContact O-N 3.42Å; R157-M159 VanDerWaalsContact C-N 3.34Å; R157-M159 PolarHBondContact O-N 3.47Å; M159-S162 PolarHBondContact O-OG 3.13Å; M159-S162 VanDerWaalsContact O-OG 3.09Å; M159-Q164 HydrophobicContact CE-CB 4.11Å; M159-Q164 PolarHBondContact O-N 2.73Å; M159-Q164 VanDerWaalsContact O-N 3.12Å; M159-I165 HydrophobicContact CB-CG2 3.49Å; M159-I165 VanDerWaalsContact CB-CG2 3.49Å; M159-I165 PolarHBondContact O-N 3.01Å; M159-I165 VanDerWaalsContact O-N 3.13Å
160M91.2Very high89.8Confident13 Ų1353.8 Ų53.86%0.06430%0.302CS..Hα-helixtrans-74-48.2169.8-58-177.381.500111.3F111 K146 L156 R157 S162 G163 I165 D166 F167F111-M160 HydrophobicContact CE1-CE 3.88Å; F111-M160 HydrophobicContact CE1-SD 4.47Å; F111-M160 HydrophobicContact CZ-CE 3.93Å; F111-M160 HydrophobicContact CZ-SD 4.19Å; K146-M160 HydrophobicContact CD-SD 3.76Å; K146-M160 VanDerWaalsContact CE-SD 3.54Å; K146-M160 HydrophobicContact CG-SD 4.32Å; L156-M160 HydrophobicContact CD1-CG 4.29Å; L156-M160 HydrophobicContact CG-CG 4.38Å; L156-M160 HydrophobicContact CG-SD 4.3Å; L156-M160 WeakPolarHBondContact O-CG 3.32Å; L156-M160 PolarHBondContact O-N 3.46Å; R157-M160 PolarHBondContact O-N 3.16Å; M160-S162 PolarHBondContact O-N 3.49Å; M160-G163 PolarHBondContact O-N 3Å; M160-I165 VanDerWaalsContact CA-O 3.23Å; M160-I165 WeakPolarHBondContact CA-O 3.41Å; M160-I165 VanDerWaalsContact CG-O 3.28Å; M160-I165 WeakPolarHBondContact CG-O 3.43Å; M160-D166 VanDerWaalsContact CE-OD1 3.28Å; M160-D166 WeakPolarHBondContact CE-OD1 3.25Å; M160-F167 HydrophobicContact CE-CD1 4.11Å; M160-F167 HydrophobicContact CE-CD2 3.68Å; M160-F167 HydrophobicContact CE-CE1 3.88Å; M160-F167 HydrophobicContact CE-CE2 3.45Å; M160-F167 VanDerWaalsContact CE-CE2 3.45Å; M160-F167 HydrophobicContact CE-CG 4.04Å; M160-F167 HydrophobicContact CE-CZ 3.59Å
161D87.7Confident89.2Confident105 Ų10555 Ų5556%0.56132%0.316SS*.Hα-helixtrans-62.8-24.2179.4-61.1-33000112.1R157R157-D161 WeakPolarHBondContact CG-OD2 3.48Å; R157-D161 IonicContact CZ-OD1 3.18Å; R157-D161 IonicContact NE-OD1 2.69Å; R157-D161 PolarHBondContact NE-OD1 2.97Å; R157-D161 IonicContact NE-OD2 2.73Å; R157-D161 PolarHBondContact NE-OD2 3.18Å; R157-D161 VanDerWaalsContact NE-OD2 3.16Å; R157-D161 IonicContact NH2-OD1 2.89Å; R157-D161 PolarHBondContact NH2-OD1 2.94Å; R157-D161 WeakPolarHBondContact O-CB 3.43Å; R157-D161 PolarHBondContact O-N 3.39Å; R157-D161 VanDerWaalsContact O-OD2 3.08Å
162S86.4Confident88.8Confident65 Ų6560.1 Ų60.146%0.45534%0.337SS..THydrogen-bonded Turntrans-87.8-6.1173.369.80000114.8K158 M159 M160 Q164K158-S162 WeakPolarHBondContact O-CB 3.27Å; K158-S162 PolarHBondContact O-N 3.14Å; K158-S162 VanDerWaalsContact O-N 3.1Å; K158-S162 PolarHBondContact O-OG 3.12Å; M159-S162 PolarHBondContact O-OG 3.13Å; M159-S162 VanDerWaalsContact O-OG 3.09Å; M160-S162 PolarHBondContact O-N 3.49Å; S162-Q164 PolarHBondContact O-N 2.73Å
163G83.1Confident88.6Confident57 Ų5759.8 Ų59.859%0.58832%0.322SS*.THydrogen-bonded Turntrans716.8-176.200000115.5M160M160-G163 PolarHBondContact O-N 3Å
164Q83.4Confident88.6Confident125 Ų12560.3 Ų60.358%0.58432%0.318SS*.SBendtrans-74.6-26.1178.8-70.8-178.2-700113M159 S162M159-Q164 HydrophobicContact CE-CB 4.11Å; M159-Q164 PolarHBondContact O-N 2.73Å; M159-Q164 VanDerWaalsContact O-N 3.12Å; S162-Q164 PolarHBondContact O-N 2.73Å
165I89.1Confident88.2Confident6 Ų659.3 Ų59.33%0.03132%0.317CS..SBendtrans-151.3105.8167-172.1-175.8000108.8Y95 L106 L151 L156 M159 M160Y95-I165 HydrophobicContact CD2-CD1 3.38Å; Y95-I165 HydrophobicContact CD2-CG1 4.34Å; Y95-I165 HydrophobicContact CE2-CD1 3.51Å; Y95-I165 HydrophobicContact CE2-CG1 3.97Å; Y95-I165 HydrophobicContact CG-CD1 3.98Å; L106-I165 HydrophobicContact CD2-CD1 3.87Å; L151-I165 HydrophobicContact CD1-CD1 3.93Å; L151-I165 HydrophobicContact CD1-CG2 3.55Å; L156-I165 HydrophobicContact CD1-CG2 4.18Å; M159-I165 HydrophobicContact CB-CG2 3.49Å; M159-I165 VanDerWaalsContact CB-CG2 3.49Å; M159-I165 PolarHBondContact O-N 3.01Å; M159-I165 VanDerWaalsContact O-N 3.13Å; M160-I165 VanDerWaalsContact CA-O 3.23Å; M160-I165 WeakPolarHBondContact CA-O 3.41Å; M160-I165 VanDerWaalsContact CG-O 3.28Å; M160-I165 WeakPolarHBondContact CG-O 3.43Å
166D90.3Very high87.8Confident48 Ų4862.9 Ų62.926%0.25734%0.337SS..  trans-107.8-179.8169.9-154.7-6.5000110.2W108 M160 H170W108-D166 PolarHBondContact NE1-O 3.23Å; M160-D166 VanDerWaalsContact CE-OD1 3.28Å; M160-D166 WeakPolarHBondContact CE-OD1 3.25Å; D166-H170 IonicContact OD1-CE1 3.16Å; D166-H170 IonicContact OD1-CG 3.44Å; D166-H170 IonicContact OD1-ND1 2.79Å; D166-H170 PolarHBondContact OD1-ND1 3.36Å; D166-H170 VanDerWaalsContact OD1-ND1 3.16Å; D166-H170 IonicContact OD2-CE1 3.74Å; D166-H170 IonicContact OD2-CG 3.98Å; D166-H170 IonicContact OD2-ND1 3.16Å; D166-H170 PolarHBondContact OD2-ND1 3.17Å
167F92.1Very high87.4Confident6 Ų668 Ų683%0.02637%0.369CS..  trans-58.4146.5173-56.3-74000111.5F111 C113 P114 W145 M160 Q169 H170 C178F111-F167 AromaticContact CD1-CD1 3.89Å; F111-F167 HydrophobicContact CD1-CD1 3.89Å; F111-F167 HydrophobicContact CD2-CD1 4.2Å; F111-F167 HydrophobicContact CD2-CE1 4.46Å; F111-F167 AromaticContact CE1-CD1 3.6Å; F111-F167 HydrophobicContact CE1-CD1 3.6Å; F111-F167 HydrophobicContact CE1-CE1 4.03Å; F111-F167 HydrophobicContact CE1-CG 4.27Å; F111-F167 AromaticContact CE2-CD1 3.95Å; F111-F167 HydrophobicContact CE2-CD1 3.95Å; F111-F167 AromaticContact CE2-CE1 3.83Å; F111-F167 HydrophobicContact CE2-CE1 3.83Å; F111-F167 HydrophobicContact CG-CD1 4.19Å; F111-F167 AromaticContact CZ-CD1 3.64Å; F111-F167 HydrophobicContact CZ-CD1 3.64Å; F111-F167 AromaticContact CZ-CE1 3.59Å; F111-F167 HydrophobicContact CZ-CE1 3.59Å; F111-F167 CarbonylContact O-C 3.49Å; F111-F167 WeakPolarHBondContact O-CA 3.24Å; F111-F167 WeakPolarHBondContact O-CB 3.45Å; C113-F167 HydrophobicContact CB-CB 4.07Å; C113-F167 HydrophobicContact CB-CD1 4.37Å; C113-F167 HydrophobicContact CB-CD2 3.78Å; C113-F167 HydrophobicContact CB-CE2 4.19Å; C113-F167 HydrophobicContact CB-CG 3.84Å; P114-F167 VanDerWaalsContact C-CE1 3.43Å; P114-F167 WeakPolarHBondContact O-CE1 3.33Å; P114-F167 WeakPolarHBondContact O-CZ 3.36Å; W145-F167 HydrophobicContact CH2-CE1 4.24Å; M160-F167 HydrophobicContact CE-CD1 4.11Å; M160-F167 HydrophobicContact CE-CD2 3.68Å; M160-F167 HydrophobicContact CE-CE1 3.88Å; M160-F167 HydrophobicContact CE-CE2 3.45Å; M160-F167 VanDerWaalsContact CE-CE2 3.45Å; M160-F167 HydrophobicContact CE-CG 4.04Å; M160-F167 HydrophobicContact CE-CZ 3.59Å; F167-Q169 PolarHBondContact O-N 3.18Å; F167-H170 HydrophobicContact CB-CB 4.01Å; F167-H170 AromaticContact CD2-CD2 3.79Å; F167-H170 AromaticContact CD2-CE1 3.68Å; F167-H170 AromaticContact CD2-CG 3.87Å; F167-H170 AromaticContact CD2-ND1 3.82Å; F167-H170 AromaticContact CD2-NE2 3.64Å; F167-H170 PolarHBondContact O-N 2.69Å; F167-C178 HydrophobicContact CE2-CB 3.61Å; F167-C178 HydrophobicContact CZ-CB 3.98Å
168Y90Very high87Confident70 Ų7067.1 Ų67.128%0.27537%0.366SS..THydrogen-bonded Turntrans-61.1123.5173.8-174.4-106.8000110W108 F111 H170W108-Y168 HydrophobicContact CE3-CD2 4.44Å; W108-Y168 HydrophobicContact CH2-CD2 4.33Å; W108-Y168 HydrophobicContact CZ2-CD2 4.42Å; W108-Y168 HydrophobicContact CZ3-CD2 4.34Å; W108-Y168 WeakPolarHBondContact O-CB 3.33Å; F111-Y168 PolarHBondContact O-N 3.45Å; Y168-H170 VanDerWaalsContact C-N 3.33Å; Y168-H170 PolarHBondContact O-N 2.99Å
169Q87.4Confident86.5Confident76 Ų7667.2 Ų67.236%0.35536%0.363SS..THydrogen-bonded Turntrans54.538-175.5-55-177.314.700114.7F167 D171 K172 V173F167-Q169 PolarHBondContact O-N 3.18Å; Q169-D171 WeakPolarHBondContact CA-OD1 3.39Å; Q169-D171 PolarHBondContact O-N 2.98Å; Q169-D171 VanDerWaalsContact O-N 3.12Å; Q169-K172 PolarHBondContact O-N 2.8Å; Q169-V173 HydrophobicContact CB-CG2 4.42Å; Q169-V173 PolarHBondContact O-N 3.28Å
170H88.6Confident85.1Confident28 Ų2868.5 Ų68.513%0.1337%0.373CS..THydrogen-bonded Turntrans-58.9-24-179.2-163.4-164.2000114.5D166 F167 Y168 K172 C178D166-H170 IonicContact OD1-CE1 3.16Å; D166-H170 IonicContact OD1-CG 3.44Å; D166-H170 IonicContact OD1-ND1 2.79Å; D166-H170 PolarHBondContact OD1-ND1 3.36Å; D166-H170 VanDerWaalsContact OD1-ND1 3.16Å; D166-H170 IonicContact OD2-CE1 3.74Å; D166-H170 IonicContact OD2-CG 3.98Å; D166-H170 IonicContact OD2-ND1 3.16Å; D166-H170 PolarHBondContact OD2-ND1 3.17Å; F167-H170 HydrophobicContact CB-CB 4.01Å; F167-H170 AromaticContact CD2-CD2 3.79Å; F167-H170 AromaticContact CD2-CE1 3.68Å; F167-H170 AromaticContact CD2-CG 3.87Å; F167-H170 AromaticContact CD2-ND1 3.82Å; F167-H170 AromaticContact CD2-NE2 3.64Å; F167-H170 PolarHBondContact O-N 2.69Å; Y168-H170 VanDerWaalsContact C-N 3.33Å; Y168-H170 PolarHBondContact O-N 2.99Å; H170-K172 VanDerWaalsContact C-N 3.29Å; H170-K172 PolarHBondContact O-N 2.72Å; H170-C178 PolarHBondContact NE2-SG 3.38Å
171D82.4Confident83Confident128 Ų12873.1 Ų73.168%0.68440%0.402SS*.THydrogen-bonded Turntrans-64.4-29.7173.860-47.5000113.2Q169Q169-D171 WeakPolarHBondContact CA-OD1 3.39Å; Q169-D171 PolarHBondContact O-N 2.98Å; Q169-D171 VanDerWaalsContact O-N 3.12Å
172K84.3Confident81.1Confident119 Ų11977.9 Ų77.952%0.51742%0.417SS..THydrogen-bonded Turntrans-111.9-31.4-176.9-65.9166.9-169-177.50112.7Q169 H170Q169-K172 PolarHBondContact O-N 2.8Å; H170-K172 VanDerWaalsContact C-N 3.29Å; H170-K172 PolarHBondContact O-N 2.72Å
173V83.4Confident79.2Confident64 Ų6481.4 Ų81.439%0.38843%0.425SS..  trans-119.782.1-175.1-170.50000108.4V112 C113 Q169V112-V173 HydrophobicContact CG1-CB 4.41Å; V112-V173 HydrophobicContact CG1-CG1 3.66Å; C113-V173 WeakPolarHBondContact CB-O 3.35Å; Q169-V173 HydrophobicContact CB-CG2 4.42Å; Q169-V173 PolarHBondContact O-N 3.28Å
174C89.4Confident77.5Confident52 Ų5279.8 Ų79.835%0.35140%0.403SS..  trans-118.5126.8174.2-174.90000110.8N176C174-N176 VanDerWaalsContact C-N 3.29Å; C174-N176 PolarHBondContact O-N 2.67Å; C174-N176 PolarHBondContact SG-N 3.33Å; C174-N176 VanDerWaalsContact SG-N 3.35Å; C174-N176 PolarHBondContact SG-OD1 3.31Å
175S85Confident76Confident46 Ų4680.4 Ų80.432%0.32241%0.409SS..  trans-87.55.7176.370.10000113.9C113 P114 T177C113-S175 PolarHBondContact SG-N 2.76Å; P114-S175 WeakPolarHBondContact CB-OG 3.47Å; P114-S175 WeakPolarHBondContact CD-OG 3.42Å; S175-T177 PolarHBondContact O-N 2.79Å; S175-T177 PolarHBondContact O-OG1 3.13Å; S175-T177 PolarHBondContact OG-OG1 2.89Å
176N83.3Confident74.2Confident141 Ų14185.9 Ų85.975%0.75444%0.438SS*.SBendtrans53.5-8.1-174.5-66.7-40.8000117.3C174C174-N176 VanDerWaalsContact C-N 3.29Å; C174-N176 PolarHBondContact O-N 2.67Å; C174-N176 PolarHBondContact SG-N 3.33Å; C174-N176 VanDerWaalsContact SG-N 3.35Å; C174-N176 PolarHBondContact SG-OD1 3.31Å
177T84.6Confident72.4Confident108 Ų10888 Ų8866%0.66345%0.449SS*.  trans-94.40.3179.7440000113.3S175S175-T177 PolarHBondContact O-N 2.79Å; S175-T177 PolarHBondContact O-OG1 3.13Å; S175-T177 PolarHBondContact OG-OG1 2.89Å
178C83.8Confident70.2Confident6 Ų690.6 Ų90.64%0.04147%0.467CS..  trans-84.3-17.8-171.572.10000114.8C113 P114 K146 F167 H170C113-C178 WeakPolarHBondContact SG-CB 3.19Å; C113-C178 VanDerWaalsContact SG-SG 3.61Å; P114-C178 HydrophobicContact CB-CB 3.96Å; K146-C178 PolarHBondContact NZ-O 2.98Å; F167-C178 HydrophobicContact CE2-CB 3.61Å; F167-C178 HydrophobicContact CZ-CB 3.98Å; H170-C178 PolarHBondContact NE2-SG 3.38Å
179R80.8Confident67.9Low139 Ų13990.8 Ų90.853%0.52548%0.479SS..SBendtrans-89.2106.6175.6-70.9-169.7175.3-139-7109.2S188R179-S188 PolarHBondContact NH1-OG 3.27Å
180S60.3Low65.7Low37 Ų3791.4 Ų91.426%0.25950%0.497SS..  trans-84.4120.7-172.3-46.80000111.1R157R157-S180 PolarHBondContact NH1-O 2.9Å
181T47.9Very low63.9Low110 Ų110100.7 Ų100.768%0.67553%0.531SS*.SBendtrans89.7146.917375.70000118.2F183 D184T181-F183 PolarHBondContact O-N 3.25Å; T181-D184 PolarHBondContact O-N 3.33Å
182K48.3Very low61.5Low204 Ų20499 Ų9989%0.88754%0.535SS*.THydrogen-bonded Turntrans-54.3-6.7-172.1-175.1174176.3178.10116.7
183F45.5Very low59.4Low140 Ų14097.3 Ų97.361%0.61454%0.536SS*.THydrogen-bonded Turntrans-93.4-26.8-173.4-154.7-96.6000113.3T181 L185 L186 I187T181-F183 PolarHBondContact O-N 3.25Å; F183-L185 PolarHBondContact O-N 2.95Å; F183-L185 VanDerWaalsContact O-N 3.12Å; F183-L186 PolarHBondContact O-N 2.98Å; F183-L186 VanDerWaalsContact O-N 3.16Å; F183-I187 HydrophobicContact CD1-CD1 4.46Å
184D48.1Very low57.4Low22 Ų22100.7 Ų100.712%0.11856%0.556CS.*Hα-helixtrans-65-19.1-173.7-74.6-24.7000113.8R157 T181 L186 I187 S188R157-D184 IonicContact CZ-OD2 3.63Å; R157-D184 IonicContact NH1-OD2 3.51Å; R157-D184 IonicContact NH2-OD1 3.37Å; R157-D184 PolarHBondContact NH2-OD1 3.14Å; R157-D184 IonicContact NH2-OD2 2.76Å; R157-D184 PolarHBondContact NH2-OD2 3.06Å; T181-D184 PolarHBondContact O-N 3.33Å; D184-L186 PolarHBondContact O-N 3.33Å; D184-I187 PolarHBondContact O-N 3.2Å; D184-I187 VanDerWaalsContact O-N 3.08Å; D184-S188 PolarHBondContact O-N 3.03Å; D184-S188 PolarHBondContact O-OG 2.87Å
185L51.2Low54.9Low139 Ų139104.4 Ų104.473%0.72858%0.579SS**Hα-helixtrans-59.7-31.8174.9-65.9175.5000112.6F183 S189F183-L185 PolarHBondContact O-N 2.95Å; F183-L185 VanDerWaalsContact O-N 3.12Å; L185-S189 PolarHBondContact O-N 3.4Å
186L52.3Low52.7Low120 Ų120105.4 Ų105.463%0.62860%0.597SS**Hα-helixtrans-76.6-31175.9-63.3174.4000111.9F183 D184 S189 A190F183-L186 PolarHBondContact O-N 2.98Å; F183-L186 VanDerWaalsContact O-N 3.16Å; D184-L186 PolarHBondContact O-N 3.33Å; L186-S189 VanDerWaalsContact O-CB 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.86Å; L186-A190 PolarHBondContact O-N 2.7Å
187I51.5Low50.6Low94 Ų94106.9 Ų106.948%0.48260%0.599SS.*Hα-helixtrans-78.6-32.2178.4-57.1178.5000110.5F183 D184 S189 A190 R191F183-I187 HydrophobicContact CD1-CD1 4.46Å; D184-I187 PolarHBondContact O-N 3.2Å; D184-I187 VanDerWaalsContact O-N 3.08Å; I187-S189 PolarHBondContact O-N 2.81Å; I187-A190 WeakPolarHBondContact O-CB 3.33Å; I187-A190 PolarHBondContact O-N 3.25Å; I187-R191 PolarHBondContact O-N 2.9Å
188S46.2Very low48.4Very low59 Ų59111.2 Ų111.241%0.41361%0.612SS.*Hα-helixtrans-61.9-18.7165.3-65.60000113.4R179 D184R179-S188 PolarHBondContact NH1-OG 3.27Å; D184-S188 PolarHBondContact O-N 3.03Å; D184-S188 PolarHBondContact O-OG 2.87Å
189S41Very low46.2Very low75 Ų75117 Ų11752%0.52465%0.648SS.*Hα-helixtrans-86.6-19.5171.6-158.30000112.9L185 L186 I187 P193L185-S189 PolarHBondContact O-N 3.4Å; L186-S189 VanDerWaalsContact O-CB 3.32Å; L186-S189 WeakPolarHBondContact O-CB 3.48Å; L186-S189 PolarHBondContact O-N 2.86Å; I187-S189 PolarHBondContact O-N 2.81Å; S189-P193 WeakPolarHBondContact O-CD 3.04Å
190A42.8Very low43.9Very low88 Ų88115.8 Ų115.873%0.72766%0.66SS**Hα-helixtrans-83.2-13.8175.300000113.4L186 I187L186-A190 PolarHBondContact O-N 2.7Å; I187-A190 WeakPolarHBondContact O-CB 3.33Å; I187-A190 PolarHBondContact O-N 3.25Å
191R49.7Very low43Very low223 Ų223119.9 Ų119.984%0.84268%0.683SS**SBendtrans-95.1107.4161.8-169.1168.8-173.2145-0.2107I187I187-R191 PolarHBondContact O-N 2.9Å
192A32.8Very low42.2Very low93 Ų93120.5 Ų120.577%0.76969%0.687SS**  trans-39.8117.2-161.800000114.9
193P39Very low41.5Very low83 Ų83119 Ų11954%0.53968%0.683SS.*  trans-64.3138.3165.5-19.832.7000110.8S189S189-P193 WeakPolarHBondContact O-CD 3.04Å
194V42.6Very low40.7Very low136 Ų136118 Ų11882%0.82469%0.689SS**  trans-66133.3160.8179.60000107.3G196V194-G196 PolarHBondContact O-N 2.68Å; V194-G196 VanDerWaalsContact O-N 3.16Å
195P36.5Very low40.1Very low129 Ų129123.1 Ų123.184%0.83872%0.723SS**SBendtrans-73.8109-170.828.4-34.7000111.4
196G39.6Very low39.1Very low67 Ų67123.1 Ų123.169%0.69173%0.729SS**  trans178.527-177.700000120.5V194V194-G196 PolarHBondContact O-N 2.68Å; V194-G196 VanDerWaalsContact O-N 3.16Å
197Q38.7Very low38.1Very low172 Ų172122.8 Ų122.880%0.80474%0.737SS**  trans-164.9136.1156.7-114.2163.128.800113.5
198Q37.4Very low37.3Very low200 Ų200123.1 Ų123.194%0.93575%0.753SS**  trans-114103.4174.4-59.8178.72800108.8
199T38.6Very low36.5Very low128 Ų128128.5 Ų128.579%0.78578%0.778SS**  trans-94.3118.1177.538.60000111.4
200S31.6Very low35.9Very low113 Ų113128.1 Ų128.179%0.7979%0.786SS**  trans-69.8142.5-176.9-171.30000112.5V202S200-V202 PolarHBondContact O-N 3.29Å
201V41.5Very low35Very low122 Ų122129.8 Ų129.874%0.73979%0.792SS**  trans-84.9103-178.9-177.30000110.3Q203V201-Q203 HydrophobicContact CG1-CG 4.21Å
202V32Very low34.2Very low124 Ų124126.4 Ų126.475%0.75279%0.789SS**  trans-94.3115.4167.2-179.10000109.4S200S200-V202 PolarHBondContact O-N 3.29Å
203Q32.1Very low34.1Very low172 Ų172127.9 Ų127.980%0.80479%0.788SS**  trans-93135.2170.7-62.7179.3-7.400109.8V201V201-Q203 HydrophobicContact CG1-CG 4.21Å
204T29.6Very low33.6Very low120 Ų120132.5 Ų132.574%0.73680%0.803SS**  trans-125.9131.6165.8440000109.9
205P36.5Very low33.1Very low128 Ų128133.4 Ų133.483%0.83180%0.801SS**  trans-84.2137.8177.432.9-32.8000111
206T29.7Very low32.5Very low139 Ų139132 Ų13285%0.85380%0.8SS**  trans-112.5113.9169.3-59.90000109.3
207S30.7Very low31.9Very low114 Ų114135.6 Ų135.680%0.79780%0.802SS**  trans-72.1151.7167.6-620000110.5
208A34.3Very low31.3Very low100 Ų100133.4 Ų133.483%0.82681%0.806SS**  trans-81.8142.2176.500000112
209D29Very low30.8Very low173 Ų173132.6 Ų132.693%0.92580%0.802SS**  -151.2166.1122.2-137.3-27.2000110.2
210G28.6Very low30.4Very low67 Ų67136 Ų13669%0.69181%0.809SS**  trans-122.7157.5-16800000116.2
211S25.3Very low30.1Very low122 Ų122134.9 Ų134.985%0.85380%0.801SS**  trans-156165.3161.2-164.60000112
212I31.9Very low29.4Very low153 Ų153136.7 Ų136.779%0.78580%0.803SS**  trans-128.4122.4-172-64.8165.9000111
213T30.5Very low29.3Very low123 Ų123138.9 Ų138.976%0.75581%0.805SS**  trans-163119.5151.122.30000106.7
214Q28.4Very low29.4Very low181 Ų181140.2 Ų140.285%0.84681%0.812SS**  100.715666.3-88.5-168.2-19.600112.4
215I31.6Very low29.3Very low155 Ų155139.4 Ų139.480%0.79582%0.817SS**  trans-105.8140.1-161.3-60.2162.7000109.8I217I215-I217 HydrophobicContact CG2-CG1 4.06Å
216A24.3Very low28.9Very low98 Ų98136.5 Ų136.581%0.8181%0.811SS**  trans-127.2134.7157.100000109
217I27.2Very low29.6Very low144 Ų144138.6 Ų138.674%0.73882%0.816SS**  trans-115.5132170.2-59.4170000105.3I215I215-I217 HydrophobicContact CG2-CG1 4.06Å
218S25.8Very low29.9Very low125 Ų125139.8 Ų139.887%0.87481%0.809SS**  trans-122.5137.7165.2-660000108.5
219E27.7Very low30.3Very low184 Ų184147 Ų14786%0.8681%0.814SS**  trans-130.5122.4-174.1-179.6175.3-177.800106.8
220E29.3Very low31Very low200 Ų200143.7 Ų143.794%0.93580%0.797SS**  trans-136148.2177.5-168.6167.393.500108.3
221S25.3Very low31.6Very low88 Ų88144 Ų14462%0.61579%0.789SS**  trans-148.8128.2-156156.60000112.1
222M28.1Very low32.5Very low160 Ų160142.7 Ų142.779%0.78879%0.785SS**  trans64157.6176.1-109.367.178.700113.8
223E29.4Very low33.1Very low170 Ų170141.6 Ų141.679%0.79478%0.78SS**  cis-145.9152.77.337.7-140.3101.800113.8
224E33.5Very low33.7Very low200 Ų200138.7 Ų138.794%0.93576%0.762SS**  trans3197.1159.1-160.3159.4-126.100120.1
225A28.5Very low34.3Very low103 Ų103132.7 Ų132.785%0.85174%0.744SS**  trans-135.7139155.800000110.1
226G27.1Very low34.8Very low68 Ų68128.7 Ų128.770%0.70173%0.734SS**  trans-95148.7-173.300000114.7
227L45.4Very low35.9Very low182 Ų182127.8 Ų127.895%0.95372%0.718SS**  trans54.865.3150.2-55.3175.8000118.3
228E36.3Very low36.3Very low139 Ų139123.7 Ų123.765%0.6570%0.7SS**  trans-126.768.4164.9-154.4-154.6131.200114.4N230 S231E228-N230 VanDerWaalsContact C-N 3.26Å; E228-N230 PolarHBondContact O-N 2.88Å; E228-N230 VanDerWaalsContact O-N 3.12Å; E228-S231 WeakPolarHBondContact OE1-CA 3.45Å; E228-S231 WeakPolarHBondContact OE1-CB 3.42Å; E228-S231 PolarHBondContact OE1-N 2.99Å; E228-S231 PolarHBondContact OE1-OG 2.89Å
229W43.9Very low37Very low251 Ų251125.8 Ų125.895%0.95170%0.698SS**  trans-80.967.5163.5-9196.2000111.1
230N43.6Very low37.8Very low105 Ų105121 Ų12156%0.56169%0.689SS**  trans-151.5-31.4169.6-99.7-44.8000116.3E228 A232 L233 T234E228-N230 VanDerWaalsContact C-N 3.26Å; E228-N230 PolarHBondContact O-N 2.88Å; E228-N230 VanDerWaalsContact O-N 3.12Å; N230-A232 VanDerWaalsContact C-N 3.28Å; N230-A232 PolarHBondContact O-N 3.31Å; N230-L233 PolarHBondContact O-N 3.33Å; N230-T234 PolarHBondContact O-N 3.18Å; N230-T234 PolarHBondContact O-OG1 2.88Å
231S41.7Very low38.5Very low73 Ų73116 Ų11651%0.5167%0.673SS.*Hα-helixtrans-37.2-47.6-172.1-140.60000116.6E228 A235E228-S231 WeakPolarHBondContact OE1-CA 3.45Å; E228-S231 WeakPolarHBondContact OE1-CB 3.42Å; E228-S231 PolarHBondContact OE1-N 2.99Å; E228-S231 PolarHBondContact OE1-OG 2.89Å; S231-A235 WeakPolarHBondContact O-CB 2.87Å; S231-A235 PolarHBondContact O-N 3.45Å
232A42.3Very low39.4Very low94 Ų94119.5 Ų119.578%0.77768%0.679SS**Hα-helixtrans-73.8-26.7-175.400000115.1N230N230-A232 VanDerWaalsContact C-N 3.28Å; N230-A232 PolarHBondContact O-N 3.31Å
233L45.8Very low39.8Very low130 Ų130121.3 Ų121.368%0.68169%0.686SS**Hα-helixtrans-87.5-39.2172.4-100.9166.9000110.5N230 A235 A236 V237N230-L233 PolarHBondContact O-N 3.33Å; L233-A235 PolarHBondContact O-N 3.46Å; L233-A236 PolarHBondContact O-N 2.95Å; L233-V237 WeakPolarHBondContact O-CG2 3.26Å; L233-V237 PolarHBondContact O-N 2.86Å
234T43Very low39.9Very low63 Ų63116.2 Ų116.239%0.38768%0.679SS.*Hα-helixtrans-60.2-43.3174.2-54.40000111.4N230 A236 V237 T238N230-T234 PolarHBondContact O-N 3.18Å; N230-T234 PolarHBondContact O-OG1 2.88Å; T234-A236 PolarHBondContact O-N 3.33Å; T234-V237 CarbonylContact O-C 3.41Å; T234-V237 WeakPolarHBondContact O-CA 3.39Å; T234-V237 PolarHBondContact O-N 3.28Å; T234-T238 HydrophobicContact CG2-CG2 3.98Å; T234-T238 PolarHBondContact O-N 2.87Å; T234-T238 PolarHBondContact O-OG1 2.99Å; T234-T238 VanDerWaalsContact O-OG1 3.08Å
235A41Very low40.6Very low55 Ų55114 Ų11446%0.45568%0.679SS.*Hα-helixtrans-62-27.6178.700000114.2S231 L233 V237 M239S231-A235 WeakPolarHBondContact O-CB 2.87Å; S231-A235 PolarHBondContact O-N 3.45Å; L233-A235 PolarHBondContact O-N 3.46Å; A235-V237 VanDerWaalsContact C-N 3.33Å; A235-M239 WeakPolarHBondContact O-CG 3.43Å
236A42.8Very low41Very low71 Ų71117.7 Ų117.759%0.58768%0.676SS**Hα-helixtrans-77.6-19.9172.700000112.8L233 T234L233-A236 PolarHBondContact O-N 2.95Å; T234-A236 PolarHBondContact O-N 3.33Å
237V45.7Very low41.9Very low79 Ų79124.2 Ų124.248%0.47969%0.685SS.*Hα-helixtrans-99.5-35.9-178.7174.20000112.3L233 T234 A235 M239 A240 T241L233-V237 WeakPolarHBondContact O-CG2 3.26Å; L233-V237 PolarHBondContact O-N 2.86Å; T234-V237 CarbonylContact O-C 3.41Å; T234-V237 WeakPolarHBondContact O-CA 3.39Å; T234-V237 PolarHBondContact O-N 3.28Å; A235-V237 VanDerWaalsContact C-N 3.33Å; V237-M239 VanDerWaalsContact C-N 3.28Å; V237-M239 PolarHBondContact O-N 2.89Å; V237-A240 CarbonylContact O-C 3.53Å; V237-A240 VanDerWaalsContact O-CA 3.32Å; V237-A240 WeakPolarHBondContact O-CA 3.31Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 3.44Å; V237-T241 HydrophobicContact CG1-CG2 4.03Å; V237-T241 WeakPolarHBondContact O-CG2 3.4Å; V237-T241 PolarHBondContact O-N 2.83Å; V237-T241 VanDerWaalsContact O-N 3.14Å; V237-T241 PolarHBondContact O-OG1 3.4Å
238T36.2Very low41.4Very low57 Ų57122.4 Ų122.435%0.3568%0.676SS.*Hα-helixtrans-67.6-29.2175.341.60000112.5T234 A240 T241T234-T238 HydrophobicContact CG2-CG2 3.98Å; T234-T238 PolarHBondContact O-N 2.87Å; T234-T238 PolarHBondContact O-OG1 2.99Å; T234-T238 VanDerWaalsContact O-OG1 3.08Å; T238-A240 PolarHBondContact O-N 3.38Å; T238-T241 PolarHBondContact O-N 3.41Å; T238-T241 VanDerWaalsContact O-N 3.15Å
239M40.8Very low41.7Very low170 Ų170119.9 Ų119.984%0.83767%0.673SS**THydrogen-bonded Turntrans-60.3-9.1165.1-67.4-88.588.200113.8A235 V237A235-M239 WeakPolarHBondContact O-CG 3.43Å; V237-M239 VanDerWaalsContact C-N 3.28Å; V237-M239 PolarHBondContact O-N 2.89Å
240A44Very low42.2Very low82 Ų82117.2 Ų117.268%0.67867%0.672SS**THydrogen-bonded Turntrans-120.81.5176.400000114V237 T238V237-A240 CarbonylContact O-C 3.53Å; V237-A240 VanDerWaalsContact O-CA 3.32Å; V237-A240 WeakPolarHBondContact O-CA 3.31Å; V237-A240 WeakPolarHBondContact O-CB 3.4Å; V237-A240 PolarHBondContact O-N 3.44Å; T238-A240 PolarHBondContact O-N 3.38Å
241T44.7Very low42.8Very low96 Ų96120.2 Ų120.259%0.58968%0.682SS**THydrogen-bonded Turntrans-135.424.1-173.669.50000116.2V237 T238V237-T241 HydrophobicContact CG1-CG2 4.03Å; V237-T241 WeakPolarHBondContact O-CG2 3.4Å; V237-T241 PolarHBondContact O-N 2.83Å; V237-T241 VanDerWaalsContact O-N 3.14Å; V237-T241 PolarHBondContact O-OG1 3.4Å; T238-T241 PolarHBondContact O-N 3.41Å; T238-T241 VanDerWaalsContact O-N 3.15Å
242E44.2Very low44.2Very low162 Ų162121.9 Ų121.976%0.75768%0.684SS**SBendtrans-148.562.5165.458173.6-169.700116.4
243E36.4Very low46.1Very low198 Ų198120.4 Ų120.493%0.92567%0.668SS**SBendtrans-148.3128.8139.5-88-137.8138.600112.9
244G31.1Very low48Very low62 Ų62120.3 Ų120.364%0.63966%0.664SS**  trans50.274.5142.600000121.3K246G244-K246 PolarHBondContact O-N 3.07Å
245V47.3Very low50.1Low155 Ų155123.3 Ų123.394%0.93968%0.678SS**  trans25.770.1145.7-166.80000115.5
246K37.8Very low52.3Low180 Ų180123.3 Ų123.378%0.78367%0.672SS**  trans-130.7135.4165-75.7-172.4-179.1174.60111.9G244 D248G244-K246 PolarHBondContact O-N 3.07Å; K246-D248 VanDerWaalsContact C-N 3.25Å; K246-D248 PolarHBondContact O-N 2.97Å; K246-D248 VanDerWaalsContact O-N 3.14Å
247K46.6Very low54.4Low205 Ų205123.6 Ų123.689%0.89166%0.664SS**  trans-85.569180178.7-150.3170-173.70108.1S249K247-S249 PolarHBondContact O-N 2.94Å
248D34Very low56.4Low143 Ų143124.7 Ų124.777%0.76567%0.665SS**  trans-81.8112171.8-72.53.8000107.2K246K246-D248 VanDerWaalsContact C-N 3.25Å; K246-D248 PolarHBondContact O-N 2.97Å; K246-D248 VanDerWaalsContact O-N 3.14Å
249S42.8Very low59Low86 Ų86127.9 Ų127.960%0.60167%0.674SS**  trans-64.6137.7173.4-174.10000108.2K247 E251K247-S249 PolarHBondContact O-N 2.94Å; S249-E251 PolarHBondContact O-N 3.38Å
250E55.5Low61.4Low195 Ų195124.4 Ų124.491%0.91165%0.652SS**  trans-74.876.7168.4-162162.4-154.500107.5I252E250-I252 PolarHBondContact O-N 2.95Å; E250-I252 VanDerWaalsContact O-N 3.13Å
251E54.8Low63.4Low169 Ų169125.9 Ų125.979%0.7964%0.643SS**  trans-62.5115-171.8-69-171.3158.800109.9S249 S253S249-E251 PolarHBondContact O-N 3.38Å; E251-S253 PolarHBondContact O-N 2.76Å
252I71.8Confident65.6Low108 Ų108122.8 Ų122.855%0.55463%0.63SS**  trans-51.9116.9173.7-57.6170.6000107.2E250 E254 T256 L257E250-I252 PolarHBondContact O-N 2.95Å; E250-I252 VanDerWaalsContact O-N 3.13Å; I252-E254 PolarHBondContact O-N 3.49Å; I252-T256 HydrophobicContact CG2-CG2 3.71Å; I252-L257 HydrophobicContact CB-CD2 3.94Å; I252-L257 HydrophobicContact CB-CG 4.13Å; I252-L257 HydrophobicContact CD1-CD2 4.31Å; I252-L257 HydrophobicContact CG2-CD2 3.74Å; I252-L257 HydrophobicContact CG2-CG 3.91Å; I252-L257 WeakPolarHBondContact O-CD1 3.22Å
253S81.6Confident67.7Low62 Ų62116.3 Ų116.343%0.43460%0.6SS.*  trans-50.4139-173.660.50000112.1E251 D255 T256 L257E251-S253 PolarHBondContact O-N 2.76Å; S253-D255 PolarHBondContact O-N 3.03Å; S253-D255 VanDerWaalsContact O-N 3.13Å; S253-T256 WeakPolarHBondContact O-CA 3.23Å; S253-T256 VanDerWaalsContact O-CB 3.29Å; S253-T256 WeakPolarHBondContact O-CB 3.35Å; S253-T256 PolarHBondContact O-N 3.36Å; S253-T256 WeakPolarHBondContact OG-CB 3.43Å; S253-T256 PolarHBondContact OG-OG1 3.31Å; S253-L257 PolarHBondContact O-N 2.82Å
254E86.6Confident70.2Confident128 Ų128109.1 Ų109.160%0.59858%0.575SS**Hα-helixtrans-54.3-36.5-177-177.662.5-165.600111.9I252 T256 L257 M258I252-E254 PolarHBondContact O-N 3.49Å; E254-T256 VanDerWaalsContact C-N 3.3Å; E254-T256 PolarHBondContact O-N 3.36Å; E254-L257 PolarHBondContact O-N 3.48Å; E254-M258 HydrophobicContact CG-CG 4.34Å; E254-M258 VanDerWaalsContact O-CB 3.28Å; E254-M258 WeakPolarHBondContact O-CB 3.32Å; E254-M258 VanDerWaalsContact O-CG 3.32Å; E254-M258 WeakPolarHBondContact O-CG 3.19Å; E254-M258 PolarHBondContact O-N 3.43Å
255D86.4Confident72.9Confident126 Ų126112 Ų11267%0.67458%0.576SS**Hα-helixtrans-58.2-38.9172.8-67.8-28000112.7S253 F259S253-D255 PolarHBondContact O-N 3.03Å; S253-D255 VanDerWaalsContact O-N 3.13Å; D255-F259 WeakPolarHBondContact O-CB 3.33Å; D255-F259 PolarHBondContact O-N 3.37Å
256T87.4Confident74.9Confident55 Ų55109.8 Ų109.834%0.33756%0.562SS.*Hα-helixtrans-73.5-41.5177-59.30000111.3I252 S253 E254 F259 W260I252-T256 HydrophobicContact CG2-CG2 3.71Å; S253-T256 WeakPolarHBondContact O-CA 3.23Å; S253-T256 VanDerWaalsContact O-CB 3.29Å; S253-T256 WeakPolarHBondContact O-CB 3.35Å; S253-T256 PolarHBondContact O-N 3.36Å; S253-T256 WeakPolarHBondContact OG-CB 3.43Å; S253-T256 PolarHBondContact OG-OG1 3.31Å; E254-T256 VanDerWaalsContact C-N 3.3Å; E254-T256 PolarHBondContact O-N 3.36Å; T256-F259 WeakPolarHBondContact O-CB 3.49Å; T256-F259 PolarHBondContact O-N 2.91Å; T256-W260 PolarHBondContact O-N 3.08Å
257L86.5Confident77.3Confident78 Ų78103.9 Ų103.941%0.40855%0.553SS.*Hα-helixtrans-62.2-43.8174.3-67.3176.9000111.2I252 S253 E254 F259 W260 K261I252-L257 HydrophobicContact CB-CD2 3.94Å; I252-L257 HydrophobicContact CB-CG 4.13Å; I252-L257 HydrophobicContact CD1-CD2 4.31Å; I252-L257 HydrophobicContact CG2-CD2 3.74Å; I252-L257 HydrophobicContact CG2-CG 3.91Å; I252-L257 WeakPolarHBondContact O-CD1 3.22Å; S253-L257 PolarHBondContact O-N 2.82Å; E254-L257 PolarHBondContact O-N 3.48Å; L257-F259 VanDerWaalsContact C-N 3.35Å; L257-F259 PolarHBondContact O-N 2.94Å; L257-W260 PolarHBondContact O-N 2.92Å; L257-K261 WeakPolarHBondContact O-CB 3.22Å; L257-K261 PolarHBondContact O-N 2.89Å
258M88.1Confident79.4Confident101 Ų10197.6 Ų97.650%0.49853%0.529SS..Hα-helixtrans-67.8-31176.7-74.6-69.6-73.300112.9E254 K261 G262E254-M258 HydrophobicContact CG-CG 4.34Å; E254-M258 VanDerWaalsContact O-CB 3.28Å; E254-M258 WeakPolarHBondContact O-CB 3.32Å; E254-M258 VanDerWaalsContact O-CG 3.32Å; E254-M258 WeakPolarHBondContact O-CG 3.19Å; E254-M258 PolarHBondContact O-N 3.43Å; M258-K261 HydrophobicContact SD-CD 4.07Å; M258-G262 PolarHBondContact O-N 2.89Å
259F90.3Very high82.1Confident125 Ų12593.7 Ų93.755%0.54851%0.506SS..Hα-helixtrans-65-52170.2170.7-99.4000112.2D255 T256 L257 K261 G262 I263D255-F259 WeakPolarHBondContact O-CB 3.33Å; D255-F259 PolarHBondContact O-N 3.37Å; T256-F259 WeakPolarHBondContact O-CB 3.49Å; T256-F259 PolarHBondContact O-N 2.91Å; L257-F259 VanDerWaalsContact C-N 3.35Å; L257-F259 PolarHBondContact O-N 2.94Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 2.78Å; F259-G262 PolarHBondContact O-N 3.49Å; F259-G262 VanDerWaalsContact O-N 3.13Å; F259-I263 HydrophobicContact CD1-CD1 4.13Å; F259-I263 HydrophobicContact CE1-CD1 3.53Å; F259-I263 HydrophobicContact CE2-CD1 4.17Å; F259-I263 HydrophobicContact CZ-CD1 3.57Å; F259-I263 PolarHBondContact O-N 2.92Å
260W91.6Very high84.3Confident96 Ų9697.1 Ų97.136%0.36451%0.513SS..Hα-helixtrans-63.9-36.7177.5-75.9112000112.4T256 L257 I263 A264 M269 V272 I276T256-W260 PolarHBondContact O-N 3.08Å; L257-W260 PolarHBondContact O-N 2.92Å; W260-I263 HydrophobicContact CE3-CD1 4.13Å; W260-I263 HydrophobicContact CZ3-CD1 4.34Å; W260-I263 PolarHBondContact O-N 2.79Å; W260-A264 PolarHBondContact O-N 2.99Å; W260-M269 HydrophobicContact CE3-CE 3.99Å; W260-M269 HydrophobicContact CE3-SD 4.02Å; W260-M269 HydrophobicContact CZ3-SD 4.21Å; W260-M269 VanDerWaalsContact O-CE 3.26Å; W260-M269 WeakPolarHBondContact O-CE 3.43Å; W260-V272 HydrophobicContact CH2-CG1 4.08Å; W260-V272 HydrophobicContact CZ3-CG1 3.7Å; W260-I276 HydrophobicContact CH2-CD1 3.81Å
261K86.7Confident85.9Confident113 Ų11393.8 Ų93.849%0.49150%0.497SS..Hα-helixtrans-62.9-43.1171.4-175.4-178.5174-175.80111.7L257 M258 F259 I263 A264 D265L257-K261 WeakPolarHBondContact O-CB 3.22Å; L257-K261 PolarHBondContact O-N 2.89Å; M258-K261 HydrophobicContact SD-CD 4.07Å; F259-K261 VanDerWaalsContact C-N 3.3Å; F259-K261 PolarHBondContact O-N 2.78Å; K261-I263 VanDerWaalsContact C-N 3.28Å; K261-I263 PolarHBondContact O-N 2.85Å; K261-A264 CarbonylContact O-C 3.58Å; K261-A264 WeakPolarHBondContact O-CB 3.46Å; K261-A264 PolarHBondContact O-N 3.25Å; K261-A264 VanDerWaalsContact O-N 3.07Å; K261-D265 WeakPolarHBondContact O-CB 3.4Å; K261-D265 VanDerWaalsContact O-CG 3.3Å; K261-D265 PolarHBondContact O-N 2.83Å
262G89.6Confident87.7Confident32 Ų3287.7 Ų87.733%0.3347%0.471SS..Hα-helixtrans-59.7-35.9173.800000113.4M258 F259 V266M258-G262 PolarHBondContact O-N 2.89Å; F259-G262 PolarHBondContact O-N 3.49Å; F259-G262 VanDerWaalsContact O-N 3.13Å; G262-V266 WeakPolarHBondContact O-CB 3.42Å; G262-V266 VanDerWaalsContact O-CG2 3.26Å; G262-V266 WeakPolarHBondContact O-CG2 3.42Å; G262-V266 PolarHBondContact O-N 2.77Å
263I89.4Confident88.5Confident25 Ų2586.1 Ų86.113%0.12847%0.467CS..Hα-helixtrans-66.7-40.8172.3-70.3171000111.3F259 W260 K261 G267 L268 M269 V272F259-I263 HydrophobicContact CD1-CD1 4.13Å; F259-I263 HydrophobicContact CE1-CD1 3.53Å; F259-I263 HydrophobicContact CE2-CD1 4.17Å; F259-I263 HydrophobicContact CZ-CD1 3.57Å; F259-I263 PolarHBondContact O-N 2.92Å; W260-I263 HydrophobicContact CE3-CD1 4.13Å; W260-I263 HydrophobicContact CZ3-CD1 4.34Å; W260-I263 PolarHBondContact O-N 2.79Å; K261-I263 VanDerWaalsContact C-N 3.28Å; K261-I263 PolarHBondContact O-N 2.85Å; I263-G267 PolarHBondContact O-N 2.97Å; I263-L268 HydrophobicContact CG2-CB 4.17Å; I263-L268 PolarHBondContact O-N 3.34Å; I263-M269 HydrophobicContact CB-CE 4.45Å; I263-M269 HydrophobicContact CG2-CB 4.38Å; I263-M269 HydrophobicContact CG2-CE 4.15Å; I263-M269 HydrophobicContact CG2-SD 4.34Å; I263-V272 HydrophobicContact CG2-CB 4.3Å; I263-V272 HydrophobicContact CG2-CG2 3.95Å
264A88.6Confident88.7Confident47 Ų4786.4 Ų86.439%0.38847%0.468SS..Hα-helixtrans-68-45.5176.600000112.8W260 K261 V266 G267 M269W260-A264 PolarHBondContact O-N 2.99Å; K261-A264 CarbonylContact O-C 3.58Å; K261-A264 WeakPolarHBondContact O-CB 3.46Å; K261-A264 PolarHBondContact O-N 3.25Å; K261-A264 VanDerWaalsContact O-N 3.07Å; A264-V266 PolarHBondContact O-N 2.84Å; A264-G267 WeakPolarHBondContact O-CA 3.19Å; A264-G267 PolarHBondContact O-N 2.87Å; A264-M269 HydrophobicContact CB-CE 3.84Å
265D88.6Confident88.8Confident123 Ų12384.8 Ų84.866%0.65846%0.464SS*.Hα-helixtrans-65.2-24.7-179.2-71.2-15.6000112.2K261K261-D265 WeakPolarHBondContact O-CB 3.4Å; K261-D265 VanDerWaalsContact O-CG 3.3Å; K261-D265 PolarHBondContact O-N 2.83Å
266V89.3Confident88.9Confident108 Ų10882.3 Ų82.366%0.65545%0.45SS*.THydrogen-bonded Turntrans-91.2-5.7172.7-179.60000112.3G262 A264 L268G262-V266 WeakPolarHBondContact O-CB 3.42Å; G262-V266 VanDerWaalsContact O-CG2 3.26Å; G262-V266 WeakPolarHBondContact O-CG2 3.42Å; G262-V266 PolarHBondContact O-N 2.77Å; A264-V266 PolarHBondContact O-N 2.84Å; V266-L268 HydrophobicContact CG1-CD1 3.87Å; V266-L268 HydrophobicContact CG1-CG 4.07Å
267G88.5Confident88.9Confident57 Ų5784.8 Ų84.859%0.58846%0.457SS*.THydrogen-bonded Turntrans82.55.8176.700000115.6I263 A264 M269I263-G267 PolarHBondContact O-N 2.97Å; A264-G267 WeakPolarHBondContact O-CA 3.19Å; A264-G267 PolarHBondContact O-N 2.87Å; G267-M269 VanDerWaalsContact C-N 3.3Å; G267-M269 PolarHBondContact O-N 2.84Å
268L90.6Very high89.1Confident73 Ų7386.1 Ų86.138%0.38246%0.46SS..THydrogen-bonded Turntrans-852-173.9-65.1172.7000114I263 V266 E270 E271 V272I263-L268 HydrophobicContact CG2-CB 4.17Å; I263-L268 PolarHBondContact O-N 3.34Å; V266-L268 HydrophobicContact CG1-CD1 3.87Å; V266-L268 HydrophobicContact CG1-CG 4.07Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.05Å; L268-E271 PolarHBondContact O-N 2.8Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.42Å
269M89.6Confident89Confident60 Ų6088.3 Ų88.330%0.29647%0.469SS..Hα-helixtrans-59.7-40.4-175.8-171.763.970.800112.9W260 I263 A264 G267 V272 V273W260-M269 HydrophobicContact CE3-CE 3.99Å; W260-M269 HydrophobicContact CE3-SD 4.02Å; W260-M269 HydrophobicContact CZ3-SD 4.21Å; W260-M269 VanDerWaalsContact O-CE 3.26Å; W260-M269 WeakPolarHBondContact O-CE 3.43Å; I263-M269 HydrophobicContact CB-CE 4.45Å; I263-M269 HydrophobicContact CG2-CB 4.38Å; I263-M269 HydrophobicContact CG2-CE 4.15Å; I263-M269 HydrophobicContact CG2-SD 4.34Å; A264-M269 HydrophobicContact CB-CE 3.84Å; G267-M269 VanDerWaalsContact C-N 3.3Å; G267-M269 PolarHBondContact O-N 2.84Å; M269-V272 PolarHBondContact O-N 3.3Å; M269-V273 HydrophobicContact CG-CG2 4.28Å; M269-V273 WeakPolarHBondContact O-CB 3.24Å; M269-V273 VanDerWaalsContact O-CG2 3.28Å; M269-V273 WeakPolarHBondContact O-CG2 3.4Å; M269-V273 PolarHBondContact O-N 3.44Å; M269-V273 HydrophobicContact SD-CG2 4.04Å
270E88.3Confident88.8Confident158 Ų15884.6 Ų84.674%0.73845%0.454SS*.Hα-helixtrans-63.4-47.9177.8-173.1173.5-17700111.1L268 V272 V273 C274L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.05Å; E270-V272 PolarHBondContact O-N 3.07Å; E270-V273 PolarHBondContact O-N 2.91Å; E270-C274 VanDerWaalsContact O-CB 3.31Å; E270-C274 WeakPolarHBondContact O-CB 3.24Å; E270-C274 PolarHBondContact O-N 3.05Å; E270-C274 PolarHBondContact O-SG 2.9Å; E270-C274 VanDerWaalsContact O-SG 3.37Å
271E90.1Very high88.5Confident125 Ų12584.8 Ų84.858%0.58446%0.459SS*.Hα-helixtrans-60.9-43.3176.1-63.6-171.9-174.300112.1L268 N275L268-E271 PolarHBondContact O-N 2.8Å; E271-N275 VanDerWaalsContact O-CB 3.27Å; E271-N275 WeakPolarHBondContact O-CB 3.34Å; E271-N275 VanDerWaalsContact O-CG 3.24Å; E271-N275 PolarHBondContact O-N 3.13Å; E271-N275 PolarHBondContact O-ND2 3.24Å
272V91.6Very high88.5Confident41 Ų4183.3 Ų83.325%0.24845%0.454CS..Hα-helixtrans-67.6-44.8-179.4172.30000111.3W260 I263 L268 M269 E270 N275 I276W260-V272 HydrophobicContact CH2-CG1 4.08Å; W260-V272 HydrophobicContact CZ3-CG1 3.7Å; I263-V272 HydrophobicContact CG2-CB 4.3Å; I263-V272 HydrophobicContact CG2-CG2 3.95Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.42Å; M269-V272 PolarHBondContact O-N 3.3Å; E270-V272 PolarHBondContact O-N 3.07Å; V272-N275 PolarHBondContact O-N 3.12Å; V272-I276 HydrophobicContact CG1-CD1 3.75Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.29Å; V272-I276 WeakPolarHBondContact O-CG1 3.43Å; V272-I276 PolarHBondContact O-N 3.19Å
273V88.6Confident88.2Confident76 Ų7685.3 Ų85.346%0.46146%0.457SS..Hα-helixtrans-65.2-44.2177.5171.50000111.1M269 E270 N275 I276 Q277M269-V273 HydrophobicContact CG-CG2 4.28Å; M269-V273 WeakPolarHBondContact O-CB 3.24Å; M269-V273 VanDerWaalsContact O-CG2 3.28Å; M269-V273 WeakPolarHBondContact O-CG2 3.4Å; M269-V273 PolarHBondContact O-N 3.44Å; M269-V273 HydrophobicContact SD-CG2 4.04Å; E270-V273 PolarHBondContact O-N 2.91Å; V273-N275 VanDerWaalsContact C-N 3.35Å; V273-N275 PolarHBondContact O-N 3.31Å; V273-I276 PolarHBondContact O-N 3.31Å; V273-Q277 WeakPolarHBondContact O-CB 3.5Å; V273-Q277 PolarHBondContact O-N 3Å
274C86.6Confident87.9Confident67 Ų6787.3 Ų87.345%0.45347%0.467SS..Hα-helixtrans-64.2-37175.7-73.10000112.7E270 K278E270-C274 VanDerWaalsContact O-CB 3.31Å; E270-C274 WeakPolarHBondContact O-CB 3.24Å; E270-C274 PolarHBondContact O-N 3.05Å; E270-C274 PolarHBondContact O-SG 2.9Å; E270-C274 VanDerWaalsContact O-SG 3.37Å; C274-K278 WeakPolarHBondContact O-CB 3.47Å; C274-K278 PolarHBondContact O-N 2.99Å
275N88Confident87.7Confident95 Ų9590.5 Ų90.551%0.50847%0.469SS..Hα-helixtrans-67.6-41.9174.6-78.7-47.8000111.9E271 V272 V273 K278 E279E271-N275 VanDerWaalsContact O-CB 3.27Å; E271-N275 WeakPolarHBondContact O-CB 3.34Å; E271-N275 VanDerWaalsContact O-CG 3.24Å; E271-N275 PolarHBondContact O-N 3.13Å; E271-N275 PolarHBondContact O-ND2 3.24Å; V272-N275 PolarHBondContact O-N 3.12Å; V273-N275 VanDerWaalsContact C-N 3.35Å; V273-N275 PolarHBondContact O-N 3.31Å; N275-K278 PolarHBondContact O-N 3.2Å; N275-E279 WeakPolarHBondContact O-CB 3.38Å; N275-E279 PolarHBondContact O-N 3.32Å
276I88.8Confident87.2Confident74 Ų7485.3 Ų85.338%0.37945%0.445SS..Hα-helixtrans-63.5-48.1176-71.2166.1000110.9W260 V272 V273 K278 E279 I280W260-I276 HydrophobicContact CH2-CD1 3.81Å; V272-I276 HydrophobicContact CG1-CD1 3.75Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.29Å; V272-I276 WeakPolarHBondContact O-CG1 3.43Å; V272-I276 PolarHBondContact O-N 3.19Å; V273-I276 PolarHBondContact O-N 3.31Å; I276-K278 VanDerWaalsContact C-N 3.32Å; I276-K278 PolarHBondContact O-N 2.91Å; I276-E279 PolarHBondContact O-N 2.86Å; I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 WeakPolarHBondContact O-CD1 3.49Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.08Å
277Q87.7Confident86.9Confident107 Ų10780.5 Ų80.550%0.542%0.416SS..Hα-helixtrans-55.3-50.7174.7177.6-175.5-14.800110.4V273 E279 I280 E281V273-Q277 WeakPolarHBondContact O-CB 3.5Å; V273-Q277 PolarHBondContact O-N 3Å; Q277-E279 PolarHBondContact O-N 3.46Å; Q277-I280 PolarHBondContact O-N 3.37Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.38Å; Q277-E281 PolarHBondContact NE2-OE1 3.24Å; Q277-E281 WeakPolarHBondContact O-CG 3.32Å; Q277-E281 PolarHBondContact O-N 3.42Å
278K90.4Very high86.4Confident106 Ų10684 Ų8446%0.46142%0.417SS..Hα-helixtrans-58.8-49179179.4-178.9172.7-167.10111.3C274 N275 I276 I280 E281 E282C274-K278 WeakPolarHBondContact O-CB 3.47Å; C274-K278 PolarHBondContact O-N 2.99Å; N275-K278 PolarHBondContact O-N 3.2Å; I276-K278 VanDerWaalsContact C-N 3.32Å; I276-K278 PolarHBondContact O-N 2.91Å; K278-I280 VanDerWaalsContact C-N 3.3Å; K278-I280 PolarHBondContact O-N 3.28Å; K278-E281 CarbonylContact O-C 3.57Å; K278-E281 WeakPolarHBondContact O-CA 3.36Å; K278-E281 WeakPolarHBondContact O-CB 3.47Å; K278-E281 PolarHBondContact O-N 3.3Å; K278-E281 VanDerWaalsContact O-N 3.08Å; K278-E282 WeakPolarHBondContact CE-OE1 3.28Å; K278-E282 HydrophobicContact CG-CG 3.98Å; K278-E282 VanDerWaalsContact O-CG 3.22Å; K278-E282 WeakPolarHBondContact O-CG 3.39Å; K278-E282 PolarHBondContact O-N 3Å
279E85.4Confident85.8Confident147 Ų14785.8 Ų85.869%0.68742%0.423SS*.Hα-helixtrans-63.7-35.9-177-168.5162.2-163.700112.1N275 I276 Q277 E282 L283N275-E279 WeakPolarHBondContact O-CB 3.38Å; N275-E279 PolarHBondContact O-N 3.32Å; I276-E279 PolarHBondContact O-N 2.86Å; Q277-E279 PolarHBondContact O-N 3.46Å; E279-E282 PolarHBondContact O-N 3.06Å; E279-L283 VanDerWaalsContact O-CB 3.23Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.11Å
280I86.8Confident84.9Confident47 Ų4787.6 Ų87.624%0.24143%0.427CS..Hα-helixtrans-64-46.4169.9-65.1160.5000111.1I276 Q277 K278 L283 L284 F311I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 WeakPolarHBondContact O-CD1 3.49Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.08Å; Q277-I280 PolarHBondContact O-N 3.37Å; K278-I280 VanDerWaalsContact C-N 3.3Å; K278-I280 PolarHBondContact O-N 3.28Å; I280-L283 PolarHBondContact O-N 2.82Å; I280-L284 HydrophobicContact CG2-CD1 3.95Å; I280-L284 HydrophobicContact CG2-CG 4.48Å; I280-L284 WeakPolarHBondContact O-CB 3.27Å; I280-L284 WeakPolarHBondContact O-CG 3.31Å; I280-L284 PolarHBondContact O-N 3.27Å; I280-F311 HydrophobicContact CD1-CE2 4.09Å; I280-F311 HydrophobicContact CD1-CZ 3.65Å
281E85.3Confident84Confident100 Ų10085 Ų8547%0.46742%0.417SS..Hα-helixtrans-62.3-40.9176.4-75.3179-162.500112.3Q277 K278 R285Q277-E281 WeakPolarHBondContact CG-OE1 3.38Å; Q277-E281 PolarHBondContact NE2-OE1 3.24Å; Q277-E281 WeakPolarHBondContact O-CG 3.32Å; Q277-E281 PolarHBondContact O-N 3.42Å; K278-E281 CarbonylContact O-C 3.57Å; K278-E281 WeakPolarHBondContact O-CA 3.36Å; K278-E281 WeakPolarHBondContact O-CB 3.47Å; K278-E281 PolarHBondContact O-N 3.3Å; K278-E281 VanDerWaalsContact O-N 3.08Å; E281-R285 WeakPolarHBondContact O-CB 3.27Å; E281-R285 PolarHBondContact O-N 2.92Å
282E86Confident82.8Confident81 Ų8185.8 Ų85.838%0.37942%0.424SS..Hα-helixtrans-70.5-34.8178.6-57.7-148.3138.600111.7K278 E279 R285 G286K278-E282 WeakPolarHBondContact CE-OE1 3.28Å; K278-E282 HydrophobicContact CG-CG 3.98Å; K278-E282 VanDerWaalsContact O-CG 3.22Å; K278-E282 WeakPolarHBondContact O-CG 3.39Å; K278-E282 PolarHBondContact O-N 3Å; E279-E282 PolarHBondContact O-N 3.06Å; E282-R285 IonicContact OE1-CZ 3.68Å; E282-R285 IonicContact OE1-NH1 2.75Å; E282-R285 PolarHBondContact OE1-NH1 3.34Å; E282-R285 IonicContact OE1-NH2 3.4Å; E282-R285 PolarHBondContact OE1-NH2 2.89Å; E282-R285 IonicContact OE2-NH2 3.42Å; E282-G286 PolarHBondContact O-N 2.84Å
283L84.1Confident81.1Confident75 Ų7591.9 Ų91.939%0.39345%0.45SS..Hα-helixtrans-64.3-49.8172.8-175.365.7000111.5E279 I280 G286 V287 V303 V307E279-L283 VanDerWaalsContact O-CB 3.23Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.11Å; I280-L283 PolarHBondContact O-N 2.82Å; L283-G286 PolarHBondContact O-N 2.91Å; L283-V287 PolarHBondContact O-N 3.46Å; L283-V303 HydrophobicContact CD1-CG1 3.85Å; L283-V303 HydrophobicContact CD2-CG1 3.86Å; L283-V303 HydrophobicContact CG-CG1 3.74Å; L283-V307 HydrophobicContact CD2-CG2 4.2Å
284L82.6Confident79.6Confident67 Ų6790.2 Ų90.235%0.35144%0.444SS..Hα-helixtrans-64.5-43.8176.8-70.7173.1000111.8I280 G286 V287 Q288 L304I280-L284 HydrophobicContact CG2-CD1 3.95Å; I280-L284 HydrophobicContact CG2-CG 4.48Å; I280-L284 WeakPolarHBondContact O-CB 3.27Å; I280-L284 WeakPolarHBondContact O-CG 3.31Å; I280-L284 PolarHBondContact O-N 3.27Å; L284-G286 VanDerWaalsContact C-N 3.28Å; L284-G286 PolarHBondContact O-N 3.35Å; L284-V287 PolarHBondContact O-N 2.92Å; L284-Q288 WeakPolarHBondContact O-CB 3.49Å; L284-Q288 PolarHBondContact O-N 2.87Å; L284-L304 HydrophobicContact CD2-CD2 3.76Å
285R84.8Confident78.4Confident114 Ų11492.7 Ų92.743%0.4346%0.46SS..Hα-helixtrans-59.7-38.6173.7-175.1178.575.1-153.25.1111.4E281 E282 Q288 Q289E281-R285 WeakPolarHBondContact O-CB 3.27Å; E281-R285 PolarHBondContact O-N 2.92Å; E282-R285 IonicContact OE1-CZ 3.68Å; E282-R285 IonicContact OE1-NH1 2.75Å; E282-R285 PolarHBondContact OE1-NH1 3.34Å; E282-R285 IonicContact OE1-NH2 3.4Å; E282-R285 PolarHBondContact OE1-NH2 2.89Å; E282-R285 IonicContact OE2-NH2 3.42Å; R285-Q288 PolarHBondContact O-N 3.32Å; R285-Q289 WeakPolarHBondContact O-CB 3.38Å; R285-Q289 VanDerWaalsContact O-CG 3.27Å; R285-Q289 WeakPolarHBondContact O-CG 3.45Å; R285-Q289 PolarHBondContact O-N 3Å
286G79.3Confident77.7Confident14 Ų1493.4 Ų93.414%0.14446%0.458CS..Hα-helixtrans-62.3-45.4174.200000112.8E282 L283 L284 R290E282-G286 PolarHBondContact O-N 2.84Å; L283-G286 PolarHBondContact O-N 2.91Å; L284-G286 VanDerWaalsContact C-N 3.28Å; L284-G286 PolarHBondContact O-N 3.35Å; G286-R290 WeakPolarHBondContact O-CG 3.48Å; G286-R290 VanDerWaalsContact O-CZ 3.32Å; G286-R290 PolarHBondContact O-N 2.81Å; G286-R290 PolarHBondContact O-NH1 3.1Å; G286-R290 VanDerWaalsContact O-NH1 3.14Å
287V81.7Confident77.1Confident7 Ų794.3 Ų94.34%0.04246%0.461CS..Hα-helixtrans-62.5-46.6173.8174.20000110.7L283 L284 Q289 R290 L291 D300 V303 L304L283-V287 PolarHBondContact O-N 3.46Å; L284-V287 PolarHBondContact O-N 2.92Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 3.37Å; V287-R290 PolarHBondContact O-N 3.16Å; V287-R290 VanDerWaalsContact O-N 3.16Å; V287-L291 PolarHBondContact O-N 3.04Å; V287-D300 HydrophobicContact CG1-CB 4.08Å; V287-D300 HydrophobicContact CG2-CB 4.39Å; V287-V303 HydrophobicContact CG2-CG1 4.14Å; V287-L304 HydrophobicContact CG1-CD1 3.92Å; V287-L304 HydrophobicContact CG1-CD2 4.29Å; V287-L304 HydrophobicContact CG1-CG 4.1Å
288Q78.3Confident76.4Confident129 Ų12994.6 Ų94.660%0.60347%0.47SS*.Hα-helixtrans-62.2-37.9-179.7-169.418011.900112.6L284 R285 L291L284-Q288 WeakPolarHBondContact O-CB 3.49Å; L284-Q288 PolarHBondContact O-N 2.87Å; R285-Q288 PolarHBondContact O-N 3.32Å; Q288-L291 WeakPolarHBondContact O-CB 3.28Å; Q288-L291 PolarHBondContact O-N 3.26Å
289Q77.2Confident75.6Confident111 Ų11193.6 Ų93.652%0.51947%0.473SS..Hα-helixtrans-67.3-37.3174.8-75.8175.71.500112.5R285 V287 I292R285-Q289 WeakPolarHBondContact O-CB 3.38Å; R285-Q289 VanDerWaalsContact O-CG 3.27Å; R285-Q289 WeakPolarHBondContact O-CG 3.45Å; R285-Q289 PolarHBondContact O-N 3Å; V287-Q289 VanDerWaalsContact C-N 3.34Å; V287-Q289 PolarHBondContact O-N 3.37Å; Q289-I292 PolarHBondContact O-N 3.42Å
290R71.7Confident75.4Confident98 Ų9886.8 Ų86.837%0.3744%0.441SS..Hα-helixtrans-68.6-37.6174.9-72.9-173.2-67.1-83.97112.3G286 V287 I292 Q293 A294 D300G286-R290 WeakPolarHBondContact O-CG 3.48Å; G286-R290 VanDerWaalsContact O-CZ 3.32Å; G286-R290 PolarHBondContact O-N 2.81Å; G286-R290 PolarHBondContact O-NH1 3.1Å; G286-R290 VanDerWaalsContact O-NH1 3.14Å; V287-R290 PolarHBondContact O-N 3.16Å; V287-R290 VanDerWaalsContact O-N 3.16Å; R290-I292 PolarHBondContact O-N 2.78Å; R290-I292 VanDerWaalsContact O-N 3.08Å; R290-Q293 PolarHBondContact O-N 2.91Å; R290-A294 PolarHBondContact O-N 3.37Å; R290-D300 IonicContact CZ-OD1 3.41Å; R290-D300 IonicContact NE-OD1 2.68Å; R290-D300 PolarHBondContact NE-OD1 3.39Å; R290-D300 IonicContact NE-OD2 3.85Å; R290-D300 PolarHBondContact NE-OD2 3.18Å; R290-D300 IonicContact NH2-OD1 3.25Å; R290-D300 PolarHBondContact NH2-OD1 2.88Å
291L69.5Low75.1Confident104 Ų10486.3 Ų86.355%0.54544%0.444SS..Hα-helixtrans-57.1-23.8177.2-154.180.8000113.8V287 Q288 F296V287-L291 PolarHBondContact O-N 3.04Å; Q288-L291 WeakPolarHBondContact O-CB 3.28Å; Q288-L291 PolarHBondContact O-N 3.26Å; L291-F296 HydrophobicContact CD1-CB 4.34Å; L291-F296 HydrophobicContact CD1-CD2 3.59Å; L291-F296 HydrophobicContact CD1-CE2 4.23Å; L291-F296 HydrophobicContact CD1-CG 4.27Å
292I64Low74.9Confident141 Ų14182.7 Ų82.772%0.72343%0.431SS*.THydrogen-bonded Turntrans-88.6-18-180-64.2166.4000112Q289 R290Q289-I292 PolarHBondContact O-N 3.42Å; R290-I292 PolarHBondContact O-N 2.78Å; R290-I292 VanDerWaalsContact O-N 3.08Å
293Q57.6Low74.8Confident169 Ų16980.9 Ų80.979%0.7943%0.425SS*.THydrogen-bonded Turntrans-122.6-12.9-167.4-62.6-173.748.900115.2R290R290-Q293 PolarHBondContact O-N 2.91Å
294A56.1Low74.8Confident42 Ų4280.3 Ų80.335%0.34742%0.423SS..SBendtrans-147.6159.2-176.900000111.8R290 F296R290-A294 PolarHBondContact O-N 3.37Å; A294-F296 PolarHBondContact O-N 2.98Å
295P61.7Low74.9Confident119 Ų11981 Ų8177%0.77343%0.426SS*.SBendtrans-56.7138.2163.225.9-34.4000110.4Q297P295-Q297 PolarHBondContact O-N 2.99Å
296F72.3Confident75Confident109 Ų10979.6 Ų79.648%0.47843%0.428SS..PPolyproline II helixtrans-57.9122.3-175.5178.5-119.5000111.6L291 A294 D300 A301 L304L291-F296 HydrophobicContact CD1-CB 4.34Å; L291-F296 HydrophobicContact CD1-CD2 3.59Å; L291-F296 HydrophobicContact CD1-CE2 4.23Å; L291-F296 HydrophobicContact CD1-CG 4.27Å; A294-F296 PolarHBondContact O-N 2.98Å; F296-D300 HydrophobicContact CD2-CB 4.01Å; F296-D300 HydrophobicContact CE2-CB 3.7Å; F296-A301 HydrophobicContact CE1-CB 3.65Å; F296-A301 HydrophobicContact CZ-CB 3.75Å; F296-L304 HydrophobicContact CE2-CD1 4Å; F296-L304 HydrophobicContact CZ-CD1 4.06Å
297Q75.9Confident75.3Confident94 Ų9480.2 Ų80.244%0.43943%0.428SS..PPolyproline II helixtrans-90150.5-172.1-60.3-171.536.600112.5P295 T299 D300 A301P295-Q297 PolarHBondContact O-N 2.99Å; Q297-T299 WeakPolarHBondContact CB-OG1 3.18Å; Q297-T299 PolarHBondContact O-N 3.35Å; Q297-D300 WeakPolarHBondContact O-CB 3.46Å; Q297-D300 PolarHBondContact O-N 3.46Å; Q297-A301 PolarHBondContact O-N 3.23Å
298V73.5Confident75.5Confident113 Ų11380.4 Ų80.469%0.68543%0.431SS*.Hα-helixtrans-59.3-28175.5-176.70000112.1A302V298-A302 WeakPolarHBondContact O-CB 3.35Å; V298-A302 PolarHBondContact O-N 2.97Å
299T73.8Confident75.7Confident85 Ų8580.8 Ų80.852%0.52143%0.432SS..Hα-helixtrans-65.2-45.8171.5420000112.4Q297 A302 V303Q297-T299 WeakPolarHBondContact CB-OG1 3.18Å; Q297-T299 PolarHBondContact O-N 3.35Å; T299-A302 PolarHBondContact O-N 2.91Å; T299-V303 WeakPolarHBondContact O-CG2 3.46Å; T299-V303 PolarHBondContact O-N 3.18Å
300D81Confident75.9Confident4 Ų480.9 Ų80.92%0.02144%0.441CS..Hα-helixtrans-66.3-40.2176.5-66.7-40.7000111.4V287 R290 F296 Q297 V303 L304V287-D300 HydrophobicContact CG1-CB 4.08Å; V287-D300 HydrophobicContact CG2-CB 4.39Å; R290-D300 IonicContact CZ-OD1 3.41Å; R290-D300 IonicContact NE-OD1 2.68Å; R290-D300 PolarHBondContact NE-OD1 3.39Å; R290-D300 IonicContact NE-OD2 3.85Å; R290-D300 PolarHBondContact NE-OD2 3.18Å; R290-D300 IonicContact NH2-OD1 3.25Å; R290-D300 PolarHBondContact NH2-OD1 2.88Å; F296-D300 HydrophobicContact CD2-CB 4.01Å; F296-D300 HydrophobicContact CE2-CB 3.7Å; Q297-D300 WeakPolarHBondContact O-CB 3.46Å; Q297-D300 PolarHBondContact O-N 3.46Å; D300-V303 PolarHBondContact O-N 3.2Å; D300-L304 WeakPolarHBondContact O-CG 3.48Å; D300-L304 PolarHBondContact O-N 3.23Å
301A80.8Confident76.4Confident36 Ų3681.6 Ų81.630%0.29845%0.447SS..Hα-helixtrans-59-45.4172.300000112.2F296 Q297 L304 N305F296-A301 HydrophobicContact CE1-CB 3.65Å; F296-A301 HydrophobicContact CZ-CB 3.75Å; Q297-A301 PolarHBondContact O-N 3.23Å; A301-L304 PolarHBondContact O-N 3.09Å; A301-N305 VanDerWaalsContact O-CB 3.26Å; A301-N305 WeakPolarHBondContact O-CB 3.41Å; A301-N305 PolarHBondContact O-N 3.1Å
302A81.3Confident77.1Confident25 Ų2579.3 Ų79.321%0.20745%0.448CS..Hα-helixtrans-67.3-36.117800000112.8V298 T299 N306V298-A302 WeakPolarHBondContact O-CB 3.35Å; V298-A302 PolarHBondContact O-N 2.97Å; T299-A302 PolarHBondContact O-N 2.91Å; A302-N306 WeakPolarHBondContact O-CB 3.3Å; A302-N306 PolarHBondContact O-N 2.98Å; A302-N306 PolarHBondContact O-OD1 2.9Å
303V83.5Confident78.2Confident42 Ų4276.4 Ų76.426%0.25543%0.433SS..Hα-helixtrans-64-50.1173.81660000110.7L283 V287 T299 D300 N305 N306 V307L283-V303 HydrophobicContact CD1-CG1 3.85Å; L283-V303 HydrophobicContact CD2-CG1 3.86Å; L283-V303 HydrophobicContact CG-CG1 3.74Å; V287-V303 HydrophobicContact CG2-CG1 4.14Å; T299-V303 WeakPolarHBondContact O-CG2 3.46Å; T299-V303 PolarHBondContact O-N 3.18Å; D300-V303 PolarHBondContact O-N 3.2Å; V303-N305 PolarHBondContact O-N 3.16Å; V303-N306 PolarHBondContact O-N 2.81Å; V303-V307 WeakPolarHBondContact O-CG2 3.1Å; V303-V307 PolarHBondContact O-N 2.96Å
304L84.3Confident79.4Confident64 Ų6471.8 Ų71.834%0.33541%0.413SS..Hα-helixtrans-63.3-39.9178.3-70.9177.6000112.3L284 V287 F296 D300 A301 A308L284-L304 HydrophobicContact CD2-CD2 3.76Å; V287-L304 HydrophobicContact CG1-CD1 3.92Å; V287-L304 HydrophobicContact CG1-CD2 4.29Å; V287-L304 HydrophobicContact CG1-CG 4.1Å; F296-L304 HydrophobicContact CE2-CD1 4Å; F296-L304 HydrophobicContact CZ-CD1 4.06Å; D300-L304 WeakPolarHBondContact O-CG 3.48Å; D300-L304 PolarHBondContact O-N 3.23Å; A301-L304 PolarHBondContact O-N 3.09Å; L304-A308 WeakPolarHBondContact O-CB 3.38Å; L304-A308 PolarHBondContact O-N 2.75Å
305N85.7Confident80.7Confident80 Ų8075.4 Ų75.443%0.42843%0.426SS..Hα-helixtrans-61.2-46.4175.3-179.285.7000111.7A301 V303 A308 H309 M314A301-N305 VanDerWaalsContact O-CB 3.26Å; A301-N305 WeakPolarHBondContact O-CB 3.41Å; A301-N305 PolarHBondContact O-N 3.1Å; V303-N305 PolarHBondContact O-N 3.16Å; N305-A308 PolarHBondContact O-N 3.12Å; N305-H309 WeakPolarHBondContact O-CB 3.37Å; N305-H309 PolarHBondContact O-N 3.44Å; N305-M314 WeakPolarHBondContact OD1-CE 3.44Å
306N85.4Confident81.8Confident86 Ų8673.8 Ų73.846%0.4641%0.414SS..Hα-helixtrans-63.2-47.7179-73.411.6000111.2A302 V303 A308 H309 T310A302-N306 WeakPolarHBondContact O-CB 3.3Å; A302-N306 PolarHBondContact O-N 2.98Å; A302-N306 PolarHBondContact O-OD1 2.9Å; V303-N306 PolarHBondContact O-N 2.81Å; N306-A308 PolarHBondContact O-N 3.46Å; N306-H309 PolarHBondContact O-N 3.28Å; N306-T310 WeakPolarHBondContact O-CB 3.49Å; N306-T310 PolarHBondContact O-N 3.39Å; N306-T310 PolarHBondContact O-OG1 3.07Å; N306-T310 VanDerWaalsContact O-OG1 3.08Å
307V86.6Confident82.6Confident26 Ų2671.8 Ų71.816%0.15841%0.411CS..Hα-helixtrans-59.2-46.7175.5173.10000110.9L283 V303 H309 T310 F311L283-V307 HydrophobicContact CD2-CG2 4.2Å; V303-V307 WeakPolarHBondContact O-CG2 3.1Å; V303-V307 PolarHBondContact O-N 2.96Å; V307-H309 VanDerWaalsContact C-N 3.27Å; V307-H309 PolarHBondContact O-N 3.35Å; V307-T310 PolarHBondContact O-N 3.45Å; V307-F311 HydrophobicContact CG1-CD2 3.86Å; V307-F311 HydrophobicContact CG1-CE2 4.19Å; V307-F311 WeakPolarHBondContact O-CD2 3.49Å; V307-F311 PolarHBondContact O-N 3.42Å
308A84.5Confident83.1Confident11 Ų1173.2 Ų73.29%0.09142%0.415CS..Hα-helixtrans-63.2-31.7178.600000113L304 N305 N306 G312 L313 M314 V317L304-A308 WeakPolarHBondContact O-CB 3.38Å; L304-A308 PolarHBondContact O-N 2.75Å; N305-A308 PolarHBondContact O-N 3.12Å; N306-A308 PolarHBondContact O-N 3.46Å; A308-G312 CarbonylContact O-C 3.54Å; A308-G312 PolarHBondContact O-N 2.93Å; A308-L313 HydrophobicContact CB-CB 4.44Å; A308-L313 PolarHBondContact O-N 2.92Å; A308-M314 HydrophobicContact CB-CE 4.07Å; A308-M314 PolarHBondContact O-N 2.92Å; A308-V317 HydrophobicContact CB-CG2 4.36Å
309H82.6Confident83.9Confident138 Ų13875.3 Ų75.364%0.63942%0.415SS*.Hα-helixtrans-79.3-39.3176.5-160.3-46.9000112.5N305 N306 V307 F311 G312N305-H309 WeakPolarHBondContact O-CB 3.37Å; N305-H309 PolarHBondContact O-N 3.44Å; N306-H309 PolarHBondContact O-N 3.28Å; V307-H309 VanDerWaalsContact C-N 3.27Å; V307-H309 PolarHBondContact O-N 3.35Å; H309-F311 VanDerWaalsContact C-N 3.32Å; H309-F311 PolarHBondContact O-N 3Å; H309-G312 PolarHBondContact O-N 3.22Å
310T81.6Confident84.7Confident113 Ų11375.6 Ų75.669%0.69342%0.417SS*.Hα-helixtrans-65.7-32.8176.8-61.70000112.4N306 V307N306-T310 WeakPolarHBondContact O-CB 3.49Å; N306-T310 PolarHBondContact O-N 3.39Å; N306-T310 PolarHBondContact O-OG1 3.07Å; N306-T310 VanDerWaalsContact O-OG1 3.08Å; V307-T310 PolarHBondContact O-N 3.45Å
311F82.2Confident85.2Confident113 Ų11380.8 Ų80.850%0.49644%0.444SS..THydrogen-bonded Turntrans-99.38.2178.1-68.8-71.5000114.5I280 V307 H309 L313I280-F311 HydrophobicContact CD1-CE2 4.09Å; I280-F311 HydrophobicContact CD1-CZ 3.65Å; V307-F311 HydrophobicContact CG1-CD2 3.86Å; V307-F311 HydrophobicContact CG1-CE2 4.19Å; V307-F311 WeakPolarHBondContact O-CD2 3.49Å; V307-F311 PolarHBondContact O-N 3.42Å; H309-F311 VanDerWaalsContact C-N 3.32Å; H309-F311 PolarHBondContact O-N 3Å; F311-L313 HydrophobicContact CB-CD1 3.86Å; F311-L313 HydrophobicContact CB-CG 3.78Å; F311-L313 PolarHBondContact O-N 3.34Å; F311-L313 VanDerWaalsContact O-N 3.11Å
312G84.5Confident85.6Confident55 Ų5581.5 Ų81.557%0.56744%0.443SS*.THydrogen-bonded Turntrans62.816-179.100000114.8A308 H309 M314A308-G312 CarbonylContact O-C 3.54Å; A308-G312 PolarHBondContact O-N 2.93Å; H309-G312 PolarHBondContact O-N 3.22Å; G312-M314 PolarHBondContact O-N 3.2Å
313L87.1Confident86.1Confident80 Ų8085.6 Ų85.642%0.41946%0.461SS..THydrogen-bonded Turntrans-77.8-2.6-175.1-60.4174.5000113.5A308 F311 D315 T316 V317A308-L313 HydrophobicContact CB-CB 4.44Å; A308-L313 PolarHBondContact O-N 2.92Å; F311-L313 HydrophobicContact CB-CD1 3.86Å; F311-L313 HydrophobicContact CB-CG 3.78Å; F311-L313 PolarHBondContact O-N 3.34Å; F311-L313 VanDerWaalsContact O-N 3.11Å; L313-D315 VanDerWaalsContact C-N 3.32Å; L313-D315 PolarHBondContact O-N 3.02Å; L313-T316 CarbonylContact O-C 3.57Å; L313-T316 WeakPolarHBondContact O-CA 3.39Å; L313-T316 WeakPolarHBondContact O-CB 3.28Å; L313-T316 PolarHBondContact O-N 3.32Å; L313-V317 PolarHBondContact O-N 3.18Å
314M82.8Confident86.5Confident72 Ų7292 Ų9236%0.35548%0.481SS..Hα-helixtrans-57.3-41.1-174.4-167.659.369.200112.9N305 A308 G312 T316 V317 K318N305-M314 WeakPolarHBondContact OD1-CE 3.44Å; A308-M314 HydrophobicContact CB-CE 4.07Å; A308-M314 PolarHBondContact O-N 2.92Å; G312-M314 PolarHBondContact O-N 3.2Å; M314-T316 VanDerWaalsContact C-N 3.32Å; M314-T316 PolarHBondContact O-N 2.97Å; M314-V317 PolarHBondContact O-N 3.31Å; M314-K318 VanDerWaalsContact O-CB 3.32Å; M314-K318 WeakPolarHBondContact O-CB 3.23Å; M314-K318 PolarHBondContact O-N 3.26Å
315D83.8Confident86.9Confident119 Ų11995.7 Ų95.764%0.63649%0.49SS*.Hα-helixtrans-67.4-31.3175.3-70.9-57.4000113L313 K319L313-D315 VanDerWaalsContact C-N 3.32Å; L313-D315 PolarHBondContact O-N 3.02Å; D315-K319 WeakPolarHBondContact O-CB 3.34Å; D315-K319 PolarHBondContact O-N 3.47Å
316T85.4Confident87.2Confident84 Ų8495.2 Ų95.252%0.51549%0.488SS..Hα-helixtrans-69.6-43.3172.7-620000110.9L313 M314 K319 V320L313-T316 CarbonylContact O-C 3.57Å; L313-T316 WeakPolarHBondContact O-CA 3.39Å; L313-T316 WeakPolarHBondContact O-CB 3.28Å; L313-T316 PolarHBondContact O-N 3.32Å; M314-T316 VanDerWaalsContact C-N 3.32Å; M314-T316 PolarHBondContact O-N 2.97Å; T316-K319 PolarHBondContact O-N 2.99Å; T316-V320 WeakPolarHBondContact O-CG2 3.18Å; T316-V320 PolarHBondContact O-N 3.43Å
317V88Confident87.5Confident67 Ų6797.3 Ų97.341%0.40650%0.495SS..Hα-helixtrans-61.5-46.5174.9173.60000110.5A308 L313 M314 V320 L321A308-V317 HydrophobicContact CB-CG2 4.36Å; L313-V317 PolarHBondContact O-N 3.18Å; M314-V317 PolarHBondContact O-N 3.31Å; V317-V320 PolarHBondContact O-N 3.35Å; V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 3.49Å
318K86.7Confident87.8Confident124 Ų124100.3 Ų100.354%0.53951%0.513SS..Hα-helixtrans-58.5-49.1174.9-177.9-179.9174.8-173.60111.6M314 V320 L321 D322M314-K318 VanDerWaalsContact O-CB 3.32Å; M314-K318 WeakPolarHBondContact O-CB 3.23Å; M314-K318 PolarHBondContact O-N 3.26Å; K318-V320 VanDerWaalsContact C-N 3.3Å; K318-V320 PolarHBondContact O-N 2.95Å; K318-L321 WeakPolarHBondContact O-CB 3.38Å; K318-L321 PolarHBondContact O-N 3.24Å; K318-L321 VanDerWaalsContact O-N 3.13Å; K318-D322 WeakPolarHBondContact O-CB 3.29Å; K318-D322 PolarHBondContact O-N 3.19Å
319K90.4Very high88.2Confident157 Ų157104.3 Ų104.368%0.68353%0.53SS*.Hα-helixtrans-59.6-36.4176.5-176.9177.3-178.81780112.9D315 T316 N323D315-K319 WeakPolarHBondContact O-CB 3.34Å; D315-K319 PolarHBondContact O-N 3.47Å; T316-K319 PolarHBondContact O-N 2.99Å; K319-N323 VanDerWaalsContact O-CB 3.25Å; K319-N323 WeakPolarHBondContact O-CB 3.49Å; K319-N323 PolarHBondContact O-N 2.87Å
320V91.5Very high88.6Confident91 Ų91103.1 Ų103.155%0.55253%0.525SS*.Hα-helixtrans-71.7-39.5174.9169.60000111.5T316 V317 K318 R324T316-V320 WeakPolarHBondContact O-CG2 3.18Å; T316-V320 PolarHBondContact O-N 3.43Å; V317-V320 PolarHBondContact O-N 3.35Å; K318-V320 VanDerWaalsContact C-N 3.3Å; K318-V320 PolarHBondContact O-N 2.95Å; V320-R324 WeakPolarHBondContact O-CB 3.35Å; V320-R324 PolarHBondContact O-N 2.93Å
321L89.6Confident89.1Confident114 Ų11498.7 Ų98.760%0.59750%0.501SS*.Hα-helixtrans-64-45.8173.6-74.5167.9000111.8V317 K318 R324 R325V317-L321 HydrophobicContact CG1-CD1 4.03Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 3.49Å; K318-L321 WeakPolarHBondContact O-CB 3.38Å; K318-L321 PolarHBondContact O-N 3.24Å; K318-L321 VanDerWaalsContact O-N 3.13Å; L321-R324 PolarHBondContact O-N 3.09Å; L321-R325 VanDerWaalsContact O-CB 3.32Å; L321-R325 WeakPolarHBondContact O-CB 3.28Å; L321-R325 PolarHBondContact O-N 3.07Å
322D89.6Confident89.6Confident51 Ų5199 Ų9927%0.27350%0.504SS..Hα-helixtrans-63.2-45.2176.8-75.2-36.7000111.4K318 R324 R325 N326K318-D322 WeakPolarHBondContact O-CB 3.29Å; K318-D322 PolarHBondContact O-N 3.19Å; D322-R324 VanDerWaalsContact C-N 3.32Å; D322-R324 PolarHBondContact O-N 3.12Å; D322-R325 PolarHBondContact O-N 3.31Å; D322-R325 IonicContact OD1-CZ 2.64Å; D322-R325 IonicContact OD1-NE 2.66Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.44Å; D322-R325 PolarHBondContact OD1-NH2 3.2Å; D322-N326 WeakPolarHBondContact O-CB 3.38Å; D322-N326 PolarHBondContact O-N 3.49Å; D322-N326 PolarHBondContact O-OD1 2.85Å
323N92.4Very high89.9Confident110 Ų110102.2 Ų102.259%0.58850%0.504SS*.Hα-helixtrans-60.9-40.2175-170.820.7000112K319 Q327K319-N323 VanDerWaalsContact O-CB 3.25Å; K319-N323 WeakPolarHBondContact O-CB 3.49Å; K319-N323 PolarHBondContact O-N 2.87Å; N323-Q327 WeakPolarHBondContact O-CB 3.3Å; N323-Q327 PolarHBondContact O-N 3.02Å
324R91.9Very high90.2Very high177 Ų177104.4 Ų104.467%0.66851%0.512SS*.Hα-helixtrans-72.6-34.3177.4-170.2167.6-175.3162.42.3112.9V320 L321 D322 Q327 V328V320-R324 WeakPolarHBondContact O-CB 3.35Å; V320-R324 PolarHBondContact O-N 2.93Å; L321-R324 PolarHBondContact O-N 3.09Å; D322-R324 VanDerWaalsContact C-N 3.32Å; D322-R324 PolarHBondContact O-N 3.12Å; R324-Q327 PolarHBondContact O-N 3.05Å; R324-V328 WeakPolarHBondContact O-CG2 3.41Å; R324-V328 PolarHBondContact O-N 2.86Å
325R91.7Very high90.7Very high141 Ų141108.4 Ų108.453%0.53253%0.528SS..Hα-helixtrans-60.5-54.5171.5174.916663.197.9-7.2110L321 D322 Q327 V328 E329L321-R325 VanDerWaalsContact O-CB 3.32Å; L321-R325 WeakPolarHBondContact O-CB 3.28Å; L321-R325 PolarHBondContact O-N 3.07Å; D322-R325 PolarHBondContact O-N 3.31Å; D322-R325 IonicContact OD1-CZ 2.64Å; D322-R325 IonicContact OD1-NE 2.66Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.44Å; D322-R325 PolarHBondContact OD1-NH2 3.2Å; R325-Q327 VanDerWaalsContact C-N 3.25Å; R325-Q327 PolarHBondContact O-N 3.37Å; R325-V328 PolarHBondContact O-N 2.8Å; R325-E329 WeakPolarHBondContact O-CB 3.3Å; R325-E329 PolarHBondContact O-N 3.23Å
326N91.9Very high91.2Very high70 Ų70107.4 Ų107.437%0.37452%0.522SS..Hα-helixtrans-59.4-35178.4-62.610.5000112.1D322 Q330D322-N326 WeakPolarHBondContact O-CB 3.38Å; D322-N326 PolarHBondContact O-N 3.49Å; D322-N326 PolarHBondContact O-OD1 2.85Å; N326-Q330 WeakPolarHBondContact O-CB 3.48Å; N326-Q330 VanDerWaalsContact O-CG 3.26Å; N326-Q330 WeakPolarHBondContact O-CG 3.26Å; N326-Q330 PolarHBondContact O-N 3.24Å
327Q92.8Very high91.7Very high131 Ų131111.4 Ų111.461%0.61253%0.529SS*.Hα-helixtrans-66.9-40174.2178.6178.599.300113N323 R324 R325 G331N323-Q327 WeakPolarHBondContact O-CB 3.3Å; N323-Q327 PolarHBondContact O-N 3.02Å; R324-Q327 PolarHBondContact O-N 3.05Å; R325-Q327 VanDerWaalsContact C-N 3.25Å; R325-Q327 PolarHBondContact O-N 3.37Å; Q327-G331 PolarHBondContact O-N 2.85Å; Q327-G331 VanDerWaalsContact O-N 3.16Å
328V92.8Very high92.1Very high88 Ų88111.5 Ų111.553%0.53353%0.53SS..Hα-helixtrans-69-44.3175.7170.60000110.3R324 R325 G331 E332R324-V328 WeakPolarHBondContact O-CG2 3.41Å; R324-V328 PolarHBondContact O-N 2.86Å; R325-V328 PolarHBondContact O-N 2.8Å; V328-G331 CarbonylContact O-C 3.54Å; V328-G331 WeakPolarHBondContact O-CA 3.28Å; V328-G331 PolarHBondContact O-N 3.26Å; V328-G331 VanDerWaalsContact O-N 3.09Å; V328-E332 PolarHBondContact O-N 2.79Å
329E93Very high92.5Very high96 Ų96110 Ų11045%0.44953%0.527SS..Hα-helixtrans-59.9-49.6178.4-168.4165.7-159.300111.5R325 G331 E332 E333R325-E329 WeakPolarHBondContact O-CB 3.3Å; R325-E329 PolarHBondContact O-N 3.23Å; E329-G331 PolarHBondContact O-N 3.12Å; E329-E332 PolarHBondContact O-N 2.84Å; E329-E332 VanDerWaalsContact O-N 3.15Å; E329-E333 WeakPolarHBondContact O-CG 3.5Å; E329-E333 PolarHBondContact O-N 3.31Å
330Q91.6Very high92.8Very high113 Ų113106.5 Ų106.553%0.52852%0.519SS..Hα-helixtrans-62.3-29.5172.9-74.4176.77.400113.6N326 Q334N326-Q330 WeakPolarHBondContact O-CB 3.48Å; N326-Q330 VanDerWaalsContact O-CG 3.26Å; N326-Q330 WeakPolarHBondContact O-CG 3.26Å; N326-Q330 PolarHBondContact O-N 3.24Å; Q330-Q334 WeakPolarHBondContact O-CB 3.44Å; Q330-Q334 VanDerWaalsContact O-CG 3.25Å; Q330-Q334 WeakPolarHBondContact O-CG 3.14Å; Q330-Q334 PolarHBondContact O-N 2.98Å; Q330-Q334 PolarHBondContact O-NE2 2.93Å
331G91.1Very high93Very high19 Ų19104 Ų10420%0.19650%0.502CS..Hα-helixtrans-70-46.217300000111.5Q327 V328 E329 Q334 F335Q327-G331 PolarHBondContact O-N 2.85Å; Q327-G331 VanDerWaalsContact O-N 3.16Å; V328-G331 CarbonylContact O-C 3.54Å; V328-G331 WeakPolarHBondContact O-CA 3.28Å; V328-G331 PolarHBondContact O-N 3.26Å; V328-G331 VanDerWaalsContact O-N 3.09Å; E329-G331 PolarHBondContact O-N 3.12Å; G331-Q334 PolarHBondContact O-N 3.16Å; G331-F335 WeakPolarHBondContact O-CD2 3.46Å; G331-F335 WeakPolarHBondContact O-CG 3.43Å; G331-F335 PolarHBondContact O-N 3.18Å
332E92.1Very high93.4Very high119 Ų119103.4 Ų103.456%0.55650%0.499SS*.Hα-helixtrans-62.5-43.8176.6-172.1168.9178.100111.6V328 E329 Q334 F335 L336V328-E332 PolarHBondContact O-N 2.79Å; E329-E332 PolarHBondContact O-N 2.84Å; E329-E332 VanDerWaalsContact O-N 3.15Å; E332-Q334 VanDerWaalsContact C-N 3.32Å; E332-Q334 PolarHBondContact O-N 3.46Å; E332-F335 PolarHBondContact O-N 3.25Å; E332-F335 VanDerWaalsContact O-N 3.17Å; E332-L336 HydrophobicContact CG-CD1 4.05Å; E332-L336 HydrophobicContact CG-CG 4.45Å; E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 VanDerWaalsContact O-CG 3.3Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 2.94Å
333E92.5Very high93.7Very high123 Ų123106.6 Ų106.658%0.57551%0.513SS*.Hα-helixtrans-57.4-42.1171.9-72.8-175.6142.900112.3E329 L336 Y337E329-E333 WeakPolarHBondContact O-CG 3.5Å; E329-E333 PolarHBondContact O-N 3.31Å; E333-L336 PolarHBondContact O-N 3.35Å; E333-Y337 VanDerWaalsContact O-CB 3.28Å; E333-Y337 WeakPolarHBondContact O-CB 3.46Å; E333-Y337 PolarHBondContact O-N 3.5Å
334Q92.7Very high93.8Very high127 Ų127109.3 Ų109.359%0.59352%0.515SS*.Hα-helixtrans-67.2-38.1175.9-76.2169.360.400112.3Q330 G331 E332 T338Q330-Q334 WeakPolarHBondContact O-CB 3.44Å; Q330-Q334 VanDerWaalsContact O-CG 3.25Å; Q330-Q334 WeakPolarHBondContact O-CG 3.14Å; Q330-Q334 PolarHBondContact O-N 2.98Å; Q330-Q334 PolarHBondContact O-NE2 2.93Å; G331-Q334 PolarHBondContact O-N 3.16Å; E332-Q334 VanDerWaalsContact C-N 3.32Å; E332-Q334 PolarHBondContact O-N 3.46Å; Q334-T338 WeakPolarHBondContact O-CB 3.08Å; Q334-T338 WeakPolarHBondContact O-CG2 3.37Å; Q334-T338 PolarHBondContact O-N 3.4Å; Q334-T338 PolarHBondContact O-OG1 2.98Å
335F94.1Very high94Very high156 Ų156105.7 Ų105.768%0.68451%0.505SS*.Hα-helixtrans-68.2-40.9173.8-70.3-56.2000112.1G331 E332 T338 L339G331-F335 WeakPolarHBondContact O-CD2 3.46Å; G331-F335 WeakPolarHBondContact O-CG 3.43Å; G331-F335 PolarHBondContact O-N 3.18Å; E332-F335 PolarHBondContact O-N 3.25Å; E332-F335 VanDerWaalsContact O-N 3.17Å; F335-T338 WeakPolarHBondContact CA-OG1 3.4Å; F335-T338 PolarHBondContact O-OG1 3.43Å; F335-L339 WeakPolarHBondContact O-CB 3.41Å; F335-L339 PolarHBondContact O-N 2.91Å
336L94.3Very high94.2Very high98 Ų98104.9 Ų104.951%0.51351%0.511SS..Hα-helixtrans-64.3-44.3175.3-73167.2000111.6E332 E333 T340E332-L336 HydrophobicContact CG-CD1 4.05Å; E332-L336 HydrophobicContact CG-CG 4.45Å; E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 VanDerWaalsContact O-CG 3.3Å; E332-L336 WeakPolarHBondContact O-CG 3.35Å; E332-L336 PolarHBondContact O-N 2.94Å; E333-L336 PolarHBondContact O-N 3.35Å; L336-T340 WeakPolarHBondContact O-CB 3.17Å; L336-T340 PolarHBondContact O-N 3.28Å; L336-T340 PolarHBondContact O-OG1 3.07Å
337Y95.5Very high94.3Very high168 Ų168106.2 Ų106.266%0.65952%0.515SS*.Hα-helixtrans-62.9-47.1176.4-179-93.7000112E333 T340 D341E333-Y337 VanDerWaalsContact O-CB 3.28Å; E333-Y337 WeakPolarHBondContact O-CB 3.46Å; E333-Y337 PolarHBondContact O-N 3.5Å; Y337-T340 PolarHBondContact O-N 2.79Å; Y337-D341 PolarHBondContact O-N 2.91Å
338T95.8Very high94.4Very high68 Ų68103.4 Ų103.442%0.41750%0.502SS..Hα-helixtrans-69.6-35.1179.550.70000112.6Q334 F335 D341 L342Q334-T338 WeakPolarHBondContact O-CB 3.08Å; Q334-T338 WeakPolarHBondContact O-CG2 3.37Å; Q334-T338 PolarHBondContact O-N 3.4Å; Q334-T338 PolarHBondContact O-OG1 2.98Å; F335-T338 WeakPolarHBondContact CA-OG1 3.4Å; F335-T338 PolarHBondContact O-OG1 3.43Å; T338-D341 PolarHBondContact O-N 2.89Å; T338-L342 WeakPolarHBondContact O-CB 3.47Å; T338-L342 VanDerWaalsContact O-CG 3.25Å; T338-L342 WeakPolarHBondContact O-CG 3.28Å; T338-L342 PolarHBondContact O-N 3.25Å
339L96.1Very high94.4Very high92 Ų92105 Ų10548%0.48250%0.503SS..Hα-helixtrans-62.9-47.4171.3-174.5150.9000110.9F335 D341 L342 E343F335-L339 WeakPolarHBondContact O-CB 3.41Å; F335-L339 PolarHBondContact O-N 2.91Å; L339-D341 VanDerWaalsContact C-N 3.3Å; L339-D341 PolarHBondContact O-N 3.26Å; L339-L342 PolarHBondContact O-N 2.89Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L339-E343 HydrophobicContact CD2-CG 4.15Å; L339-E343 WeakPolarHBondContact O-CG 3.4Å; L339-E343 PolarHBondContact O-N 2.85Å
340T95.8Very high94.5Very high84 Ų84106 Ų10652%0.51551%0.506SS..Hα-helixtrans-60.4-38.5177-54.40000111.8L336 Y337 R344L336-T340 WeakPolarHBondContact O-CB 3.17Å; L336-T340 PolarHBondContact O-N 3.28Å; L336-T340 PolarHBondContact O-OG1 3.07Å; Y337-T340 PolarHBondContact O-N 2.79Å; T340-R344 WeakPolarHBondContact O-CB 3.33Å; T340-R344 PolarHBondContact O-N 3.5Å
341D96.5Very high94.7Very high38 Ų38105.6 Ų105.620%0.20350%0.503CS..Hα-helixtrans-69.8-39.4174.4-172.450.2000112.7Y337 T338 L339 E343 R344 Q345Y337-D341 PolarHBondContact O-N 2.91Å; T338-D341 PolarHBondContact O-N 2.89Å; L339-D341 VanDerWaalsContact C-N 3.3Å; L339-D341 PolarHBondContact O-N 3.26Å; D341-E343 VanDerWaalsContact C-N 3.34Å; D341-E343 PolarHBondContact O-N 3.46Å; D341-R344 WeakPolarHBondContact O-CB 3.13Å; D341-R344 PolarHBondContact O-N 2.76Å; D341-R344 IonicContact OD1-CZ 2.63Å; D341-R344 IonicContact OD1-NE 2.66Å; D341-R344 PolarHBondContact OD1-NE 2.88Å; D341-R344 IonicContact OD1-NH2 3.14Å; D341-R344 PolarHBondContact OD1-NH2 2.89Å; D341-Q345 WeakPolarHBondContact O-CB 3.45Å; D341-Q345 VanDerWaalsContact O-CG 3.3Å; D341-Q345 WeakPolarHBondContact O-CG 3.36Å; D341-Q345 PolarHBondContact O-N 3.32Å; D341-Q345 PolarHBondContact OD2-NE2 3.22Å
342L96.5Very high94.7Very high102 Ų102109.3 Ų109.353%0.53452%0.515SS..Hα-helixtrans-65.7-36.5175.8-72.5169000112.1T338 L339 Q345 L346T338-L342 WeakPolarHBondContact O-CB 3.47Å; T338-L342 VanDerWaalsContact O-CG 3.25Å; T338-L342 WeakPolarHBondContact O-CG 3.28Å; T338-L342 PolarHBondContact O-N 3.25Å; L339-L342 PolarHBondContact O-N 2.89Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L342-Q345 PolarHBondContact O-N 3.01Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 PolarHBondContact O-N 2.73Å
343E95.8Very high94.6Very high119 Ų119106.3 Ų106.356%0.55651%0.511SS*.Hα-helixtrans-63.6-44.6170.2-72.3-173.2155.100111.6L339 D341 Q345 L346 E347L339-E343 HydrophobicContact CD2-CG 4.15Å; L339-E343 WeakPolarHBondContact O-CG 3.4Å; L339-E343 PolarHBondContact O-N 2.85Å; D341-E343 VanDerWaalsContact C-N 3.34Å; D341-E343 PolarHBondContact O-N 3.46Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.37Å; E343-L346 PolarHBondContact O-N 2.76Å; E343-E347 PolarHBondContact O-N 3.24Å
344R96.3Very high94.4Very high167 Ų167106.1 Ų106.163%0.6351%0.51SS*.Hα-helixtrans-58.9-43.3173.7179.7177.174.11541.3112T340 D341 E347 E348T340-R344 WeakPolarHBondContact O-CB 3.33Å; T340-R344 PolarHBondContact O-N 3.5Å; D341-R344 WeakPolarHBondContact O-CB 3.13Å; D341-R344 PolarHBondContact O-N 2.76Å; D341-R344 IonicContact OD1-CZ 2.63Å; D341-R344 IonicContact OD1-NE 2.66Å; D341-R344 PolarHBondContact OD1-NE 2.88Å; D341-R344 IonicContact OD1-NH2 3.14Å; D341-R344 PolarHBondContact OD1-NH2 2.89Å; R344-E347 PolarHBondContact O-N 3.08Å; R344-E348 WeakPolarHBondContact O-CB 3.26Å; R344-E348 PolarHBondContact O-N 3.37Å
345Q96.1Very high94.2Very high101 Ų101103.1 Ų103.147%0.47250%0.498SS..Hα-helixtrans-65.8-40.8176-71.9-176.242.800111.7D341 L342 E343 E348 Q349D341-Q345 WeakPolarHBondContact O-CB 3.45Å; D341-Q345 VanDerWaalsContact O-CG 3.3Å; D341-Q345 WeakPolarHBondContact O-CG 3.36Å; D341-Q345 PolarHBondContact O-N 3.32Å; D341-Q345 PolarHBondContact OD2-NE2 3.22Å; L342-Q345 PolarHBondContact O-N 3.01Å; E343-Q345 VanDerWaalsContact C-N 3.34Å; E343-Q345 PolarHBondContact O-N 3.37Å; Q345-E348 PolarHBondContact O-N 3.14Å; Q345-Q349 WeakPolarHBondContact O-CB 3.11Å; Q345-Q349 VanDerWaalsContact O-CG 3.3Å; Q345-Q349 WeakPolarHBondContact O-CG 3.27Å; Q345-Q349 PolarHBondContact O-N 3.08Å
346L94.6Very high93.7Very high124 Ų124102 Ų10265%0.64950%0.495SS*.Hα-helixtrans-63.7-43175.2-86.2175.3000112.4L342 E343 Q349 K350L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 PolarHBondContact O-N 2.73Å; E343-L346 PolarHBondContact O-N 2.76Å; L346-Q349 PolarHBondContact O-N 3.36Å; L346-K350 WeakPolarHBondContact O-CB 3.36Å; L346-K350 PolarHBondContact O-N 3.29Å
347E94.9Very high93.2Very high98 Ų98106.9 Ų106.946%0.45851%0.506SS..Hα-helixtrans-68.8-37.8179.3-169.356.4-144.300111.7E343 R344 K350 K351E343-E347 PolarHBondContact O-N 3.24Å; R344-E347 PolarHBondContact O-N 3.08Å; E347-K350 PolarHBondContact O-N 2.89Å; E347-K350 IonicContact OE1-NZ 3.61Å; E347-K350 PolarHBondContact OE1-NZ 3.02Å; E347-K350 IonicContact OE2-NZ 2.64Å; E347-K350 PolarHBondContact OE2-NZ 3.33Å; E347-K351 WeakPolarHBondContact O-CB 3.21Å; E347-K351 PolarHBondContact O-N 3.25Å
348E94.6Very high92.6Very high71 Ų71103 Ų10333%0.33250%0.496SS..Hα-helixtrans-67.1-39.4173-17857-149.900112R344 Q345 K351 Q352R344-E348 WeakPolarHBondContact O-CB 3.26Å; R344-E348 PolarHBondContact O-N 3.37Å; Q345-E348 PolarHBondContact O-N 3.14Å; E348-K351 PolarHBondContact O-N 3.48Å; E348-K351 IonicContact OE1-NZ 2.72Å; E348-K351 IonicContact OE2-NZ 3.31Å; E348-K351 PolarHBondContact OE2-NZ 2.84Å; E348-Q352 WeakPolarHBondContact O-CB 3.5Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.43Å; E348-Q352 PolarHBondContact O-N 3.16Å; E348-Q352 WeakPolarHBondContact OE1-CG 3.32Å; E348-Q352 PolarHBondContact OE1-NE2 3.4Å
349Q93.6Very high92Very high121 Ų121105.5 Ų105.557%0.56550%0.501SS*.Hα-helixtrans-62.2-44.3171.7-77.1-66.3-34.200112.2Q345 L346 Q352 A353Q345-Q349 WeakPolarHBondContact O-CB 3.11Å; Q345-Q349 VanDerWaalsContact O-CG 3.3Å; Q345-Q349 WeakPolarHBondContact O-CG 3.27Å; Q345-Q349 PolarHBondContact O-N 3.08Å; L346-Q349 PolarHBondContact O-N 3.36Å; Q349-Q352 PolarHBondContact O-N 3.27Å; Q349-A353 WeakPolarHBondContact O-CB 3.49Å; Q349-A353 PolarHBondContact O-N 2.85Å
350K94.6Very high90.8Very high117 Ų117104 Ų10451%0.50950%0.498SS..Hα-helixtrans-60.9-43.9176.1167.4164.6159.8-89.10111.6L346 E347 A353 Q354L346-K350 WeakPolarHBondContact O-CB 3.36Å; L346-K350 PolarHBondContact O-N 3.29Å; E347-K350 PolarHBondContact O-N 2.89Å; E347-K350 IonicContact OE1-NZ 3.61Å; E347-K350 PolarHBondContact OE1-NZ 3.02Å; E347-K350 IonicContact OE2-NZ 2.64Å; E347-K350 PolarHBondContact OE2-NZ 3.33Å; K350-A353 PolarHBondContact O-N 3.37Å; K350-Q354 PolarHBondContact O-N 3.31Å
351K94.5Very high89.5Confident106 Ų106105.4 Ų105.446%0.46150%0.499SS..Hα-helixtrans-62.9-46.8173.3173.9179.6151.7-139.60111.9E347 E348 A353 Q354 D355E347-K351 WeakPolarHBondContact O-CB 3.21Å; E347-K351 PolarHBondContact O-N 3.25Å; E348-K351 PolarHBondContact O-N 3.48Å; E348-K351 IonicContact OE1-NZ 2.72Å; E348-K351 IonicContact OE2-NZ 3.31Å; E348-K351 PolarHBondContact OE2-NZ 2.84Å; K351-A353 VanDerWaalsContact C-N 3.33Å; K351-A353 PolarHBondContact O-N 3.19Å; K351-Q354 PolarHBondContact O-N 3.03Å; K351-D355 WeakPolarHBondContact O-CB 3.39Å; K351-D355 PolarHBondContact O-N 3.04Å
352Q91.5Very high87.9Confident97 Ų97107.8 Ų107.845%0.45352%0.515SS..Hα-helixtrans-62.4-38.1176.1-73.3177.623.100112.4E348 Q349 D355 H356E348-Q352 WeakPolarHBondContact O-CB 3.5Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.43Å; E348-Q352 PolarHBondContact O-N 3.16Å; E348-Q352 WeakPolarHBondContact OE1-CG 3.32Å; E348-Q352 PolarHBondContact OE1-NE2 3.4Å; Q349-Q352 PolarHBondContact O-N 3.27Å; Q352-D355 PolarHBondContact O-N 3.35Å; Q352-H356 WeakPolarHBondContact O-CB 3.5Å; Q352-H356 PolarHBondContact O-N 3.13Å
353A89.9Confident86.1Confident56 Ų56107.5 Ų107.546%0.46352%0.517SS..Hα-helixtrans-66.3-38.8173.700000112.6Q349 K350 K351 H356 R357Q349-A353 WeakPolarHBondContact O-CB 3.49Å; Q349-A353 PolarHBondContact O-N 2.85Å; K350-A353 PolarHBondContact O-N 3.37Å; K351-A353 VanDerWaalsContact C-N 3.33Å; K351-A353 PolarHBondContact O-N 3.19Å; A353-H356 PolarHBondContact O-N 3.13Å; A353-R357 WeakPolarHBondContact O-CG 3.49Å; A353-R357 PolarHBondContact O-N 3.4Å
354Q88.6Confident84.2Confident118 Ų118108.1 Ų108.155%0.55152%0.52SS*.Hα-helixtrans-65.5-45.8173178.6171.6-19.700111.5K350 K351 H356 R357 L358K350-Q354 PolarHBondContact O-N 3.31Å; K351-Q354 PolarHBondContact O-N 3.03Å; Q354-H356 VanDerWaalsContact C-N 3.32Å; Q354-H356 PolarHBondContact O-N 2.88Å; Q354-R357 WeakPolarHBondContact O-CB 3.5Å; Q354-R357 PolarHBondContact O-N 3.42Å; Q354-R357 VanDerWaalsContact O-N 3.16Å; Q354-L358 HydrophobicContact CG-CD1 4.25Å; Q354-L358 WeakPolarHBondContact O-CG 3.29Å; Q354-L358 PolarHBondContact O-N 2.85Å
355D88.8Confident82.3Confident65 Ų65105 Ų10535%0.34852%0.516SS..Hα-helixtrans-58.4-43.3174.7-111.235000111.7K351 Q352 L358 K359K351-D355 WeakPolarHBondContact O-CB 3.39Å; K351-D355 PolarHBondContact O-N 3.04Å; Q352-D355 PolarHBondContact O-N 3.35Å; D355-L358 PolarHBondContact O-N 3Å; D355-K359 WeakPolarHBondContact O-CB 3.35Å; D355-K359 WeakPolarHBondContact O-CD 3.35Å; D355-K359 WeakPolarHBondContact O-CG 3.49Å; D355-K359 PolarHBondContact O-N 3.24Å; D355-K359 WeakPolarHBondContact OD2-CE 3.21Å; D355-K359 IonicContact OD2-NZ 3.45Å; D355-K359 PolarHBondContact OD2-NZ 3.29Å
356H83.1Confident80.3Confident133 Ų133105.2 Ų105.262%0.61652%0.524SS*.Hα-helixtrans-65.4-38.3176.2-174-98.7000111.9Q352 A353 Q354 S360Q352-H356 WeakPolarHBondContact O-CB 3.5Å; Q352-H356 PolarHBondContact O-N 3.13Å; A353-H356 PolarHBondContact O-N 3.13Å; Q354-H356 VanDerWaalsContact C-N 3.32Å; Q354-H356 PolarHBondContact O-N 2.88Å; H356-S360 WeakPolarHBondContact O-CB 3.26Å; H356-S360 PolarHBondContact O-N 2.78Å
357R83.8Confident78.3Confident200 Ų200104.9 Ų104.976%0.75553%0.527SS*.Hα-helixtrans-61.4-47.5171.5-77.8-175.8175.5-153.20.7111.9A353 Q354 S360 Q361A353-R357 WeakPolarHBondContact O-CG 3.49Å; A353-R357 PolarHBondContact O-N 3.4Å; Q354-R357 WeakPolarHBondContact O-CB 3.5Å; Q354-R357 PolarHBondContact O-N 3.42Å; Q354-R357 VanDerWaalsContact O-N 3.16Å; R357-S360 PolarHBondContact O-N 3.07Å; R357-Q361 VanDerWaalsContact O-CB 3.3Å; R357-Q361 WeakPolarHBondContact O-CB 3.49Å; R357-Q361 PolarHBondContact O-N 3.32Å
358L83.7Confident76Confident85 Ų85106.2 Ų106.245%0.44554%0.536SS..Hα-helixtrans-64.1-41.5179.3-68.7170.7000112.1Q354 D355 T362Q354-L358 HydrophobicContact CG-CD1 4.25Å; Q354-L358 WeakPolarHBondContact O-CG 3.29Å; Q354-L358 PolarHBondContact O-N 2.85Å; D355-L358 PolarHBondContact O-N 3Å; L358-T362 WeakPolarHBondContact O-CB 3.4Å; L358-T362 PolarHBondContact O-N 3.43Å; L358-T362 PolarHBondContact O-OG1 3.16Å
359K81.6Confident73.3Confident122 Ų122109.8 Ų109.853%0.5356%0.555SS.*Hα-helixtrans-66.1-44.3175.6-70.2161.5-166.7166.60111.1D355 T362 V363D355-K359 WeakPolarHBondContact O-CB 3.35Å; D355-K359 WeakPolarHBondContact O-CD 3.35Å; D355-K359 WeakPolarHBondContact O-CG 3.49Å; D355-K359 PolarHBondContact O-N 3.24Å; D355-K359 WeakPolarHBondContact OD2-CE 3.21Å; D355-K359 IonicContact OD2-NZ 3.45Å; D355-K359 PolarHBondContact OD2-NZ 3.29Å; K359-T362 WeakPolarHBondContact O-CB 3.46Å; K359-T362 PolarHBondContact O-N 3.15Å; K359-V363 WeakPolarHBondContact O-CG2 3.43Å; K359-V363 PolarHBondContact O-N 3.12Å
360S72.5Confident71Confident59 Ų59109.3 Ų109.341%0.41356%0.562SS.*Hα-helixtrans-61.3-45.6175.6-176.30000112.1H356 R357 T362 V363 Q364H356-S360 WeakPolarHBondContact O-CB 3.26Å; H356-S360 PolarHBondContact O-N 2.78Å; R357-S360 PolarHBondContact O-N 3.07Å; S360-T362 VanDerWaalsContact C-N 3.33Å; S360-T362 PolarHBondContact O-N 3.04Å; S360-V363 PolarHBondContact O-N 3.33Å; S360-Q364 WeakPolarHBondContact O-CB 3.32Å; S360-Q364 PolarHBondContact O-N 3.02Å
361Q66.9Low68.5Low115 Ų115109.8 Ų109.854%0.53757%0.574SS.*Hα-helixtrans-63-37.8175.4-168.8173.335.300112R357 Q364 N365R357-Q361 VanDerWaalsContact O-CB 3.3Å; R357-Q361 WeakPolarHBondContact O-CB 3.49Å; R357-Q361 PolarHBondContact O-N 3.32Å; Q361-Q364 PolarHBondContact O-N 2.9Å; Q361-N365 VanDerWaalsContact O-CG 3.24Å; Q361-N365 PolarHBondContact O-N 3.04Å; Q361-N365 PolarHBondContact O-ND2 3.49Å
362T64Low66.3Low87 Ų87110.2 Ų110.253%0.53459%0.591SS.*Hα-helixtrans-63.9-46.9174.1-57.70000111.7L358 K359 S360 Q364 N365 V366L358-T362 WeakPolarHBondContact O-CB 3.4Å; L358-T362 PolarHBondContact O-N 3.43Å; L358-T362 PolarHBondContact O-OG1 3.16Å; K359-T362 WeakPolarHBondContact O-CB 3.46Å; K359-T362 PolarHBondContact O-N 3.15Å; S360-T362 VanDerWaalsContact C-N 3.33Å; S360-T362 PolarHBondContact O-N 3.04Å; T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 3.14Å; T362-N365 PolarHBondContact O-N 3.42Å; T362-V366 WeakPolarHBondContact O-CG2 3.21Å; T362-V366 PolarHBondContact O-N 2.81Å
363V58.6Low64Low96 Ų96111.4 Ų111.458%0.58261%0.605SS**Hα-helixtrans-61.2-41.2175.2172.30000111K359 S360 N365 V366 V367K359-V363 WeakPolarHBondContact O-CG2 3.43Å; K359-V363 PolarHBondContact O-N 3.12Å; S360-V363 PolarHBondContact O-N 3.33Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 2.8Å; V363-V366 PolarHBondContact O-N 3.27Å; V363-V367 WeakPolarHBondContact O-CG2 3.32Å; V363-V367 PolarHBondContact O-N 3.01Å; V363-V367 VanDerWaalsContact O-N 3.12Å
364Q56.3Low61.6Low132 Ų132115 Ų11562%0.61762%0.623SS**Hα-helixtrans-65.3-33.3178.2-166.8154.481.300112.5S360 Q361 T362S360-Q364 WeakPolarHBondContact O-CB 3.32Å; S360-Q364 PolarHBondContact O-N 3.02Å; Q361-Q364 PolarHBondContact O-N 2.9Å; T362-Q364 VanDerWaalsContact C-N 3.31Å; T362-Q364 PolarHBondContact O-N 3.14Å
365N56Low59.3Low103 Ų103119 Ų11955%0.55164%0.639SS**Hα-helixtrans-71.2-36.8172-71.3-20.9000112.8Q361 T362 V363 V367 L368Q361-N365 VanDerWaalsContact O-CG 3.24Å; Q361-N365 PolarHBondContact O-N 3.04Å; Q361-N365 PolarHBondContact O-ND2 3.49Å; T362-N365 PolarHBondContact O-N 3.42Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 2.8Å; N365-V367 VanDerWaalsContact C-N 3.31Å; N365-V367 PolarHBondContact O-N 3.38Å; N365-L368 PolarHBondContact O-N 2.96Å
366V54.8Low57.1Low105 Ų105121.4 Ų121.464%0.63666%0.658SS**Hα-helixtrans-66.9-32.1176.8171.80000112T362 V363 L368T362-V366 WeakPolarHBondContact O-CG2 3.21Å; T362-V366 PolarHBondContact O-N 2.81Å; V363-V366 PolarHBondContact O-N 3.27Å; V366-L368 PolarHBondContact O-N 3.36Å
367V51.8Low55.4Low116 Ų116121.3 Ų121.370%0.70367%0.669SS**THydrogen-bonded Turntrans-68.7-10.2176.1170.60000113.2V363 N365V363-V367 WeakPolarHBondContact O-CG2 3.32Å; V363-V367 PolarHBondContact O-N 3.01Å; V363-V367 VanDerWaalsContact O-N 3.12Å; N365-V367 VanDerWaalsContact C-N 3.31Å; N365-V367 PolarHBondContact O-N 3.38Å
368L45.8Very low53.2Low126 Ų126120.7 Ų120.766%0.6667%0.672SS**THydrogen-bonded Turntrans-99.817.4-177.1-69.9170.2000115N365 V366 P370N365-L368 PolarHBondContact O-N 2.96Å; V366-L368 PolarHBondContact O-N 3.36Å; L368-P370 WeakPolarHBondContact O-CD 3.28Å
369M39.7Very low51.4Low146 Ų146127.8 Ų127.872%0.71969%0.693SS**  trans-76.8117.2168.8-77.6-70.2106.200111.8V371M369-V371 PolarHBondContact O-N 2.79Å
370P43.8Very low49.7Very low112 Ų112127.4 Ų127.473%0.72770%0.703SS**  trans-84.282.3-169.133.6-36.2000113.7L368 S372L368-P370 WeakPolarHBondContact O-CD 3.28Å; P370-S372 PolarHBondContact O-N 3.13Å
371V42.6Very low48.4Very low126 Ų126134.1 Ų134.176%0.76472%0.719SS**  trans-75.5111.7170.9-178.60000110.4M369M369-V371 PolarHBondContact O-N 2.79Å
372S48.8Very low46.8Very low115 Ų115137 Ų13780%0.80474%0.738SS**  trans-87.6116.3-177.3-65.20000112.7P370P370-S372 PolarHBondContact O-N 3.13Å
373T42.7Very low45.4Very low123 Ų123138.5 Ų138.576%0.75574%0.738SS**  trans-138.4158.2171.455.90000113.3
374P40Very low44.6Very low130 Ų130143.8 Ų143.884%0.84475%0.748SS**PPolyproline II helixtrans-92172.5-162.6-9.330.1000116.6
375K41Very low44.2Very low204 Ų204143.4 Ų143.489%0.88776%0.757SS**PPolyproline II helixtrans-75147.6-172.8-63.9173.2-179.2170.60114.7
376P42.7Very low43.1Very low115 Ų115141.8 Ų141.875%0.74776%0.758SS**PPolyproline II helixtrans-85.4159.7174.934.7-36.3000114.7
377P46.3Very low42.3Very low130 Ų130142.5 Ų142.584%0.84477%0.767SS**  trans-80.5-174.8172.634.2-35.3000113.6
378K38.1Very low41.6Very low188 Ų188143.1 Ų143.182%0.81777%0.772SS**  trans-129.6159.5-157.9-57.1173.8177.7171.60115.5
379R45.7Very low41.2Very low233 Ų233142.3 Ų142.388%0.87977%0.772SS**  trans81.1160.8156.8-70.4177.3177.3179.10.1118
380P46.6Very low41.2Very low115 Ų115141 Ų14175%0.74777%0.772SS**  cis-133134.7-7.325-2.2000117.9
381R45Very low40.7Very low200 Ų200143.2 Ų143.276%0.75578%0.777SS**  33.9130.1120.5-171.9-164.1-164.5167.77.7121.2Q383R381-Q383 VanDerWaalsContact NE-OE1 3.08Å
382L33.1Very low40.2Very low176 Ų176142 Ų14292%0.92177%0.774SS**  trans-128.7171.4133.8-140.678.1000111
383Q34.3Very low40.1Very low117 Ų117142 Ų14255%0.54777%0.772SS.*  trans-113.8153.3-175.4-87.5178.8-126.700111.7R381R381-Q383 VanDerWaalsContact NE-OE1 3.08Å
384R41.9Very low39.7Very low208 Ų208141.7 Ų141.779%0.78577%0.774SS**  58.9140.168-104.6-168.9-169.9173.33.9112.5A386R384-A386 HydrophobicContact CG-CB 4.09Å
385P46.7Very low40.2Very low124 Ų124141.1 Ų141.181%0.80577%0.771SS**  cis-122.3171.14628.6-9.9000114.5
386A34.4Very low40.5Very low68 Ų68136.7 Ų136.756%0.56276%0.763SS**  cis100.5118.35.900000118.7R384R384-A386 HydrophobicContact CG-CB 4.09Å
387S36.8Very low40Very low120 Ų120137.4 Ų137.484%0.83977%0.765SS**  trans169.9145.2166.1-84.40000107.7
388T37.5Very low39.4Very low130 Ų130140.2 Ų140.280%0.79877%0.766SS**  cis-141.7-165.9-18.263.60000105.9
389T37.6Very low39.2Very low109 Ų109139.8 Ų139.867%0.66977%0.767SS**  cis-160.7133.9-13.5-120.50000104.9
390V39.5Very low39.3Very low119 Ų119133.2 Ų133.272%0.72176%0.755SS**  66.7125.880.7156.30000113
391L32.6Very low38.5Very low157 Ų157135.6 Ų135.682%0.82276%0.756SS**  cis-155.4174.98.3-121.7173.6000113
392S32.6Very low37.8Very low101 Ų101135 Ų13571%0.70676%0.759SS**  trans-99.3-173.3169.8-38.60000111.1
393P47.7Very low37.8Very low116 Ų116132.8 Ų132.875%0.75375%0.753SS**  -158.6144.355.739.8-15.2000121.7
394S32.7Very low37.7Very low116 Ų116134 Ų13481%0.81177%0.768SS**  trans70.4-177.4140.3-50.30000120.1
395P51.8Low37.4Very low118 Ų118131.3 Ų131.377%0.76677%0.768SS**  -127.3-155.4-98.143.1-23.3000112.5
396P47.3Very low36.9Very low111 Ų111129.9 Ų129.972%0.72176%0.761SS**  cis-141-177.6-3.544.9-25.7000118
397V31.1Very low37Very low130 Ų130132.7 Ų132.779%0.78877%0.773SS**  trans47.1108.6147.8173.40000121.4
398Q34.1Very low36.9Very low189 Ų189134.5 Ų134.588%0.88377%0.772SS**  -167179.8100-128.7168.916.100111.7
399Q33.5Very low36.6Very low178 Ų178134.2 Ų134.283%0.83277%0.77SS**  trans-152.3173-169-105.1-166.3-3.300110.3
400P48.7Very low36.4Very low96 Ų96136 Ų13662%0.62377%0.774SS**  cis-137.1168.8-25.533-13.7000114.5
401Q29.8Very low36.1Very low165 Ų165136 Ų13677%0.77177%0.774SS**  164.4123.3114.1-83.6-155-1100114.4
402F30.8Very low36.5Very low188 Ų188134.1 Ų134.183%0.82577%0.772SS**  trans33.6136.6155.2-55.8-72.7000124.1
403T31.6Very low36.5Very low128 Ų128136.6 Ų136.679%0.78578%0.782SS**  trans-141147.6170.2-49.40000108.5
404V32.9Very low35.9Very low144 Ų144134.3 Ų134.387%0.87378%0.779SS**  trans-119.1147.9174.5-179.70000109.2
405I34.6Very low36Very low151 Ų151137.4 Ų137.477%0.77478%0.781SS**  trans-118152.5-158.1-64.2174.3000112.9
406S36.4Very low35.1Very low94 Ų94136.6 Ų136.666%0.65778%0.779SS**  trans-53163.9-177.3-30.40000118.6
407P36.8Very low34.3Very low127 Ų127141.4 Ų141.483%0.82579%0.789SS**  trans-96.3157.6151.537.3-30.7000112.9
408I35.3Very low34.4Very low157 Ų157140.9 Ų140.981%0.80579%0.79SS**  trans-142.6152.5-179.2-69.1-176.1000111.7
409T31.3Very low34.3Very low124 Ų124141.3 Ų141.376%0.76180%0.795SS**  trans-56.1173.7179.311.90000115.5
410I34.1Very low34.1Very low147 Ų147135.9 Ų135.975%0.75479%0.786SS**  cis-162.317737.4-3.7168000108.7
411T31.4Very low33.2Very low118 Ų118138.9 Ų138.972%0.72480%0.797SS**  cis-159.3156.75.2-21.10000110
412P42.4Very low33.2Very low119 Ų119138.2 Ų138.277%0.77380%0.797SS**  trans-109.6169.5167.839.4-33.2000115.3
413V32.9Very low33.5Very low153 Ų153134.7 Ų134.793%0.92779%0.794SS**  trans-145.3135.7177.4172.20000111.9
414G34.7Very low33.5Very low67 Ų67134.9 Ų134.969%0.69179%0.794SS**  trans97.2107143.600000121.7
415Q35.2Very low33.4Very low181 Ų181132.8 Ų132.885%0.84679%0.792SS**  trans62.483.8140.6-62.3-173-56.200122.9
416S32.6Very low33.3Very low102 Ų102131.7 Ų131.771%0.71379%0.792SS**  45.9116.2116.263.80000124
417F29.1Very low33Very low212 Ų212135 Ų13593%0.9380%0.802SS**  -145.2169.8126.34.3-96.6000109.9
418S33.2Very low32.6Very low118 Ų118134.2 Ų134.283%0.82580%0.799SS**  trans-150.1113.3-167.7168.50000116.1
419M32.3Very low32.4Very low199 Ų199136.2 Ų136.298%0.9881%0.805SS**  trans-172.2142.6146.2-112-179.8172.600109.1
420G30.5Very low32.3Very low63 Ų63133.5 Ų133.565%0.64980%0.802SS**  cis176.355.5-3.600000117.8
421N28.3Very low32.1Very low159 Ų159133 Ų13385%0.8581%0.811SS**  trans65.3165.1161.3-59.2-10.2000117
422I31.1Very low31.9Very low151 Ų151132.5 Ų132.577%0.77481%0.812SS**  cis-137.7159.316.1-21176.4000110.3
423P37.3Very low32Very low115 Ų115132.1 Ų132.175%0.74781%0.81SS**  -145.8158.4104.838.2-24000116.5
424V31.7Very low31.6Very low132 Ų132131.4 Ų131.480%0.881%0.806SS**  trans37.1130.3145.4-176.30000120.6
425A30.4Very low31.4Very low99 Ų99133.7 Ų133.782%0.81881%0.807SS**  trans-135.5144.9158.600000111.2
426T32.3Very low30.9Very low128 Ų128131.2 Ų131.279%0.78580%0.804SS**  trans-114172.8175.750.30000111.7
427L30.2Very low30.6Very low164 Ų164134.4 Ų134.486%0.85981%0.807SS**  trans-74.7144.5-163.1-68.567.9000114.1
428S27.6Very low30.6Very low110 Ų110131.2 Ų131.277%0.76981%0.805SS**  -178.8133.8105.356.20000115.5
429Q32Very low30.6Very low200 Ų200133 Ų13394%0.93581%0.805SS**  trans16.2137.4151.4-53.8-1795.400121.7
430G28.6Very low30.9Very low67 Ų67129.1 Ų129.169%0.69179%0.794SS**  trans17645.9166.300000122.3
431S29.6Very low30.9Very low136 Ų136131.9 Ų131.995%0.95180%0.804SS**  trans64.8167.7165.467.90000119.5
432S28.6Very low30.8Very low107 Ų107127.8 Ų127.875%0.74880%0.799SS**  trans-123.1175.3-172.174.70000110.3
433P44.2Very low31.2Very low112 Ų112126.9 Ų126.973%0.72780%0.803SS**  -152.7169.35742.3-21.2000119.5
434V25.2Very low31.1Very low138 Ų138128.7 Ų128.784%0.83680%0.801SS**  trans77.8146.6148.5162.10000121.1
435T29Very low31.1Very low115 Ų115130.4 Ų130.471%0.70681%0.805SS**  trans-66.1172.7-179.240.70000114
436V26.3Very low30.9Very low129 Ų129133.1 Ų133.178%0.78280%0.798SS**  cis-154.1166.540.8-148.20000113.9
437H26.1Very low30.7Very low168 Ų168139 Ų13978%0.77881%0.806SS**  trans-58.6150-179.3-60.3-103.7000117
438T28.9Very low30.5Very low145 Ų145141.3 Ų141.389%0.8981%0.805SS**  trans-139.1118.7136.1540000111.1
439L31.8Very low30.4Very low157 Ų157140.7 Ų140.782%0.82281%0.806SS**  trans-120.7147.4163.2-144.985.2000105.8
440P39.6Very low30.1Very low116 Ų116137.1 Ų137.175%0.75380%0.799SS**  -155.1153.184.139-20.3000116.6
441S29.6Very low29.9Very low122 Ų122140.3 Ų140.385%0.85380%0.804SS**  -174.9139.8128.8-81.70000110.8
442G26.9Very low29.8Very low73 Ų73140.1 Ų140.175%0.75380%0.797SS**  trans-132.6-146.7173.800000109.7
443P39.5Very low29.7Very low131 Ų131140.1 Ų140.185%0.85180%0.797SS**  cis-132.4175.4740.7-23.8000116
444Q34.7Very low28.7Very low153 Ų153140.6 Ų140.672%0.71580%0.803SS**  trans-67.6165.6169.9-69.9-79.57.500113.6
445L31.8Very low28.8Very low169 Ų169138.9 Ų138.989%0.88580%0.804SS**  trans-14594.9147.9-113.5178.2000113.3
446F27.4Very low28.7Very low155 Ų155142.6 Ų142.668%0.6881%0.81SS**  trans-78.2161.1155.9-87-109.9000110
447R26.7Very low28.8Very low252 Ų252141.4 Ų141.495%0.95181%0.807SS**  trans-95.5143.8161.6-80.9-174.1173.8164.2-0.1111.2
448Y26.7Very low28.9Very low213 Ų213138.1 Ų138.184%0.83580%0.803SS**  trans-110.6159.3-175.4-78.2-100.4000112.1
449A24.4Very low29.1Very low96 Ų96136.8 Ų136.879%0.79380%0.8SS**  trans-145.979.7149.300000111
450T26.7Very low29.5Very low126 Ų126134.4 Ų134.477%0.77379%0.794SS**  trans27.3128.8154.1280000121.9
451V24.9Very low28.9Very low134 Ų134135.7 Ų135.781%0.81279%0.794SS**  trans-96.2139.7150-176.80000109
452V26.5Very low28.7Very low131 Ų131136 Ų13679%0.79479%0.791SS**  trans-108.6127.7167.5172.90000108.8
453S26.1Very low28.8Very low107 Ų107138.2 Ų138.275%0.74879%0.79SS**  trans-100.2140.3173.2-68.40000111.4
454S24.2Very low28.2Very low123 Ų123137.9 Ų137.986%0.8679%0.785SS**  trans-148.9142.8156.6-80.80000108.7
455A26.5Very low27.9Very low102 Ų102138.5 Ų138.584%0.84379%0.792SS**  trans-91.6166.2-162.500000113.6
456K27.3Very low27.8Very low192 Ų192138.2 Ų138.284%0.83579%0.786SS**  164.6142.3107.2-170.4173.8-176.7179.60112.8
457S28.3Very low28.3Very low104 Ų104136.4 Ų136.473%0.72779%0.79SS**  trans63.1146.4165.733.70000118.6
458S28.3Very low28.4Very low100 Ų100129.9 Ų129.970%0.69978%0.783SS**  cis-169.9146.5-12.743.60000112.9
459S33.1Very low28.7Very low116 Ų116125.8 Ų125.881%0.81179%0.785SS**  trans66.3156.4162.335.50000119.1
460P40.2Very low29Very low107 Ų107127 Ų12770%0.69579%0.788SS**  trans-113.5166.4-164.642.8-33.2000114.6
461D26.1Very low29.3Very low143 Ų143128.8 Ų128.877%0.76579%0.792SS**  -179.5127.6106.6-104.7-32.2000115.1
462T26.5Very low29.6Very low128 Ų128127.2 Ų127.279%0.78579%0.793SS**  trans47.9-177141.4-150.70000123.1
463V28.2Very low29.6Very low121 Ų121129.4 Ų129.473%0.73380%0.8SS**  trans81.8121.3176.9-163.40000118.7
464T28.1Very low29.8Very low123 Ų123132.2 Ų132.276%0.75581%0.805SS**PPolyproline II helixtrans-60.2147.8171.745.60000115.3
465I28Very low29.8Very low166 Ų166131.5 Ų131.585%0.85180%0.8SS**PPolyproline II helixtrans-96.7124.2170.6-59.3174.2000110.4
466H30.5Very low30Very low163 Ų163132 Ų13276%0.75580%0.798SS**PPolyproline II helixtrans-101.3139.1160.4-106.9-101.4000109
467P37.3Very low30.1Very low117 Ų117128.7 Ų128.776%0.7679%0.793SS**PPolyproline II helixtrans-75.3137.7165.731.5-32000109.9
468S28.7Very low30.2Very low116 Ų116128.2 Ų128.281%0.81180%0.796SS**  trans-150.8133.3168.4-73.10000109.5
469S33Very low30.3Very low127 Ų127131.6 Ų131.689%0.88880%0.803SS**  trans-71.1152.6-173.9-46.60000112.4
470S29.7Very low30.2Very low121 Ų121135.8 Ų135.885%0.84681%0.809SS**  trans-153.6146.9146.8-151.60000112.3
471L33.3Very low29.7Very low163 Ų163138.7 Ų138.785%0.85382%0.819SS**  trans-98.7160.4169-72164.6000109
472A31.9Very low29.7Very low102 Ų102134.9 Ų134.984%0.84381%0.813SS**  trans-129.5139.1169.600000110.4
473L25.4Very low29.9Very low177 Ų177134.1 Ų134.193%0.92781%0.814SS**  trans-100160.3-176.9-72.1163.6000111.5
474L30.5Very low30.2Very low165 Ų165134.3 Ų134.386%0.86482%0.815SS**  trans-84.5140.4170.5-65.3170000111.2
475S25.3Very low30.4Very low108 Ų108137 Ų13776%0.75582%0.824SS**  168.2155.8125.6-78.30000114.9
476S30Very low30.6Very low113 Ų113132.6 Ų132.679%0.7982%0.819SS**  trans77148.7154.490.20000117.1
477T30.4Very low30.7Very low122 Ų122132.7 Ų132.775%0.74883%0.825SS**  cis-151.5154.2-1.6480000111.7
478A29.1Very low30.4Very low94 Ų94135.6 Ų135.678%0.77783%0.831SS**  trans173.1116.3137.300000109.8
479M30.2Very low30.5Very low171 Ų171135.2 Ų135.284%0.84282%0.824SS**  88.499.658.1-74.9-71.8156.800115.2
480Q31.9Very low30.4Very low204 Ų204134.8 Ų134.895%0.95382%0.816SS**  trans-171176.1132.3-104.2171.628.800112.3
481D28.8Very low30.4Very low169 Ų169137.2 Ų137.290%0.90482%0.816SS**  trans-134.3166.5-15117827.9000112.4
482G27.9Very low30.2Very low62 Ų62135.8 Ų135.864%0.63981%0.814SS**  trans150.238.3163.500000124.8
483S30.7Very low30.3Very low113 Ų113135.4 Ų135.479%0.7981%0.805SS**  trans68165.4144.2-152.60000124.1
484T33.5Very low30.9Very low124 Ų124132.1 Ų132.176%0.76179%0.794SS**  trans79.493.6163.459.40000123.3
485L33.2Very low30.7Very low181 Ų181129.8 Ų129.895%0.94879%0.786SS**  49.4125.6115.2-150.383.9000121.7
486G30.5Very low30.9Very low73 Ų73132 Ų13275%0.75379%0.785SS**  trans170.1127.4159.400000116.3
487N32.4Very low30.6Very low164 Ų164132.9 Ų132.988%0.87778%0.78SS**  trans-86.9164.6-177.6-64.5-16.1000114.2
488M31.1Very low30.4Very low179 Ų179132.1 Ų132.188%0.88278%0.775SS**  trans103.8149.4138.5-155.9157.7179.300119.7
489T31.2Very low30.2Very low107 Ų107132.7 Ų132.766%0.65678%0.779SS**  trans-60.5156.8-175.352.40000116.2
490T31.3Very low30Very low118 Ų118132.7 Ų132.772%0.72478%0.78SS**  147.6127.1120.2-72.30000114.8
491M30.3Very low29.9Very low173 Ų173132 Ų13285%0.85278%0.776SS**  trans34.6149.6149.6-70.2-172.2173.500125.2
492V28.5Very low30Very low133 Ų133129.4 Ų129.481%0.80677%0.772SS**  trans87.9144.7137.7154.30000120
493S33.7Very low30Very low94 Ų94129.2 Ų129.266%0.65777%0.77SS**  trans-91.5146.4177.7170.10000112
494P37.6Very low29.8Very low108 Ų108131.8 Ų131.870%0.70177%0.774SS**  -136.3156.3124.442.3-31.5000111
495V27.2Very low29.5Very low115 Ų115131.4 Ų131.470%0.69777%0.771SS**  62.7118.551.3-173.80000108.5
496E28.4Very low29.3Very low156 Ų156128.5 Ų128.573%0.72977%0.766SS**  cis-164.3-178.525.3-139.1-176.7141.200113.4
497L24.2Very low29.2Very low130 Ų130128.9 Ų128.968%0.68176%0.762SS**  trans58.2104.7150.2-66.3173.2000124.1
498V26.5Very low28.9Very low107 Ų107128.1 Ų128.165%0.64876%0.756SS**  56.2134.599.4172.80000121.8M500V498-M500 HydrophobicContact CG1-CB 4.37Å; V498-M500 HydrophobicContact CG1-CG 3.7Å; V498-M500 HydrophobicContact CG1-SD 4.1Å
499A25Very low28.7Very low105 Ų105128 Ų12887%0.86875%0.754SS**  trans-126.2143.7138.400000109.8
500M27Very low28.4Very low172 Ų172127 Ų12785%0.84776%0.756SS**  trans-134142.4-175.8-82169.968.100112.2V498V498-M500 HydrophobicContact CG1-CB 4.37Å; V498-M500 HydrophobicContact CG1-CG 3.7Å; V498-M500 HydrophobicContact CG1-SD 4.1Å
501E28.1Very low28.1Very low189 Ų189127.6 Ų127.688%0.88376%0.759SS**  trans-176.5142.6150.2-175.7165.7-117.100107.1
502S31.5Very low27.9Very low115 Ų115129 Ų12980%0.80476%0.764SS**  cis-162169-29.3-94.80000106.3
503G27.6Very low27.8Very low58 Ų58126.7 Ų126.760%0.59875%0.754SS**  cis159.2164.42.500000109.2
504L27.4Very low27.4Very low167 Ų167128.2 Ų128.287%0.87476%0.759SS**  trans71.1119.7-175.6-56.1152.1000114.7
505T27.2Very low27Very low116 Ų116127.4 Ų127.471%0.71276%0.756SS**  cis97.6114.910.3800000118.8
506S29.1Very low27.2Very low120 Ų120129.5 Ų129.584%0.83976%0.758SS**  trans72.4150.1146.5-59.80000120.1
507A27.8Very low27.2Very low80 Ų80129.7 Ų129.766%0.66176%0.764SS**  cis-172.3167.3-1900000112
508I26.6Very low27.4Very low149 Ų149126.8 Ų126.876%0.76477%0.765SS**  trans80.3125.7149.7-74.9157.9000121.4
509Q26.2Very low27.5Very low176 Ų176130.6 Ų130.682%0.82278%0.776SS**  trans52.9112.1149.9-73.9179.6-85.900124.5
510A25.4Very low27.8Very low85 Ų85131.6 Ų131.670%0.70277%0.771SS**  81.2158.9109.400000122.3
511V25.9Very low27.9Very low131 Ų131131.7 Ų131.779%0.79477%0.774SS**  trans67.2104176.2-168.50000114.9
512E26.1Very low28Very low203 Ų203130.3 Ų130.395%0.94977%0.771SS**  trans-112.3120162-174.2164.8-142.400108.7
513S26Very low27.8Very low85 Ų85133.2 Ų133.259%0.59477%0.771SS**  trans-158.7146.7177.7620000110.5
514T25.8Very low27.9Very low125 Ų125138.1 Ų138.177%0.76778%0.782SS**  trans64.9108.9171.7640000118.1
515S28.9Very low28.2Very low91 Ų91135.7 Ų135.764%0.63677%0.77SS**  85.7151.8121.9-68.60000122
516E30Very low28.5Very low159 Ų159136 Ų13674%0.74377%0.774SS**  cis-164.5-179-29.858.1-155.5105.400110
517D29.8Very low28.6Very low161 Ų161133.8 Ų133.886%0.86176%0.764SS**  trans63.2124.6176.2-71.6-30.9000119.5
518G28.7Very low29.5Very low68 Ų68136 Ų13670%0.70177%0.771SS**  cis148.2129.7-14.200000115
519Q28Very low29.8Very low187 Ų187136 Ų13687%0.87477%0.773SS**  trans-164102.4152.3-118.9173.55.200114.8
520T30.5Very low30.8Very low126 Ų126133.2 Ų133.277%0.77377%0.769SS**  trans40.9123.5142.659.90000122.5
521I30.2Very low31.2Very low175 Ų175138.4 Ų138.490%0.89778%0.779SS**  trans-153.2164.8132.1-102.6153.4000108.2
522I30.4Very low31.5Very low159 Ų159136.8 Ų136.882%0.81578%0.779SS**  trans-107.3144.9-161.6-62.2165.3000112.4
523E26.2Very low31.7Very low176 Ų176135.8 Ų135.882%0.82278%0.775SS**  trans-115.5146175.6178.3175.7-154.400111.2
524I30.2Very low32Very low161 Ų161138.9 Ų138.983%0.82679%0.785SS**  trans-144.9123.3167.5-59.3-178.5000108.6
525D33.1Very low32.3Very low117 Ų117139.4 Ų139.463%0.62679%0.788SS**  trans-101.4159.5171.1178.655.7000111A527D525-A527 PolarHBondContact OD2-N 3.34Å
526P34.3Very low32.4Very low121 Ų121144.2 Ų144.279%0.78680%0.8SS**  -145.4124.9119.634.7-18000116.6
527A30.6Very low32.3Very low75 Ų75140 Ų14062%0.6280%0.8SS**  trans-63.7-172155.100000112.9D525D525-A527 PolarHBondContact OD2-N 3.34Å
528P47.6Very low32.2Very low125 Ų125141.9 Ų141.981%0.81280%0.8SS**  cis-140-179.15.544.3-25.7000117.6
529D31.1Very low32.3Very low151 Ų151143.5 Ų143.581%0.80781%0.807SS**  trans-105.4143.7165.7-164.932000109.2
530P48.9Very low32.3Very low116 Ų116140.1 Ų140.175%0.75380%0.799SS**  trans-97.1126.5-176.434.2-30.2000114.5
531E33.6Very low32.3Very low195 Ų195141.1 Ų141.191%0.91180%0.798SS**  trans-73.8155.9175.3-58.4-179.5123.200114.2
532A32.1Very low32.2Very low96 Ų96139.9 Ų139.979%0.79379%0.793SS**  trans-157.797.2155.300000113.1
533E30.5Very low32.2Very low182 Ų182140.6 Ų140.685%0.8579%0.792SS**  trans40.5126.3146.5-60-177141.200123
534D31.2Very low32.5Very low150 Ų150139 Ų13980%0.80280%0.795SS**  trans43.5129.6134.9-66-0.6000123.1
535T32.6Very low32.5Very low137 Ų137139.4 Ų139.484%0.8479%0.794SS**  -174.3152.197.8-65.20000111.1
536E30.3Very low32.2Very low191 Ų191140.1 Ų140.189%0.89380%0.796SS**  trans-62.9154.7173.8-55.8175.194.100114.4
537G27.7Very low32Very low72 Ų72144.3 Ų144.374%0.74280%0.797SS**  trans148.1122.2137.800000119.7
538K28.6Very low32Very low199 Ų199145.5 Ų145.587%0.86580%0.797SS**  trans56.1110.8152.2-68-179.1175.9176.40119.4
539A29.9Very low31.2Very low102 Ų102147.6 Ų147.684%0.84380%0.795SS**  trans-64.4142.8143.200000110.8
540V27.9Very low31.2Very low116 Ų116147.6 Ų147.670%0.70379%0.79SS**  trans-132.9113.3163.9176.50000108.1
541I31.8Very low30.3Very low148 Ų148150.3 Ų150.376%0.75979%0.791SS**  trans-77.4135.7165.2-59.8163.6000107.1
542L28.6Very low30.2Very low148 Ų148147.5 Ų147.578%0.77579%0.786SS**  trans-151.7104.4158.8-112.6168.9000110.5
543E30.3Very low30Very low174 Ų174149.1 Ų149.181%0.81379%0.786SS**  trans-75.5142.6164-58.4163.6131.600108.9
544T31Very low29.9Very low143 Ų143144.8 Ų144.888%0.87778%0.781SS**  trans-148.6133.1156.82.50000110.4
545E29.9Very low29.8Very low170 Ų170146.7 Ų146.779%0.79479%0.785SS**  trans-127.8154.5-168.9-154.9-174.5124.900111.8
546L28.6Very low29.7Very low131 Ų131149 Ų14969%0.68679%0.789SS**  trans61.8113.9154.8-94.7170.6000121.6
547R29.1Very low29.7Very low210 Ų210149.1 Ų149.179%0.79279%0.789SS**  170.7122.6114.9-91.4175175.8-110.3-3.1110
548T30.2Very low29.8Very low100 Ų100153.2 Ų153.261%0.61379%0.789SS**  53.7133.788.271.50000113.1
549E31.7Very low29.9Very low168 Ų168150.7 Ų150.779%0.78578%0.78SS**  cis-155143.144.3-70.5155.8-178.500114.5
550E30.9Very low29.8Very low151 Ų151153 Ų15371%0.70677%0.773SS**  trans45.6132.2132.4-136.4-163.312300127.2
551K29.3Very low30Very low174 Ų174154 Ų15476%0.75777%0.77SS**  trans63.4159158.7-85.9-171.7-173.3930117.5
552V31.4Very low30Very low135 Ų135154.8 Ų154.882%0.81877%0.771SS**  cis-130.5164.523.5173.60000111.9
553V29.2Very low30.4Very low131 Ų131153.8 Ų153.879%0.79477%0.77SS**  trans-115.9147.5-178.1165.50000112.2
554A28.2Very low30.5Very low90 Ų90153.2 Ų153.274%0.74477%0.767SS**  trans64127.1163.900000120
555E27.8Very low30.8Very low191 Ų191153.3 Ų153.389%0.89376%0.762SS**  -171.4179.1112.4-104.2-174.7155.600110.4
556M30.8Very low31.1Very low185 Ų185150.7 Ų150.791%0.91176%0.758SS**  trans70.365.8174.1-62.117958.700118.2
557E31.3Very low31.3Very low193 Ų193152.2 Ų152.290%0.90276%0.762SS**  -89.5163.2124.7-171.8165.1-168.100108.6
558E29.8Very low31.8Very low159 Ų159149.3 Ų149.374%0.74376%0.76SS**  trans65.198.3176-151.7-173-137.700117.3
559H30.3Very low32.3Very low146 Ų146150.7 Ų150.768%0.67677%0.768SS**  166.493.5122.5-89.681.4000108.6
560Q28.8Very low32.8Very low149 Ų149148.3 Ų148.370%0.69677%0.765SS**  94.6134.574.5-171.4-171.969.700113.1
561H31.5Very low33.3Very low137 Ų137149 Ų14963%0.63477%0.772SS**  trans75.6117.7166.2-75.2-38.7000122.2
562Q30.5Very low33.7Very low165 Ų165149.2 Ų149.277%0.77178%0.776SS**  trans72148.7137.1-58.5174.343.500117.2
563V36.8Very low34.3Very low127 Ų127154.5 Ų154.577%0.7780%0.8SS**  cis-135153.313.6-90.40000113.8
564H32.8Very low34.5Very low163 Ų163155.7 Ų155.776%0.75580%0.8SS**  trans-8.2133.4144.1-101.352.7000119.8
565N38.3Very low34.9Very low144 Ų144159.1 Ų159.177%0.7780%0.803SS**  158.3109.9123.6-79-22.5000109.3
566V34.8Very low35.3Very low115 Ų115157.3 Ų157.370%0.69780%0.798SS**  95.9119.567161.70000112.3
567E32.9Very low35.5Very low164 Ų164155.7 Ų155.777%0.76679%0.791SS**  trans60.1101.2157.8-136.4155.7-164.300117.9
568I41.4Very low35.8Very low148 Ų148153.4 Ų153.476%0.75978%0.784SS**  54.8105.481.1-53.3168.3000113.9
569V39.3Very low36.2Very low129 Ų129153 Ų15378%0.78279%0.787SS**  trans-140.2131.9144.4177.70000108L571V569-L571 HydrophobicContact CG1-CG 4.37Å
570V43.2Very low36.6Very low119 Ų119153.5 Ų153.572%0.72180%0.795SS**  trans-91136.3166.3173.80000108.2
571L40Very low37.2Very low164 Ų164153.8 Ų153.886%0.85980%0.803SS**  trans-132.2135.8160.2-78.6174.2000109.3V569V569-L571 HydrophobicContact CG1-CG 4.37Å
572E38.3Very low37.7Very low180 Ų180155.3 Ų155.384%0.84182%0.817SS**  trans-92.7148.7174-59.7165.1114.200109.5
573D44Very low38.4Very low245 Ų245154.4 Ų154.4100%1.3182%0.821SS**  trans-157.50147.7-103.3-30.4000107.8

Retrieved 573 of 573 residues in 182.3 ms (Link to these results)