==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTITUMOR PROTEIN 12-OCT-04 1XQG . COMPND 2 MOLECULE: MASPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AL-AYYOUBI,P.G.GETTINS,K.VOLZ . 756 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 81 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 2 2 4 0 1 1 0 0 1 1 2 0 0 0 2 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 2 0 0 0 0 0 2 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 0 2 0 3 3 6 0 1 3 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 0 2 0 0 0 1 1 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 -2 A Q 0 0 121 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.9 87.2 140.3 70.7 2 -1 A G > + 0 0 51 2,-0.1 4,-0.9 3,-0.1 5,-0.1 0.607 360.0 52.5-113.8 -28.3 90.3 142.6 70.4 3 0 A S T 4 S+ 0 0 39 2,-0.2 4,-0.3 1,-0.1 69,-0.1 0.686 118.3 41.2 -79.2 -20.8 92.5 140.8 72.8 4 1 A M T >> S+ 0 0 41 2,-0.2 4,-1.8 1,-0.1 3,-1.2 0.840 106.6 62.0 -88.9 -44.6 91.7 137.7 70.8 5 2 A D H 3> S+ 0 0 83 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.750 98.1 57.2 -53.8 -29.6 91.9 139.4 67.5 6 3 A A H 3X S+ 0 0 30 -4,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.834 106.2 52.8 -71.2 -31.7 95.6 140.1 68.1 7 4 A L H <> S+ 0 0 3 -3,-1.2 4,-3.7 -4,-0.3 5,-0.3 0.920 103.7 52.0 -69.0 -48.9 96.0 136.4 68.5 8 5 A Q H X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.873 109.4 53.5 -58.6 -33.0 94.4 135.3 65.3 9 6 A L H X S+ 0 0 87 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.887 111.9 43.7 -67.9 -38.0 96.8 137.8 63.6 10 7 A A H X S+ 0 0 7 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.935 112.3 52.2 -70.4 -47.7 99.8 136.1 65.3 11 8 A N H X S+ 0 0 3 -4,-3.7 4,-1.3 1,-0.2 -2,-0.2 0.805 112.8 46.2 -58.1 -31.3 98.5 132.7 64.5 12 9 A S H X S+ 0 0 8 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.820 108.7 53.9 -81.3 -33.6 98.2 133.7 60.9 13 10 A A H X S+ 0 0 9 -4,-1.7 4,-2.3 1,-0.2 242,-0.2 0.958 112.7 44.7 -62.6 -48.8 101.6 135.3 60.7 14 11 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 47,-0.3 5,-0.3 0.849 107.7 59.3 -62.0 -38.6 103.1 132.0 62.0 15 12 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.942 109.7 41.9 -57.2 -50.3 101.0 129.9 59.6 16 13 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.945 111.9 56.0 -63.2 -47.3 102.5 131.7 56.6 17 14 A D H X S+ 0 0 48 -4,-2.3 4,-0.7 1,-0.3 -2,-0.2 0.884 113.6 39.8 -51.8 -44.7 106.0 131.6 58.1 18 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.3 0.775 112.2 57.3 -77.8 -26.4 105.7 127.8 58.5 19 16 A F H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.959 104.3 51.2 -67.1 -48.5 104.0 127.4 55.2 20 17 A K H X S+ 0 0 56 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.780 111.7 50.1 -57.7 -28.1 106.9 129.1 53.3 21 18 A Q H X S+ 0 0 34 -4,-0.7 4,-1.4 -5,-0.3 3,-0.5 0.941 109.4 47.9 -75.6 -51.3 109.2 126.7 55.1 22 19 A L H X S+ 0 0 14 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.612 108.8 57.6 -65.5 -13.6 107.3 123.5 54.2 23 20 A S H < S+ 0 0 3 -4,-1.2 -1,-0.2 2,-0.2 6,-0.2 0.841 102.6 50.5 -86.4 -35.9 107.1 124.7 50.6 24 21 A E H < S+ 0 0 135 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.1 0.843 107.7 55.4 -69.9 -32.1 110.9 125.0 50.2 25 22 A K H < S+ 0 0 132 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 123.7 25.3 -67.0 -37.0 111.3 121.5 51.5 26 23 A E S >< S+ 0 0 92 -4,-0.8 3,-1.4 1,-0.1 -1,-0.3 -0.630 75.9 172.2-127.8 69.8 108.9 120.2 48.9 27 24 A P T 3 S+ 0 0 77 0, 0.0 217,-0.3 0, 0.0 -1,-0.1 0.666 81.4 27.1 -53.6 -23.1 109.3 122.8 46.1 28 25 A L T 3 S+ 0 0 113 -3,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.171 109.4 77.9-129.7 19.2 107.1 120.8 43.7 29 26 A G S < S- 0 0 19 -3,-1.4 -3,-0.1 -6,-0.2 2,-0.1 -0.592 83.6 -76.2-119.9-177.1 104.8 118.7 45.8 30 27 A N - 0 0 21 -2,-0.2 2,-0.3 345,-0.1 345,-0.2 -0.359 39.6-158.0 -76.8 158.9 101.6 119.1 47.8 31 28 A V E +A 374 0A 6 343,-1.9 343,-1.6 -2,-0.1 2,-0.3 -0.987 17.3 161.0-138.5 147.0 101.5 120.8 51.2 32 29 A L E +A 373 0A 3 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.834 8.6 135.9-169.4 127.0 99.0 120.5 54.1 33 30 A F E -A 372 0A 0 339,-1.8 339,-1.8 -2,-0.3 3,-0.1 -0.979 48.5-109.7-163.8 169.6 99.0 121.3 57.8 34 31 A S > - 0 0 0 -2,-0.3 4,-2.3 337,-0.2 5,-0.3 -0.799 22.8-175.2-113.8 90.2 97.0 122.8 60.6 35 32 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.856 88.9 50.4 -49.0 -40.0 98.7 126.1 61.7 36 33 A I H > S+ 0 0 2 333,-0.8 4,-2.8 334,-0.3 5,-0.3 0.953 105.8 52.9 -66.6 -50.0 96.1 126.3 64.5 37 34 A A H > S+ 0 0 1 333,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.927 114.8 43.4 -50.9 -48.1 96.6 122.8 65.8 38 35 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.853 112.1 51.0 -67.8 -39.0 100.3 123.4 66.1 39 36 A S H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.889 109.2 51.5 -67.7 -39.5 100.1 126.9 67.6 40 37 A T H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.929 113.6 44.9 -62.3 -45.2 97.7 125.6 70.3 41 38 A S H >X S+ 0 0 2 -4,-1.8 4,-2.0 -5,-0.3 3,-1.1 0.975 116.5 43.0 -62.3 -58.7 100.1 122.8 71.2 42 39 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.3 -1,-0.2 0.714 110.1 61.6 -60.4 -18.9 103.2 124.9 71.2 43 40 A S H 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.806 103.8 47.4 -75.4 -32.4 101.1 127.5 73.1 44 41 A L H XX S+ 0 0 1 -4,-1.2 3,-2.1 -3,-1.1 4,-0.6 0.910 107.5 55.0 -74.1 -45.4 100.6 125.0 75.9 45 42 A A H >X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.3 3,-1.0 0.821 97.6 66.7 -58.0 -30.0 104.3 124.2 76.1 46 43 A Q H 3< S+ 0 0 47 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.661 93.2 59.2 -67.1 -15.6 104.9 127.9 76.5 47 44 A V H <4 S+ 0 0 43 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.724 110.7 40.8 -84.7 -21.9 103.2 127.8 79.9 48 45 A G H << S+ 0 0 0 -3,-1.0 262,-0.4 -4,-0.6 263,-0.3 0.660 104.5 85.3 -95.4 -18.7 105.7 125.2 81.1 49 46 A A < - 0 0 8 -4,-1.5 2,-0.3 258,-0.2 258,-0.3 -0.502 57.1-176.1 -85.3 152.7 108.6 127.0 79.4 50 47 A K >> - 0 0 122 256,-3.0 3,-0.8 -2,-0.2 4,-0.8 -0.893 42.8 -0.3-142.0 168.8 110.6 129.8 81.0 51 48 A G H 3> S- 0 0 38 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.214 125.6 -1.6 55.6-130.4 113.4 132.2 80.2 52 49 A D H 3> S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 134.1 54.7 -59.0 -48.1 115.0 131.9 76.7 53 50 A T H <> S+ 0 0 0 -3,-0.8 4,-1.3 251,-0.2 -1,-0.2 0.877 109.5 48.9 -54.9 -40.0 112.9 129.0 75.7 54 51 A A H X S+ 0 0 19 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.885 112.0 46.4 -68.9 -40.8 109.7 131.0 76.5 55 52 A N H X S+ 0 0 102 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.780 108.7 57.9 -72.5 -25.3 110.8 134.1 74.6 56 53 A E H X S+ 0 0 25 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.833 107.8 46.3 -71.6 -34.3 111.8 131.8 71.7 57 54 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 6,-0.4 0.872 112.2 49.3 -75.2 -40.8 108.3 130.5 71.5 58 55 A G H <>S+ 0 0 8 -4,-1.8 6,-1.4 2,-0.2 5,-0.7 0.823 112.0 50.7 -69.1 -29.5 106.7 133.9 71.7 59 56 A Q H <5S+ 0 0 136 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.935 116.7 37.1 -71.6 -49.8 109.0 135.1 69.0 60 57 A V H <5S+ 0 0 11 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.833 123.8 41.8 -72.1 -37.4 108.3 132.3 66.5 61 58 A L T <5S- 0 0 0 -4,-2.5 -47,-0.3 -5,-0.2 -1,-0.2 0.479 107.6-126.5 -89.3 -3.9 104.6 132.0 67.3 62 59 A H T > 5 + 0 0 45 -4,-0.4 3,-0.6 -5,-0.2 -3,-0.2 0.682 67.2 136.1 68.1 21.1 104.3 135.8 67.4 63 60 A F G > < + 0 0 14 -5,-0.7 3,-1.6 -6,-0.4 -4,-0.2 0.490 30.3 123.9 -75.5 0.2 102.7 135.8 70.9 64 61 A E G 3 S+ 0 0 125 -6,-1.4 -1,-0.2 1,-0.3 -5,-0.1 0.695 87.7 9.0 -27.5 -42.5 105.1 138.7 71.4 65 62 A N G < S+ 0 0 117 -3,-0.6 2,-0.4 -7,-0.1 -1,-0.3 -0.375 91.6 116.7-148.3 65.5 102.2 141.0 72.3 66 63 A V < - 0 0 14 -3,-1.6 3,-0.4 -59,-0.0 2,-0.1 -0.891 51.3-147.1-134.0 99.6 98.9 139.1 72.7 67 64 A K S S+ 0 0 156 -2,-0.4 -60,-0.1 1,-0.2 -61,-0.1 -0.385 77.2 16.8 -69.8 145.3 97.6 139.3 76.3 68 65 A D S > S+ 0 0 112 -2,-0.1 4,-1.8 3,-0.1 -1,-0.2 0.940 71.3 168.8 60.0 52.7 95.6 136.3 77.6 69 66 A V H > S+ 0 0 11 -3,-0.4 4,-1.9 1,-0.2 5,-0.3 0.946 70.3 54.8 -61.0 -51.3 96.9 133.8 75.0 70 67 A P H > S+ 0 0 42 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.835 109.2 49.2 -53.8 -33.7 95.6 130.6 76.8 71 68 A F H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.897 106.4 54.9 -73.2 -39.7 92.1 132.1 76.9 72 69 A G H X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.853 112.7 43.6 -59.7 -34.5 92.1 133.1 73.2 73 70 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.750 104.8 64.2 -80.4 -25.6 93.0 129.4 72.5 74 71 A Q H X S+ 0 0 41 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.2 0.885 107.3 43.7 -63.2 -37.1 90.3 128.4 75.0 75 72 A T H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.956 111.2 49.3 -72.3 -56.9 87.7 130.0 72.7 76 73 A V H X S+ 0 0 1 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.939 113.8 49.4 -49.4 -51.1 89.0 128.8 69.3 77 74 A T H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.3 5,-0.3 0.918 109.5 48.7 -55.7 -50.0 89.1 125.3 70.7 78 75 A S H X S+ 0 0 63 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.834 114.8 48.9 -61.7 -31.4 85.6 125.4 72.2 79 76 A D H X S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.972 112.9 44.0 -70.7 -55.5 84.4 126.7 68.8 80 77 A V H X S+ 0 0 5 -4,-3.2 4,-1.2 2,-0.2 -2,-0.2 0.839 116.7 47.8 -57.7 -38.3 86.2 124.0 66.7 81 78 A N H >< S+ 0 0 77 -4,-2.9 3,-1.1 -5,-0.3 4,-0.5 0.971 110.2 49.6 -68.4 -53.2 85.1 121.3 69.0 82 79 A K H >< S+ 0 0 131 -4,-2.0 3,-0.6 1,-0.3 -2,-0.2 0.832 113.8 50.6 -52.4 -30.9 81.5 122.5 69.1 83 80 A L H >X S+ 0 0 5 -4,-1.9 4,-3.1 1,-0.2 3,-1.4 0.756 94.0 71.2 -78.4 -28.1 81.8 122.5 65.3 84 81 A S T << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.551 95.9 53.8 -68.2 -8.1 83.2 118.9 65.2 85 82 A S T <4 S+ 0 0 106 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.521 116.0 37.8-101.0 -12.4 79.8 117.6 66.0 86 83 A F T <4 S+ 0 0 94 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.816 118.4 47.9 -99.4 -55.4 78.1 119.5 63.2 87 84 A Y S < S- 0 0 14 -4,-3.1 2,-1.0 1,-0.1 85,-0.1 -0.387 91.3-111.9 -83.2 163.7 80.8 119.2 60.5 88 85 A S S S+ 0 0 63 83,-0.5 83,-1.6 -2,-0.1 2,-0.3 -0.313 83.1 120.3 -89.5 50.1 82.6 116.0 59.5 89 86 A L E +I 170 0B 1 -2,-1.0 2,-0.3 -6,-0.3 81,-0.2 -0.805 39.1 177.7-117.6 156.7 85.7 117.6 61.1 90 87 A K E -I 169 0B 46 79,-1.8 79,-2.4 -2,-0.3 2,-0.4 -0.889 7.0-174.6-161.7 125.8 88.0 116.7 64.0 91 88 A L E -I 168 0B 9 -2,-0.3 2,-0.6 77,-0.2 77,-0.3 -0.805 10.9-171.5-128.2 90.4 91.1 118.4 65.2 92 89 A I E +I 167 0B 14 75,-2.8 75,-2.6 -2,-0.4 2,-0.4 -0.737 4.9 179.7 -91.0 119.1 92.9 116.5 68.0 93 90 A K E +I 166 0B 5 -2,-0.6 2,-0.3 73,-0.2 73,-0.2 -0.875 8.3 168.4-110.8 146.6 95.8 118.3 69.8 94 91 A R E -I 165 0B 23 71,-1.1 71,-2.7 -2,-0.4 2,-0.7 -0.865 25.2-162.3-165.9 124.3 97.7 116.5 72.5 95 92 A L E -Ij 164 119B 1 23,-1.6 25,-2.0 -2,-0.3 2,-0.6 -0.934 19.1-160.2-110.0 105.4 100.9 117.1 74.5 96 93 A Y E -Ij 163 120B 0 67,-3.1 67,-1.9 -2,-0.7 2,-0.4 -0.795 8.4-168.6 -91.9 118.6 102.0 113.8 76.1 97 94 A V E -Ij 162 121B 0 23,-2.7 25,-2.6 -2,-0.6 2,-0.3 -0.848 23.3-115.0-108.9 143.0 104.4 114.3 79.0 98 95 A D E > - 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