==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 25-APR-02 1LKE . COMPND 2 MOLECULE: DIGA16; . SOURCE 2 ORGANISM_SCIENTIFIC: PIERIS BRASSICAE; . AUTHOR I.P.KORNDOERFER,A.SKERRA . 157 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.5 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 . 64 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 1 0 0 0 0 0 1 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 . 1 1 1 3 0 0 0 3 1 0 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 0 0 0 0 0 0 0 0 1 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 5 A D 0 0 195 0, 0.0 2,-0.1 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 149.4 1.1 -40.4 52.7 2 6 A G - 0 0 26 111,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.329 360.0 -89.8 121.4 153.1 -0.4 -37.1 53.8 3 7 A A - 0 0 84 1,-0.2 113,-0.1 -2,-0.1 3,-0.1 -0.512 66.3 -68.4 -85.2 167.7 -1.8 -34.1 52.0 4 8 A a - 0 0 49 111,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.341 58.6-116.7 -55.9 130.8 0.5 -31.3 51.1 5 9 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.260 34.4 -95.6 -64.4 156.5 1.6 -29.5 54.2 6 10 A E - 0 0 169 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.658 44.4-145.1 -79.0 128.9 0.6 -25.9 54.6 7 11 A V - 0 0 43 -2,-0.4 -1,-0.0 -3,-0.1 91,-0.0 -0.746 11.0-151.7-101.1 142.6 3.4 -23.7 53.4 8 12 A K - 0 0 139 -2,-0.3 3,-0.1 88,-0.1 -2,-0.0 -0.806 22.3-163.2-109.9 86.3 4.4 -20.4 54.8 9 13 A P - 0 0 32 0, 0.0 89,-0.2 0, 0.0 69,-0.1 -0.132 32.8 -80.6 -65.4 168.5 6.0 -18.4 51.9 10 14 A V - 0 0 15 87,-1.5 87,-0.1 68,-0.2 3,-0.1 -0.151 25.2-151.8 -68.0 164.9 8.1 -15.4 52.5 11 15 A D S S+ 0 0 105 1,-0.1 66,-0.2 -3,-0.1 -1,-0.1 0.222 88.4 53.7-117.5 6.5 6.7 -12.0 53.3 12 16 A N + 0 0 57 65,-0.1 65,-0.2 63,-0.1 64,-0.1 0.047 66.6 155.4-135.0 25.0 9.5 -9.9 51.9 13 17 A F - 0 0 10 63,-3.0 2,-0.8 -3,-0.1 65,-0.1 -0.339 30.8-149.5 -68.3 133.4 10.2 -11.1 48.3 14 18 A D > - 0 0 54 1,-0.1 3,-1.8 -2,-0.1 4,-0.2 -0.846 9.6-169.9-110.2 104.3 11.8 -8.6 46.1 15 19 A W G > S+ 0 0 45 -2,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.649 79.2 74.7 -63.5 -19.5 10.8 -9.1 42.5 16 20 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.731 87.4 60.7 -72.1 -15.1 13.5 -6.6 41.3 17 21 A Q G < S+ 0 0 49 -3,-1.8 2,-2.3 1,-0.2 -1,-0.3 0.630 77.9 100.8 -83.8 -5.6 16.1 -9.3 41.9 18 22 A Y < + 0 0 9 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 -0.385 64.9 84.2 -83.5 66.4 14.3 -11.5 39.3 19 23 A H + 0 0 81 -2,-2.3 25,-0.2 25,-0.1 31,-0.0 -0.935 67.0 31.0-153.3 166.2 16.7 -10.8 36.4 20 24 A G E S-A 43 0A 19 23,-1.9 23,-2.3 -2,-0.3 2,-0.4 -0.166 95.5 -26.8 78.5-167.0 20.0 -12.1 35.2 21 25 A K E -A 42 0A 73 21,-0.2 2,-0.4 104,-0.1 21,-0.2 -0.700 52.7-176.4 -92.6 127.7 21.6 -15.6 35.4 22 26 A W E -A 41 0A 4 19,-2.6 19,-2.4 -2,-0.4 2,-0.4 -0.989 13.5-147.4-124.1 132.4 20.8 -18.0 38.2 23 27 A W E -AB 40 124A 33 101,-3.5 101,-2.3 -2,-0.4 2,-1.4 -0.802 16.2-129.8-100.5 137.4 22.4 -21.4 38.6 24 28 A Q E + B 0 123A 8 15,-2.6 15,-0.3 -2,-0.4 99,-0.2 -0.631 33.9 172.4 -87.5 89.5 20.5 -24.3 40.0 25 29 A V E + 0 0 5 -2,-1.4 130,-3.2 97,-0.7 2,-0.3 0.673 60.0 7.9 -74.6 -21.1 23.0 -25.4 42.8 26 30 A A E +CB 154 122A 0 96,-1.3 96,-3.1 128,-0.3 2,-0.3 -0.987 61.2 154.1-157.3 154.5 20.9 -28.1 44.5 27 31 A A E -CB 153 121A 0 126,-1.7 126,-2.4 -2,-0.3 94,-0.2 -0.969 48.1 -81.9-168.0 163.4 17.6 -29.9 44.2 28 32 A Y >> - 0 0 4 92,-2.0 4,-2.1 -2,-0.3 3,-0.8 -0.475 47.2-113.3 -67.0 149.6 15.9 -33.2 45.1 29 33 A P H 3> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.850 115.5 57.5 -53.8 -43.6 16.8 -36.1 42.8 30 34 A D H 3> S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.869 108.2 48.8 -59.2 -37.0 13.2 -36.4 41.3 31 35 A H H <> S+ 0 0 15 -3,-0.8 4,-3.1 2,-0.2 5,-0.5 0.927 110.0 50.7 -65.1 -44.5 13.5 -32.7 40.3 32 36 A I H X S+ 0 0 35 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.877 113.7 45.4 -61.0 -36.7 16.9 -33.4 38.7 33 37 A T H < S+ 0 0 83 -4,-2.2 26,-0.2 -5,-0.2 -1,-0.2 0.894 120.0 38.7 -74.6 -42.7 15.5 -36.4 36.7 34 38 A K H < S+ 0 0 98 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.898 131.8 24.5 -76.9 -39.7 12.4 -34.6 35.6 35 39 A Y H < S- 0 0 57 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.469 113.7-112.1-113.3 -2.8 13.8 -31.2 34.8 36 40 A G < - 0 0 1 -4,-1.0 3,-0.3 -5,-0.5 22,-0.2 0.046 19.2 -86.8 101.9 159.3 17.3 -32.1 34.2 37 41 A K E S+ D 0 57A 118 20,-2.5 20,-2.6 1,-0.2 118,-0.0 -0.493 98.2 38.1 -95.8 175.5 20.9 -31.7 35.5 38 42 A C E S+ 0 0 42 18,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.829 85.0 179.6 56.0 36.7 23.4 -28.9 34.9 39 43 A G E + 0 0 1 -3,-0.3 -15,-2.6 -15,-0.3 2,-0.3 -0.476 17.2 152.3 -82.0 134.0 20.5 -26.4 35.1 40 44 A W E -AD 23 55A 52 15,-1.7 15,-2.6 -17,-0.2 2,-0.3 -0.972 19.2-160.2-145.8 160.1 20.8 -22.7 34.8 41 45 A A E -AD 22 54A 6 -19,-2.4 -19,-2.6 -2,-0.3 2,-0.5 -0.994 12.8-142.3-144.6 148.9 18.4 -20.0 33.7 42 46 A E E -AD 21 53A 80 11,-2.6 11,-2.4 -2,-0.3 2,-0.5 -0.953 17.5-155.3-110.8 131.9 18.4 -16.4 32.4 43 47 A Y E -AD 20 52A 17 -23,-2.3 -23,-1.9 -2,-0.5 9,-0.2 -0.907 8.5-170.7-110.0 124.9 15.6 -14.1 33.6 44 48 A T E - D 0 51A 67 7,-2.8 7,-3.0 -2,-0.5 -25,-0.1 -0.944 20.0-132.2-122.7 115.1 14.7 -11.2 31.4 45 49 A P E + D 0 50A 78 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.390 25.4 178.1 -63.6 133.2 12.3 -8.5 32.7 46 50 A E E > - D 0 49A 102 3,-3.1 3,-1.8 1,-0.2 2,-0.2 -0.782 58.6 -68.8-139.2 90.0 9.6 -7.6 30.2 47 51 A G T 3 S- 0 0 83 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.451 116.3 -12.6 62.9-125.6 7.2 -5.1 31.6 48 52 A K T 3 S+ 0 0 178 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.706 131.4 64.8 -80.0 -20.6 5.3 -6.8 34.4 49 53 A S E < S-D 46 0A 15 -3,-1.8 -3,-3.1 21,-0.1 2,-0.4 -0.517 72.0-139.6 -98.5 166.4 6.4 -10.3 33.4 50 54 A V E -DE 45 69A 3 19,-2.0 19,-2.9 -5,-0.2 2,-0.4 -0.996 16.3-137.8-122.7 135.0 9.8 -11.9 33.5 51 55 A K E -DE 44 68A 70 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.5 -0.764 16.2-154.1 -92.0 139.3 10.8 -14.2 30.6 52 56 A V E -DE 43 67A 9 15,-3.0 15,-1.8 -2,-0.4 2,-0.5 -0.951 14.1-178.2-119.5 123.1 12.6 -17.3 31.6 53 57 A S E -DE 42 66A 39 -11,-2.4 -11,-2.6 -2,-0.5 2,-0.4 -0.979 17.3-173.0-117.9 122.8 15.1 -19.2 29.3 54 58 A R E -DE 41 65A 25 11,-2.4 11,-2.6 -2,-0.5 2,-0.4 -0.943 14.8-160.0-129.9 138.3 16.4 -22.3 30.9 55 59 A Y E +DE 40 64A 48 -15,-2.6 -15,-1.7 -2,-0.4 2,-0.3 -0.896 25.9 141.7-109.4 142.0 19.1 -24.8 29.9 56 60 A S E - E 0 63A 2 7,-1.8 7,-2.2 -2,-0.4 2,-0.6 -0.978 47.1-111.6-165.5 170.9 19.4 -28.4 31.3 57 61 A V E -DE 37 62A 23 -20,-2.6 -20,-2.5 -2,-0.3 2,-0.5 -0.933 33.3-172.3-113.7 112.9 20.3 -32.0 30.4 58 62 A I E > - E 0 61A 16 3,-2.7 3,-1.7 -2,-0.6 -25,-0.1 -0.954 69.6 -17.8-115.7 121.8 17.3 -34.2 30.5 59 63 A H T 3 S- 0 0 162 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.871 130.9 -51.3 47.7 41.1 17.7 -38.0 30.1 60 64 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.391 119.7 103.3 82.7 0.9 21.2 -37.3 28.6 61 65 A K E < -E 58 0A 124 -3,-1.7 -3,-2.7 2,-0.0 2,-0.2 -0.929 68.1-123.4-117.4 140.4 20.0 -34.7 26.0 62 66 A E E +E 57 0A 128 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.541 34.5 172.4 -81.2 143.8 20.4 -30.9 26.2 63 67 A Y E -E 56 0A 84 -7,-2.2 -7,-1.8 -2,-0.2 2,-0.4 -0.985 26.8-146.4-144.7 153.0 17.3 -28.7 25.9 64 68 A F E -E 55 0A 138 -2,-0.3 23,-0.3 -9,-0.2 2,-0.3 -0.961 22.2-168.3-110.7 138.4 16.4 -25.1 26.2 65 69 A S E -E 54 0A 10 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.3 -0.863 5.6-149.8-119.4 164.5 13.0 -24.4 27.6 66 70 A E E +EF 53 85A 108 19,-2.0 19,-2.7 -2,-0.3 2,-0.3 -0.962 21.6 155.7-133.7 150.1 11.1 -21.1 27.7 67 71 A G E -E 52 0A 9 -15,-1.8 -15,-3.0 -2,-0.3 2,-0.4 -0.964 32.9-123.9-161.4 170.2 8.5 -19.7 30.1 68 72 A T E -E 51 0A 44 -2,-0.3 15,-2.1 -17,-0.2 2,-0.4 -0.984 22.2-155.4-124.2 142.3 6.9 -16.5 31.5 69 73 A A E +EG 50 82A 0 -19,-2.9 -19,-2.0 -2,-0.4 13,-0.2 -0.942 15.3 170.3-119.6 138.9 6.8 -15.7 35.2 70 74 A Y E - G 0 81A 110 11,-1.9 11,-3.2 -2,-0.4 2,-0.2 -0.987 35.0-111.9-138.3 151.3 4.3 -13.4 37.1 71 75 A P E - G 0 80A 40 0, 0.0 2,-0.6 0, 0.0 9,-0.2 -0.528 25.8-135.2 -76.1 150.1 3.7 -12.8 40.8 72 76 A V - 0 0 55 7,-2.4 7,-0.3 2,-0.2 5,-0.1 -0.945 69.2 -32.8-107.6 121.6 0.4 -14.0 42.1 73 77 A G S S+ 0 0 70 -2,-0.6 2,-0.4 3,-0.1 3,-0.0 -0.390 130.0 11.3 69.4-144.2 -1.2 -11.3 44.3 74 78 A D S > S- 0 0 103 1,-0.2 3,-2.0 -2,-0.1 5,-0.3 -0.536 71.6-141.1 -69.6 119.7 1.2 -9.1 46.3 75 79 A S G > S+ 0 0 49 -2,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.768 95.9 70.9 -54.3 -28.0 4.8 -9.8 44.9 76 80 A K G 3 S+ 0 0 110 1,-0.2 -63,-3.0 -64,-0.1 -1,-0.3 0.753 86.6 68.2 -62.4 -23.1 6.2 -9.5 48.5 77 81 A I G < S- 0 0 61 -3,-2.0 -1,-0.2 -66,-0.2 20,-0.2 0.631 98.3-131.9 -79.8 -8.2 4.6 -12.9 49.3 78 82 A G < + 0 0 0 -3,-1.4 19,-2.9 1,-0.2 2,-0.6 0.891 57.5 139.4 63.5 34.9 6.8 -15.0 47.0 79 83 A K E - H 0 96A 69 -7,-0.3 -7,-2.4 -5,-0.3 2,-0.4 -0.979 34.3-174.1-107.6 118.1 3.9 -17.0 45.4 80 84 A I E -GH 71 95A 2 15,-2.6 15,-2.4 -2,-0.6 2,-0.4 -0.957 22.8-147.6-128.3 134.3 5.0 -17.1 41.7 81 85 A Y E +GH 70 94A 57 -11,-3.2 -11,-1.9 -2,-0.4 2,-0.4 -0.805 20.7 178.2 -96.2 136.5 3.4 -18.4 38.5 82 86 A H E -GH 69 93A 37 11,-2.3 11,-2.0 -2,-0.4 2,-0.3 -0.999 19.7-151.6-129.6 142.2 5.6 -19.9 35.8 83 87 A S E - H 0 92A 18 -15,-2.1 2,-0.3 -2,-0.4 9,-0.3 -0.734 16.7-159.0 -95.6 165.2 4.6 -21.3 32.5 84 88 A Y E - H 0 91A 43 7,-2.8 7,-2.4 -2,-0.3 2,-0.5 -0.904 10.1-177.4-152.7 105.6 7.1 -24.0 31.2 85 89 A T E +FH 66 90A 29 -19,-2.7 -19,-2.0 -2,-0.3 2,-0.3 -0.952 13.8 153.1-116.0 121.3 7.4 -24.9 27.5 86 90 A I E > + H 0 89A 30 3,-2.1 3,-1.8 -2,-0.5 -21,-0.1 -0.993 66.8 3.3-149.0 138.6 9.7 -27.6 26.3 87 91 A G T 3 S- 0 0 73 -23,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.871 129.1 -59.0 51.9 40.2 9.6 -29.9 23.3 88 92 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.580 114.1 110.8 69.9 11.6 6.4 -28.2 22.1 89 93 A V E < -H 86 0A 88 -3,-1.8 -3,-2.1 2,-0.0 2,-0.4 -0.970 52.7-154.7-117.9 129.9 4.4 -29.0 25.3 90 94 A T E +H 85 0A 86 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.880 14.7 174.9-104.8 137.5 3.4 -26.2 27.7 91 95 A Q E -H 84 0A 98 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.3 -0.900 7.6-167.3-126.6 163.5 2.7 -26.7 31.4 92 96 A E E +H 83 0A 140 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.990 14.5 146.3-147.8 159.4 2.0 -24.1 34.0 93 97 A G E -H 82 0A 30 -11,-2.0 -11,-2.3 -2,-0.3 2,-0.4 -0.988 39.1-104.4-176.1 174.9 1.8 -23.8 37.8 94 98 A V E +H 81 0A 58 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.943 32.4 179.3-118.4 133.7 2.3 -21.9 41.0 95 99 A F E -H 80 0A 15 -15,-2.4 -15,-2.6 -2,-0.4 2,-0.4 -0.838 20.1-125.6-126.5 171.7 5.2 -22.5 43.4 96 100 A N E -HI 79 109A 22 13,-2.4 13,-2.1 -2,-0.3 2,-0.6 -0.939 11.4-130.7-124.5 141.6 6.3 -20.8 46.6 97 101 A V E - 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