==== 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 1XQJ . COMPND 2 MOLECULE: MASPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AL-AYYOUBI,P.G.GETTINS,K.VOLZ . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 2 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 3 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 0 0 0 1 0 0 1 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 -2 A Q 0 0 113 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.6 5.6 14.2 41.7 2 -1 A G > + 0 0 63 1,-0.1 4,-0.7 3,-0.1 3,-0.4 0.982 360.0 21.1 -71.6 -62.0 2.7 16.6 41.3 3 0 A S H > S+ 0 0 21 1,-0.3 4,-1.2 2,-0.2 2,-0.6 0.740 114.0 74.9 -76.7 -23.9 4.5 19.8 42.3 4 1 A M H 4 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 -0.061 107.4 34.6 -78.1 34.6 7.7 17.9 41.4 5 2 A D H > S+ 0 0 77 -2,-0.6 4,-1.4 -3,-0.4 -1,-0.2 0.279 101.6 69.6-157.4 -28.3 6.6 18.5 37.9 6 3 A A H X S+ 0 0 34 -4,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.718 100.0 58.8 -70.1 -19.6 5.0 22.0 38.1 7 4 A L H X S+ 0 0 2 -4,-1.2 4,-3.4 2,-0.2 -1,-0.2 0.902 96.5 55.6 -75.0 -45.2 8.6 22.9 38.6 8 5 A Q H > S+ 0 0 8 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.900 108.3 51.2 -56.3 -39.1 9.9 21.6 35.3 9 6 A L H X S+ 0 0 89 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.939 110.3 48.1 -61.5 -48.5 7.2 23.7 33.7 10 7 A A H X S+ 0 0 6 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.935 114.9 46.1 -56.7 -49.5 8.5 26.7 35.6 11 8 A N H X S+ 0 0 4 -4,-3.4 4,-3.8 1,-0.2 -2,-0.2 0.951 113.0 47.7 -58.6 -53.9 12.1 25.9 34.7 12 9 A S H X S+ 0 0 11 -4,-3.5 4,-0.9 1,-0.2 -1,-0.2 0.756 110.9 54.8 -60.0 -24.7 11.3 25.3 31.0 13 10 A A H >X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.2 3,-0.5 0.955 113.8 38.7 -71.8 -52.4 9.3 28.6 31.1 14 11 A F H 3X S+ 0 0 0 -4,-2.6 4,-2.6 47,-0.3 5,-0.4 0.945 109.3 63.4 -59.7 -49.9 12.4 30.5 32.4 15 12 A A H 3X S+ 0 0 1 -4,-3.8 4,-1.0 1,-0.2 -1,-0.2 0.786 106.3 45.9 -44.9 -36.0 14.6 28.4 30.1 16 13 A V H XX S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.5 3,-0.6 0.982 109.6 50.0 -74.5 -60.5 12.8 29.9 27.2 17 14 A D H 3X S+ 0 0 48 -4,-1.8 4,-1.4 1,-0.3 -2,-0.2 0.850 113.1 47.3 -46.4 -44.3 12.8 33.6 28.2 18 15 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.878 106.6 59.8 -67.6 -35.0 16.5 33.6 29.0 19 16 A F H X S+ 0 0 33 -4,-1.4 4,-0.8 -5,-0.2 3,-0.6 0.920 111.2 42.0 -61.1 -45.2 17.6 37.3 25.6 22 19 A L H 3X S+ 0 0 17 -4,-2.0 4,-1.2 -3,-0.3 -1,-0.2 0.704 107.6 63.5 -74.2 -21.5 20.8 35.6 24.6 23 20 A S H 3< S+ 0 0 5 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.718 99.1 53.5 -74.7 -24.1 19.5 35.2 21.1 24 21 A E H << S+ 0 0 129 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.766 105.5 53.0 -81.4 -28.4 19.3 38.9 20.6 25 22 A K H < S+ 0 0 102 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.828 123.2 27.6 -75.4 -33.8 22.9 39.5 21.6 26 23 A E S >< S+ 0 0 107 -4,-1.2 3,-2.2 3,-0.1 -1,-0.3 -0.468 75.2 159.8-123.9 56.8 24.2 36.9 19.1 27 24 A P T 3 S+ 0 0 70 0, 0.0 217,-0.3 0, 0.0 -1,-0.1 0.750 83.8 30.3 -51.4 -29.5 21.4 37.2 16.5 28 25 A L T 3 S+ 0 0 118 -3,-0.1 2,-0.2 2,-0.1 -4,-0.1 0.154 116.5 73.3-116.7 16.3 23.6 35.7 13.8 29 26 A G S < S- 0 0 16 -3,-2.2 -3,-0.1 -6,-0.2 -4,-0.0 -0.749 86.6 -85.1-124.2 172.6 25.7 33.5 16.2 30 27 A N - 0 0 16 -2,-0.2 2,-0.3 347,-0.1 345,-0.2 -0.230 33.6-154.4 -73.4 165.1 25.3 30.3 18.2 31 28 A V E +A 374 0A 8 343,-2.0 343,-1.4 2,-0.0 2,-0.2 -0.988 17.3 166.1-140.3 143.0 23.7 30.1 21.6 32 29 A L E +A 373 0A 4 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.804 10.4 138.4-164.6 119.1 24.3 27.5 24.3 33 30 A F E -A 372 0A 0 339,-2.3 339,-3.0 -2,-0.2 3,-0.1 -0.984 47.7-118.9-156.4 160.0 23.5 27.4 28.0 34 31 A S >> - 0 0 0 -2,-0.3 4,-1.4 337,-0.2 3,-0.7 -0.797 23.5-174.3-106.3 89.6 22.2 25.0 30.7 35 32 A P H 3> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.820 82.6 59.7 -50.3 -36.3 18.9 26.7 32.0 36 33 A I H 3> S+ 0 0 5 333,-0.9 4,-2.5 1,-0.2 5,-0.2 0.899 101.8 49.2 -62.8 -45.3 18.7 24.0 34.6 37 34 A A H <> S+ 0 0 2 -3,-0.7 4,-1.6 333,-0.3 -1,-0.2 0.817 114.1 49.2 -66.0 -27.4 22.0 24.7 36.3 38 35 A L H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.892 109.1 49.4 -78.4 -40.5 20.9 28.4 36.4 39 36 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.945 111.7 50.4 -61.5 -47.3 17.5 27.7 37.8 40 37 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.892 110.9 47.9 -57.0 -46.8 19.1 25.5 40.5 41 38 A S H X S+ 0 0 3 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.911 115.4 43.2 -62.2 -48.4 21.7 28.2 41.5 42 39 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.706 109.6 61.1 -71.9 -18.7 19.2 31.0 41.7 43 40 A S H X S+ 0 0 1 -4,-1.5 4,-0.8 -5,-0.2 -2,-0.2 0.977 105.6 44.5 -68.2 -53.8 16.9 28.6 43.5 44 41 A L H >X S+ 0 0 3 -4,-2.4 4,-0.9 1,-0.2 3,-0.6 0.854 112.6 54.7 -55.3 -38.6 19.4 28.2 46.3 45 42 A A H >X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 3,-1.6 0.985 100.3 57.0 -59.6 -59.4 19.9 31.9 46.3 46 43 A Q H 3< S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 97.5 66.2 -47.1 -22.3 16.2 32.7 46.7 47 44 A V H << S+ 0 0 45 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.940 109.7 34.0 -67.4 -45.8 16.4 30.6 49.9 48 45 A G H << S+ 0 0 0 -3,-1.6 261,-0.3 -4,-0.9 -2,-0.2 0.835 106.1 83.3 -77.7 -34.6 18.7 33.1 51.6 49 46 A A < - 0 0 3 -4,-2.0 258,-0.3 260,-0.2 2,-0.2 -0.379 60.2-172.6 -72.7 149.4 17.2 36.2 50.0 50 47 A K >> + 0 0 122 256,-3.6 3,-1.0 -2,-0.1 4,-0.7 -0.780 43.1 15.3-133.2 176.4 14.1 37.9 51.5 51 48 A G H 3> S- 0 0 47 1,-0.2 4,-0.6 -2,-0.2 254,-0.1 -0.419 127.0 -9.3 65.8-118.8 11.6 40.6 50.7 52 49 A D H 3> S+ 0 0 108 -2,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.824 135.2 58.3 -83.6 -35.4 11.7 41.9 47.2 53 50 A T H <> S+ 0 0 0 -3,-1.0 4,-1.1 1,-0.2 -2,-0.2 0.868 108.2 49.2 -61.3 -33.8 14.8 40.0 46.2 54 51 A A H X S+ 0 0 17 -4,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.740 115.7 41.9 -76.9 -25.6 12.9 36.8 47.2 55 52 A N H X S+ 0 0 101 -4,-0.6 4,-0.8 -3,-0.2 -2,-0.2 0.644 106.4 61.3 -94.7 -18.1 9.9 37.8 45.1 56 53 A E H X S+ 0 0 27 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.858 110.7 41.3 -74.5 -35.7 11.8 39.0 42.1 57 54 A I H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.2 6,-0.4 0.916 105.8 62.7 -76.4 -46.0 13.3 35.5 41.7 58 55 A G H <>S+ 0 0 11 -4,-1.0 5,-2.0 1,-0.2 6,-1.1 0.815 114.4 36.8 -49.7 -29.8 10.0 33.8 42.5 59 56 A Q H ><5S+ 0 0 122 -4,-0.8 3,-2.3 3,-0.2 -2,-0.2 0.949 114.2 48.6 -88.4 -61.0 8.7 35.5 39.4 60 57 A V H 3<5S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.773 121.8 39.9 -51.1 -28.2 11.6 35.5 36.9 61 58 A L T 3<5S- 0 0 0 -4,-2.6 -47,-0.3 -5,-0.2 -1,-0.3 0.450 112.2-126.3 -99.3 -3.8 12.1 31.8 37.6 62 59 A H T < 5 + 0 0 45 -3,-2.3 3,-0.5 -5,-0.3 -3,-0.2 0.805 63.4 139.5 64.9 36.4 8.3 31.3 37.7 63 60 A F > < + 0 0 13 -5,-2.0 3,-1.6 -6,-0.4 -4,-0.2 0.372 26.8 124.3 -88.3 5.7 8.1 29.6 41.1 64 61 A E T 3 S+ 0 0 147 -6,-1.1 -1,-0.2 1,-0.3 -5,-0.1 0.757 90.0 12.7 -33.9 -40.4 4.9 31.6 41.8 65 62 A N T 3 S+ 0 0 130 -3,-0.5 2,-0.4 -7,-0.1 -1,-0.3 -0.397 92.5 116.4-143.9 66.2 3.1 28.3 42.5 66 63 A V < - 0 0 14 -3,-1.6 3,-0.4 -59,-0.0 2,-0.3 -0.953 49.5-151.2-132.1 108.0 5.6 25.5 42.9 67 64 A K S S+ 0 0 156 -2,-0.4 -61,-0.1 1,-0.2 5,-0.1 -0.653 74.1 14.2 -86.9 138.4 5.6 23.9 46.3 68 65 A D S > S+ 0 0 121 -2,-0.3 4,-2.1 3,-0.1 -1,-0.2 0.975 70.4 171.1 65.9 58.1 8.7 22.3 47.7 69 66 A V H > S+ 0 0 14 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.923 72.1 55.4 -65.5 -47.1 11.1 23.8 45.2 70 67 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.830 109.0 49.6 -58.4 -28.9 14.3 22.7 46.9 71 68 A F H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.952 105.6 56.5 -72.1 -48.3 13.0 19.1 46.8 72 69 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.921 114.6 38.9 -45.5 -50.5 12.2 19.5 43.2 73 70 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.865 106.3 65.2 -70.1 -36.4 15.8 20.4 42.6 74 71 A Q H X S+ 0 0 48 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.936 110.0 40.5 -50.0 -46.3 17.1 17.8 45.1 75 72 A T H X S+ 0 0 23 -4,-2.6 4,-3.0 2,-0.2 3,-0.2 0.994 113.5 48.4 -64.9 -68.0 15.7 15.2 42.8 76 73 A V H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.860 114.5 50.2 -41.0 -45.3 16.6 16.6 39.4 77 74 A T H X S+ 0 0 8 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.923 110.7 44.7 -64.5 -49.4 20.2 17.1 40.7 78 75 A S H X S+ 0 0 72 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.879 114.6 53.5 -63.1 -35.7 20.7 13.6 42.2 79 76 A D H X S+ 0 0 32 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.984 111.1 42.8 -59.3 -60.1 19.2 12.3 38.9 80 77 A V H < S+ 0 0 4 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.761 113.9 53.2 -58.9 -29.1 21.6 14.2 36.7 81 78 A N H >X S+ 0 0 73 -4,-2.0 3,-1.3 2,-0.2 4,-0.6 0.905 105.9 50.9 -75.8 -39.1 24.5 13.3 39.0 82 79 A K H >X S+ 0 0 121 -4,-2.4 3,-1.2 1,-0.3 4,-0.7 0.899 107.5 56.9 -60.2 -38.3 23.8 9.6 38.9 83 80 A L H 3X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.3 -1,-0.3 0.641 92.0 71.2 -66.8 -17.9 23.7 10.1 35.1 84 81 A S H <4 S+ 0 0 18 -3,-1.3 5,-0.4 -4,-0.3 -1,-0.3 0.773 93.0 54.2 -72.7 -26.2 27.2 11.5 35.3 85 82 A S H << S+ 0 0 105 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.838 118.8 34.8 -74.9 -33.6 28.7 8.1 36.0 86 83 A F H < S+ 0 0 79 -4,-0.7 -2,-0.2 3,-0.0 -3,-0.1 0.952 118.1 48.2 -83.3 -62.3 27.1 6.6 32.9 87 84 A Y S < S- 0 0 12 -4,-2.6 2,-1.3 1,-0.1 85,-0.1 -0.287 89.0-113.0 -76.2 165.1 27.2 9.5 30.4 88 85 A S E S+I 171 0B 56 83,-0.5 83,-2.5 -2,-0.0 2,-0.3 -0.515 81.4 114.7 -94.2 63.5 30.3 11.6 29.7 89 86 A L E -I 170 0B 1 -2,-1.3 2,-0.3 -5,-0.4 81,-0.2 -0.967 42.3-176.5-138.1 151.4 28.6 14.6 31.2 90 87 A K E -I 169 0B 53 79,-2.0 79,-2.0 -2,-0.3 2,-0.3 -0.986 4.8-170.8-145.0 144.8 29.1 16.8 34.3 91 88 A L E -I 168 0B 7 -2,-0.3 2,-0.6 77,-0.2 77,-0.2 -0.726 10.0-172.8-143.7 91.0 26.9 19.7 35.5 92 89 A I E +I 167 0B 10 75,-2.5 75,-1.7 -2,-0.3 2,-0.6 -0.759 7.7 178.6 -93.8 118.3 28.5 21.7 38.3 93 90 A K E +I 166 0B 3 -2,-0.6 2,-0.4 73,-0.2 73,-0.2 -0.978 14.6 168.0-115.6 119.4 26.4 24.3 40.1 94 91 A R E -I 165 0B 30 71,-2.1 71,-2.9 -2,-0.6 2,-0.6 -0.992 21.8-164.0-139.4 128.3 28.3 26.0 42.8 95 92 A L E -Ij 164 119B 6 23,-2.4 25,-1.4 -2,-0.4 2,-0.4 -0.943 14.6-157.9-115.4 111.5 27.5 29.1 44.8 96 93 A Y E -Ij 163 120B 0 67,-2.8 67,-2.9 -2,-0.6 2,-0.4 -0.706 8.4-171.8 -91.6 136.5 30.5 30.6 46.6 97 94 A V E -Ij 162 121B 0 23,-1.8 25,-2.2 -2,-0.4 65,-0.2 -0.986 23.0-118.7-129.6 137.3 30.0 32.9 49.6 98 95 A D E > - 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