==== 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 CELL ADHESION 22-JAN-02 1KUP . COMPND 2 MOLECULE: INTEGRIN ALPHA-IIB; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.M.WELJIE,P.M.HWANG,H.J.VOGEL . 36 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 52.8 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 5.6 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 1 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 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.0 13.5 -4.0 8.9 2 2 A W - 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.649 360.0 -24.5-120.7 -73.4 10.5 -3.5 11.2 3 3 A K S >> S+ 0 0 62 2,-0.1 3,-2.7 3,-0.0 4,-2.2 0.602 107.0 93.2-121.2 -26.7 7.1 -4.1 9.7 4 4 A V H 3> + 0 0 8 1,-0.3 4,-2.3 2,-0.3 5,-0.5 0.810 67.9 82.4 -38.6 -42.3 7.5 -3.6 6.0 5 5 A G H 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.825 122.7 3.6 -32.7 -44.9 8.2 -7.3 5.7 6 6 A F H <> S+ 0 0 131 -3,-2.7 4,-2.8 3,-0.1 5,-0.4 0.403 129.6 68.8-120.4 -7.2 4.4 -7.6 5.7 7 7 A F H < S+ 0 0 27 -4,-2.2 -3,-0.3 3,-0.2 -2,-0.2 0.889 87.3 62.8 -80.3 -42.1 3.6 -3.9 5.7 8 8 A K T < S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.683 123.6 24.3 -54.9 -18.4 4.9 -3.1 2.3 9 9 A R T 4 S+ 0 0 162 -5,-0.5 -2,-0.2 -3,-0.1 -1,-0.2 0.707 134.2 31.7-115.1 -42.3 2.1 -5.5 1.2 10 10 A N < 0 0 95 -4,-2.8 -3,-0.2 -6,-0.2 -2,-0.1 0.953 360.0 360.0 -82.3 -78.5 -0.4 -5.4 4.1 11 11 A R 0 0 91 -5,-0.4 9,-0.4 -8,-0.1 10,-0.3 -0.350 360.0 360.0 -73.6 360.0 -0.5 -2.0 5.7 12 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 12 B K >>> 0 0 110 0, 0.0 5,-1.1 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -25.4 8.8 0.5 1.7 14 13 B L T 345 + 0 0 124 1,-0.2 -6,-0.0 3,-0.2 0, 0.0 0.049 360.0 53.9 -77.3 31.5 8.5 4.1 2.9 15 14 B L T 345S+ 0 0 123 -2,-0.3 -1,-0.2 -7,-0.0 -7,-0.0 0.507 130.2 3.7-130.7 -31.8 5.8 4.5 0.3 16 15 B I T <>5S+ 0 0 48 -3,-0.8 4,-1.1 3,-0.1 5,-0.2 0.668 124.1 56.8-121.7 -58.0 3.4 1.7 1.2 17 16 B T T <5S- 0 0 0 -4,-0.6 4,-0.3 1,-0.2 -3,-0.2 0.929 135.0 -4.3 -40.1 -75.0 4.7 -0.1 4.3 18 17 B I T >4 S+ 0 0 51 -6,-0.6 4,-1.3 1,-0.2 -2,-0.2 0.640 90.6 70.0 -60.0 -15.0 3.9 5.7 4.3 20 19 B D T ><>S+ 0 0 0 -4,-1.1 5,-1.1 -9,-0.4 3,-0.6 0.948 94.3 50.1 -70.8 -47.2 0.4 4.2 4.0 21 20 B R T <45S+ 0 0 160 -3,-0.7 -1,-0.2 -10,-0.3 -2,-0.2 0.623 108.5 61.1 -64.6 -9.2 -0.7 5.0 7.6 22 21 B K T 345S+ 0 0 162 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.861 111.1 32.3 -83.1 -42.8 0.6 8.4 6.5 23 22 B E T <<5S- 0 0 68 -4,-1.3 3,-0.1 -3,-0.6 -3,-0.1 0.768 132.4 -40.8 -81.8-110.0 -1.8 9.0 3.7 24 23 B F T >>5S+ 0 0 124 1,-0.1 3,-1.2 8,-0.1 4,-0.8 -0.304 75.7 140.9-120.9 48.3 -5.3 7.6 3.8 25 24 B A T 34< + 0 0 18 -5,-1.1 4,-0.3 1,-0.3 -4,-0.1 0.610 52.4 93.1 -64.7 -9.8 -4.7 4.1 5.3 26 25 B K T 34 S+ 0 0 136 1,-0.2 -1,-0.3 -6,-0.2 3,-0.1 0.906 112.0 5.6 -49.2 -47.1 -7.9 4.7 7.3 27 26 B F T X>>S+ 0 0 80 -3,-1.2 4,-2.0 2,-0.1 3,-1.6 0.283 104.9 100.5-120.0 5.9 -9.9 3.0 4.5 28 27 B E T 3<5S+ 0 0 6 -4,-0.8 -2,-0.1 4,-0.3 -3,-0.1 0.364 87.6 50.0 -74.5 9.8 -6.9 1.9 2.5 29 28 B E T 345S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.382 126.0 23.2-120.6 -8.0 -7.5 -1.5 4.2 30 29 B E T <45S- 0 0 171 -3,-1.6 -2,-0.2 -5,-0.1 4,-0.1 0.667 142.0 -19.4-121.4 -62.9 -11.2 -1.6 3.4 31 30 B R T >X5S+ 0 0 166 -4,-2.0 4,-0.9 2,-0.1 3,-0.5 0.700 120.3 70.3-120.4 -48.7 -12.1 0.6 0.4 32 31 B A T 34> S+ 0 0 115 -6,-0.8 3,-2.7 2,-0.2 4,-1.4 0.849 93.0 62.2 -97.3 -46.4 -7.3 0.2 -1.4 34 33 B A T <4 S+ 0 0 57 -3,-0.5 -2,-0.2 1,-0.3 -1,-0.1 0.679 90.1 77.0 -55.5 -11.0 -9.5 -1.4 -4.0 35 34 B K T 3< S+ 0 0 119 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.908 101.4 37.3 -61.8 -41.6 -8.9 2.0 -5.7 36 35 B W T <4 0 0 151 -3,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.804 360.0 360.0 -77.4 -34.4 -5.6 0.6 -6.6 37 36 B D < 0 0 161 -4,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.775 360.0 360.0 -49.0 360.0 -7.0 -2.9 -7.2