==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/INHIBITOR 24-AUG-12 4GRG . COMPND 2 MOLECULE: ANTI-IGE INHIBITOR E2_79; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.KIM,T.S.JARDETZKY . 675 4 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 52 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 6 8 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 2 12 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 12 A S > 0 0 167 0, 0.0 4,-0.6 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -50.5 -1.1 0.9 -37.5 2 13 A D H >> + 0 0 115 2,-0.2 4,-1.0 1,-0.1 3,-0.8 0.929 360.0 58.4 -79.1 -50.4 1.2 3.2 -35.5 3 14 A L H 3> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.872 101.0 57.5 -49.4 -46.8 -0.6 6.6 -35.7 4 15 A G H 3> S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 95.8 63.1 -54.9 -40.8 -3.7 5.2 -34.0 5 16 A K H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 3,-0.8 0.888 96.3 49.4 -49.2 -62.4 -4.5 8.8 -30.8 8 19 A L H 3X S+ 0 0 29 -4,-1.7 4,-1.9 1,-0.3 5,-0.4 0.867 100.9 65.4 -52.4 -42.4 -6.6 7.0 -28.2 9 20 A E H >X S+ 0 0 98 -4,-1.0 4,-2.6 -3,-0.3 3,-0.9 0.931 109.2 39.5 -42.7 -54.4 -4.3 8.1 -25.4 10 21 A A H S+ 0 0 8 -4,-1.1 4,-4.7 -3,-0.8 5,-1.1 0.775 104.2 69.6 -68.7 -27.4 -5.4 11.7 -26.2 11 22 A A H 3<5S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.855 113.2 30.1 -58.5 -34.4 -8.9 10.4 -26.8 12 23 A R H <<5S+ 0 0 36 -4,-1.9 -2,-0.2 -3,-0.9 -1,-0.2 0.791 119.8 55.5 -89.0 -37.6 -9.1 9.8 -23.0 13 24 A A H <5S- 0 0 40 -4,-2.6 -2,-0.2 -5,-0.4 -3,-0.2 0.936 103.2-130.8 -59.3 -48.8 -6.6 12.6 -22.2 14 25 A G T <5 + 0 0 19 -4,-4.7 2,-2.0 1,-0.2 3,-0.2 0.691 44.7 162.3 98.6 26.4 -8.8 15.2 -24.1 15 26 A Q >< + 0 0 37 -5,-1.1 4,-3.9 1,-0.2 -1,-0.2 -0.583 7.8 171.9 -75.7 81.4 -6.0 16.7 -26.1 16 27 A D H > S+ 0 0 50 -2,-2.0 4,-3.8 2,-0.2 5,-0.5 0.926 73.8 56.3 -59.4 -51.5 -8.5 18.3 -28.6 17 28 A D H > S+ 0 0 153 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.951 116.8 39.2 -43.8 -55.1 -5.8 20.3 -30.4 18 29 A E H >4 S+ 0 0 107 2,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.985 114.5 52.2 -55.5 -63.5 -4.2 16.9 -31.0 19 30 A V H >X S+ 0 0 6 -4,-3.9 4,-1.2 1,-0.3 3,-0.9 0.825 114.2 42.4 -47.1 -43.5 -7.4 15.0 -31.6 20 31 A R H 3< S+ 0 0 57 -4,-3.8 -1,-0.3 1,-0.2 -2,-0.2 0.792 116.1 52.5 -71.5 -26.9 -8.5 17.5 -34.2 21 32 A I T << S+ 0 0 46 -4,-1.5 -2,-0.2 -3,-1.1 -1,-0.2 0.151 105.0 56.6 -94.7 16.3 -4.9 17.4 -35.5 22 33 A L T X4 S+ 0 0 32 -3,-0.9 3,-1.2 -4,-0.2 -2,-0.2 0.743 102.9 46.5-115.5 -44.0 -4.8 13.6 -35.8 23 34 A T T 3< S+ 0 0 36 -4,-1.2 3,-0.4 3,-0.2 -2,-0.1 0.613 101.6 74.8 -64.8 -14.0 -7.7 12.8 -38.1 24 35 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.708 99.1 41.8 -69.7 -24.4 -6.0 15.7 -40.0 25 36 A N S < S- 0 0 140 -3,-1.2 -1,-0.3 -22,-0.0 -2,-0.2 0.404 136.1 -94.6 -96.0 -1.0 -3.4 13.1 -40.9 26 37 A G - 0 0 60 -3,-0.4 -3,-0.2 -4,-0.1 2,-0.2 0.931 53.7-163.4 81.8 75.5 -6.2 10.6 -41.4 27 38 A A - 0 0 21 -24,-0.1 2,-1.7 1,-0.1 -4,-0.1 -0.495 31.5-102.6 -85.9 159.2 -6.5 8.8 -38.1 28 39 A D - 0 0 112 1,-0.2 3,-0.4 -2,-0.2 -1,-0.1 -0.605 33.8-168.8 -83.7 82.8 -8.3 5.5 -37.7 29 40 A V S S+ 0 0 30 -2,-1.7 11,-0.3 1,-0.3 32,-0.2 0.605 86.0 56.8 -51.0 -11.6 -11.4 6.9 -36.1 30 41 A N S S+ 0 0 69 30,-0.1 -1,-0.3 8,-0.1 2,-0.2 -0.555 78.4 144.8-119.3 64.2 -12.2 3.3 -35.4 31 42 A A - 0 0 11 -3,-0.4 2,-0.4 -2,-0.2 -4,-0.0 -0.549 37.3-140.3 -88.6 165.0 -9.1 2.4 -33.5 32 43 A N - 0 0 100 -2,-0.2 2,-0.6 6,-0.1 6,-0.2 -0.984 2.0-141.0-130.9 147.7 -9.2 -0.0 -30.6 33 44 A D - 0 0 27 2,-0.9 4,-0.3 4,-0.7 5,-0.0 -0.628 57.3 -80.5-116.4 81.7 -7.4 -0.1 -27.2 34 45 A Y S S+ 0 0 117 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.501 136.3 57.9 54.0 -4.3 -6.2 -3.5 -26.0 35 46 A W S S- 0 0 40 2,-0.1 2,-6.3 33,-0.0 -2,-0.9 -0.780 120.2-101.3-161.4 104.0 -9.9 -3.6 -25.1 36 47 A G S S+ 0 0 1 -2,-0.2 29,-0.3 -4,-0.2 2,-0.2 0.252 74.2 142.1 -39.0 10.0 -11.8 -3.1 -28.2 37 48 A H - 0 0 10 -2,-6.3 -4,-0.7 -4,-0.3 -2,-0.1 -0.316 42.4-148.9 -61.5 123.3 -12.6 0.5 -27.5 38 49 A T >> - 0 0 1 -6,-0.2 3,-3.1 -2,-0.2 4,-1.0 -0.550 41.4-102.2 -69.7 148.5 -12.7 3.3 -29.9 39 50 A P H 3> S+ 0 0 0 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.833 122.5 74.3 -28.2 -42.3 -11.8 6.7 -28.5 40 51 A L H 3> S+ 0 0 11 -11,-0.3 4,-2.0 1,-0.2 5,-0.1 0.802 93.2 50.4 -53.2 -34.5 -15.5 7.1 -28.6 41 52 A H H <> S+ 0 0 0 -3,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.987 115.4 42.1 -59.8 -59.6 -15.7 4.8 -25.6 42 53 A L H X S+ 0 0 12 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.852 115.3 48.5 -64.1 -42.1 -13.1 6.8 -23.7 43 54 A A H <>S+ 0 0 0 -4,-3.8 5,-0.8 1,-0.2 -1,-0.2 0.996 106.7 59.8 -53.0 -61.0 -14.4 10.2 -24.7 44 55 A A H <5S+ 0 0 6 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.756 106.3 45.2 -40.1 -47.2 -18.0 9.1 -23.7 45 56 A M H <5S+ 0 0 21 -4,-1.5 -1,-0.2 2,-0.1 2,-0.2 0.961 108.9 53.7 -70.8 -56.1 -17.1 8.4 -20.1 46 57 A L T <5S- 0 0 63 -4,-1.4 2,-3.4 -3,-0.2 35,-0.0 -0.553 102.6-100.3 -79.9 149.2 -15.1 11.4 -19.2 47 58 A G T 5S+ 0 0 51 -2,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.260 77.2 130.7 -65.5 56.0 -16.6 14.8 -19.8 48 59 A H >>< + 0 0 32 -2,-3.4 3,-2.0 -5,-0.8 4,-1.2 -0.309 11.9 143.5-104.7 46.6 -14.7 15.3 -23.0 49 60 A L T 34 + 0 0 59 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.567 63.5 76.5 -57.4 -7.3 -17.9 16.3 -24.8 50 61 A E T 34 S+ 0 0 92 -3,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.901 111.7 19.8 -65.7 -43.0 -15.3 18.6 -26.4 51 62 A I T <> S+ 0 0 1 -3,-2.0 4,-0.9 2,-0.1 -2,-0.2 0.396 99.6 89.7-108.2 -4.0 -14.1 15.7 -28.4 52 63 A V H X S+ 0 0 8 -4,-1.2 4,-1.0 1,-0.2 -3,-0.1 0.849 100.0 39.0 -68.5 -32.9 -17.0 13.2 -28.2 53 64 A E H > S+ 0 0 94 -4,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.905 100.9 71.7 -82.0 -44.4 -18.5 14.9 -31.4 54 65 A V H > S+ 0 0 32 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.762 102.4 47.8 -36.4 -32.0 -15.1 15.3 -33.1 55 66 A L H <>S+ 0 0 10 -4,-0.9 5,-1.8 2,-0.2 4,-0.4 0.977 109.4 46.9 -75.7 -64.9 -15.2 11.6 -33.6 56 67 A L H ><5S+ 0 0 39 -4,-1.0 3,-0.7 3,-0.3 -2,-0.2 0.792 110.4 60.5 -45.5 -31.9 -18.7 11.2 -34.9 57 68 A K H 3<5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 1.000 106.7 40.6 -56.0 -70.2 -17.6 14.0 -37.1 58 69 A N T 3<5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -29,-0.2 0.243 134.1 -92.5 -72.9 15.6 -14.8 12.1 -38.7 59 70 A G T < 5 + 0 0 54 -3,-0.7 -3,-0.3 -4,-0.4 3,-0.2 0.361 59.7 173.2 103.3 1.6 -17.2 9.1 -38.8 60 71 A A < - 0 0 5 -5,-1.8 2,-0.3 1,-0.2 -1,-0.2 -0.005 46.6 -94.0 -46.9 144.8 -16.6 7.1 -35.6 61 72 A D > - 0 0 72 -32,-0.2 3,-0.7 1,-0.2 -1,-0.2 -0.470 22.2-142.8 -72.6 123.7 -19.1 4.3 -35.1 62 73 A V T 3 S+ 0 0 31 -2,-0.3 11,-0.3 1,-0.3 32,-0.2 0.569 101.7 27.8 -60.9 -9.5 -22.2 5.4 -33.0 63 74 A N T 3 S- 0 0 37 30,-0.1 -1,-0.3 9,-0.1 8,-0.1 -0.524 83.6-179.4-152.6 80.2 -22.0 1.9 -31.5 64 75 A A < - 0 0 4 -3,-0.7 2,-0.8 1,-0.1 -27,-0.1 -0.161 35.8-101.2 -71.1 170.7 -18.5 0.4 -31.6 65 76 A T - 0 0 98 -29,-0.3 6,-0.2 6,-0.1 2,-0.1 -0.766 30.9-163.7-104.8 91.1 -17.7 -3.1 -30.3 66 77 A G > - 0 0 0 -2,-0.8 3,-2.4 4,-0.4 -30,-0.1 -0.478 30.4-122.0 -63.1 138.6 -16.1 -3.1 -26.8 67 78 A N T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.449 117.7 55.0 -77.7 5.6 -14.5 -6.4 -26.3 68 79 A T T 3 S- 0 0 22 2,-0.1 32,-0.9 -33,-0.0 -1,-0.3 -0.178 131.5-100.4-112.3 33.8 -16.6 -6.8 -23.3 69 80 A G S < S+ 0 0 14 -3,-2.4 2,-0.6 30,-0.2 -2,-0.2 0.456 78.7 143.7 74.0 5.1 -19.5 -6.2 -25.7 70 81 A R - 0 0 33 -5,-0.1 -4,-0.4 441,-0.1 -1,-0.2 -0.682 35.3-161.3 -98.1 116.1 -19.8 -2.6 -24.5 71 82 A T >> - 0 0 13 -2,-0.6 3,-4.6 -6,-0.2 4,-0.8 -0.687 39.1-102.9 -89.4 144.2 -20.7 0.2 -27.0 72 83 A P H 3> S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.696 119.9 69.1 -40.2 -32.8 -19.8 3.8 -26.0 73 84 A L H 3> S+ 0 0 4 -11,-0.3 4,-1.9 1,-0.2 5,-0.1 0.810 104.2 45.0 -58.8 -28.5 -23.5 4.4 -25.2 74 85 A H H <> S+ 0 0 7 -3,-4.6 4,-2.8 2,-0.2 -1,-0.2 0.933 110.6 52.0 -68.6 -51.4 -22.8 2.0 -22.3 75 86 A L H < S+ 0 0 5 -4,-0.8 4,-0.4 1,-0.2 -2,-0.2 0.578 112.6 47.1 -71.0 -9.6 -19.5 3.8 -21.6 76 87 A A H ><>S+ 0 0 3 -4,-1.8 3,-1.3 -5,-0.3 5,-0.6 0.876 109.2 51.4 -82.7 -59.2 -21.5 7.0 -21.5 77 88 A A H 3<5S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.800 98.1 70.0 -49.4 -35.0 -24.3 5.6 -19.2 78 89 A W T 3<5S+ 0 0 35 -4,-2.8 -1,-0.3 432,-0.1 2,-0.3 0.952 100.1 53.1 -41.6 -60.3 -21.6 4.5 -16.9 79 90 A A T < 5S- 0 0 19 -3,-1.3 2,-2.6 -4,-0.4 6,-0.2 -0.566 84.2-126.2 -93.1 136.7 -20.9 8.1 -16.0 80 91 A D T 5S+ 0 0 33 -2,-0.3 2,-1.1 1,-0.1 3,-0.2 -0.051 73.2 132.1 -64.8 32.5 -23.3 10.8 -14.8 81 92 A H >< + 0 0 18 -2,-2.6 4,-0.6 -5,-0.6 -2,-0.1 -0.901 33.6 164.0 -87.1 93.9 -21.6 12.4 -17.8 82 93 A L H > + 0 0 62 -2,-1.1 4,-1.6 2,-0.2 3,-0.3 0.868 54.8 52.7-105.7 -53.1 -25.1 13.2 -18.7 83 94 A E H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.846 108.1 59.7 -57.9 -33.6 -25.2 15.9 -21.4 84 95 A I H > S+ 0 0 8 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.900 99.6 54.7 -57.8 -45.8 -22.8 13.5 -23.2 85 96 A V H >X S+ 0 0 3 -4,-0.6 3,-1.1 -3,-0.3 4,-0.6 0.934 97.7 65.8 -55.5 -48.5 -25.5 10.8 -23.1 86 97 A E H >< S+ 0 0 63 -4,-1.6 3,-1.2 1,-0.3 4,-0.4 0.846 98.6 50.5 -40.5 -52.3 -28.0 13.2 -24.8 87 98 A V H >X S+ 0 0 50 -4,-1.0 3,-1.9 -3,-0.4 4,-1.0 0.831 92.5 75.3 -61.3 -35.3 -26.1 13.4 -28.1 88 99 A L H << S+ 0 0 15 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.755 102.5 39.2 -53.1 -29.8 -25.7 9.6 -28.6 89 100 A L T << S+ 0 0 26 -3,-1.2 -1,-0.3 -4,-0.6 3,-0.2 0.457 93.0 83.9-106.5 -3.8 -29.3 9.3 -29.6 90 101 A K T <4 S+ 0 0 85 -3,-1.9 2,-0.4 -4,-0.4 -2,-0.2 0.942 114.3 19.7 -54.5 -56.3 -29.5 12.4 -31.6 91 102 A H S < S- 0 0 70 -4,-1.0 -1,-0.3 -29,-0.0 2,-0.2 -0.891 130.6 -86.7 -99.4 141.3 -28.0 10.3 -34.3 92 103 A G - 0 0 54 -2,-0.4 2,-0.4 -3,-0.2 -3,-0.3 -0.333 40.2-170.7 -71.8 122.8 -29.0 6.9 -33.0 93 104 A A - 0 0 7 -2,-0.2 -30,-0.1 -20,-0.0 2,-0.1 -0.806 51.6 -92.4 -92.1 151.6 -26.9 4.9 -30.6 94 105 A D - 0 0 97 -2,-0.4 3,-0.3 -32,-0.2 11,-0.1 -0.493 38.9-160.4 -68.7 137.0 -28.3 1.4 -30.3 95 106 A V S S+ 0 0 38 1,-0.2 11,-0.7 -2,-0.1 10,-0.6 0.718 86.2 38.1 -92.0 -27.3 -30.7 1.9 -27.3 96 107 A N S S+ 0 0 113 8,-0.1 2,-0.4 9,-0.1 -1,-0.2 -0.119 76.7 149.4-121.1 34.5 -30.8 -1.9 -26.6 97 108 A A - 0 0 14 -3,-0.3 2,-0.4 1,-0.1 8,-0.1 -0.571 37.4-139.5 -77.4 128.0 -27.3 -3.1 -27.3 98 109 A Q - 0 0 121 -2,-0.4 6,-0.2 6,-0.1 -2,-0.1 -0.688 4.8-146.8 -91.8 134.9 -26.3 -6.1 -25.1 99 110 A D - 0 0 3 4,-2.9 -30,-0.2 -2,-0.4 -1,-0.1 0.050 42.7 -92.5 -71.7-164.7 -22.9 -6.6 -23.5 100 111 A K S S+ 0 0 150 -32,-0.9 -31,-0.1 1,-0.1 -1,-0.1 0.571 126.0 56.9 -91.8 -8.7 -21.6 -10.2 -23.1 101 112 A F S S- 0 0 121 -33,-0.3 -1,-0.1 2,-0.1 -32,-0.1 0.837 126.4 -94.8 -82.1 -38.8 -23.2 -10.4 -19.7 102 113 A G S S+ 0 0 44 1,-0.2 2,-0.4 0, 0.0 -2,-0.1 0.591 81.0 132.8 118.6 45.5 -26.7 -9.6 -20.9 103 114 A K - 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