==== 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 BLOOD CLOTTING 14-DEC-01 1KMA . COMPND 2 MOLECULE: DIPETALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIPETALOGASTER MAXIMUS; . AUTHOR B.SCHLOTT,J.WOHNERT,C.ICKE,M.HARTMANN,R.RAMACHANDRAN,K.- . 55 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 47.3 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 . 5 9.1 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 . 1 1.8 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 . 7 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 0 0 0 0 1 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 F 0 0 187 0, 0.0 2,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 80.8 -14.0 5.1 4.4 2 2 A Q + 0 0 166 4,-0.0 2,-1.5 33,-0.0 29,-0.0 -0.743 360.0 2.2-176.1 133.7 -12.0 8.2 3.5 3 3 A G S S+ 0 0 48 -2,-0.2 32,-0.0 1,-0.2 28,-0.0 -0.008 115.3 74.3 74.1 -31.1 -9.6 10.4 5.5 4 4 A N S S+ 0 0 157 -2,-1.5 -1,-0.2 1,-0.1 31,-0.1 0.953 107.7 30.4 -67.1 -56.3 -10.0 8.2 8.6 5 5 A P S S+ 0 0 29 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.933 121.5 53.6 -70.2 -48.4 -7.7 5.4 7.2 6 6 A a + 0 0 50 1,-0.2 22,-0.1 25,-0.1 -3,-0.1 -0.837 57.6 111.8 -97.0 125.4 -5.5 7.6 5.0 7 7 A E + 0 0 178 -2,-0.5 -1,-0.2 2,-0.1 21,-0.1 0.275 45.0 120.7-154.5 -24.3 -3.7 10.6 6.6 8 8 A b - 0 0 62 -3,-0.3 17,-0.0 1,-0.1 -2,-0.0 0.046 66.9 -92.2 -49.6 158.4 0.0 9.5 6.4 9 9 A P - 0 0 90 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.124 36.6 -98.0 -75.1 169.4 2.7 11.5 4.5 10 10 A R + 0 0 234 2,-0.1 2,-0.4 15,-0.0 -2,-0.0 -0.202 63.1 161.3 -80.3 43.6 3.8 11.1 0.8 11 11 A A - 0 0 45 -2,-1.4 2,-1.3 1,-0.1 -3,-0.0 -0.609 42.9-137.7 -65.5 123.2 6.7 9.0 2.0 12 12 A L + 0 0 135 -2,-0.4 2,-1.9 1,-0.1 13,-0.2 -0.208 53.7 143.1 -77.0 42.8 8.1 7.0 -0.9 13 13 A H - 0 0 112 -2,-1.3 33,-0.2 11,-0.2 -1,-0.1 -0.462 41.3-157.8 -84.9 63.3 8.5 3.9 1.4 14 14 A R + 0 0 72 -2,-1.9 32,-0.3 11,-0.1 10,-0.2 -0.179 21.0 164.0 -55.8 134.9 7.5 1.5 -1.4 15 15 A V E -A 23 0A 0 8,-2.7 8,-2.9 31,-0.2 2,-0.4 -0.781 30.6-109.8-139.3-178.3 6.1 -1.9 -0.2 16 16 A c E -AB 22 44A 3 28,-0.7 28,-0.7 30,-0.7 27,-0.3 -0.947 15.5-153.1-125.2 137.3 4.1 -4.9 -1.4 17 17 A G > - 0 0 2 4,-2.5 3,-2.4 -2,-0.4 4,-0.3 -0.623 46.2 -87.0 -95.9 168.8 0.6 -6.2 -0.7 18 18 A S T 3 S+ 0 0 60 23,-0.8 22,-0.1 1,-0.3 24,-0.1 0.713 125.2 62.1 -50.7 -31.3 -0.4 -9.9 -0.9 19 19 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.367 121.2-105.9 -69.0 0.0 -1.2 -9.7 -4.7 20 20 A G S < S+ 0 0 34 -3,-2.4 2,-0.5 1,-0.3 29,-0.3 0.435 76.9 150.1 76.8 -0.3 2.5 -8.8 -5.3 21 21 A N - 0 0 75 -4,-0.3 -4,-2.5 27,-0.1 -1,-0.3 -0.553 44.2-134.5 -75.1 110.8 0.9 -5.3 -5.8 22 22 A T E -A 16 0A 15 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.436 17.8-158.2 -65.8 144.0 3.4 -2.6 -4.8 23 23 A Y E -A 15 0A 51 -8,-2.9 -8,-2.7 -2,-0.1 4,-0.0 -0.929 26.5-123.9-119.4 145.4 2.1 0.3 -2.7 24 24 A S S S- 0 0 48 -2,-0.3 -11,-0.2 -10,-0.2 -1,-0.1 0.730 95.9 -9.1 -58.3 -29.2 3.7 3.8 -2.3 25 25 A N > - 0 0 9 -13,-0.2 4,-1.1 -11,-0.1 3,-0.5 -0.932 66.8-114.6-163.9 156.0 3.9 3.2 1.5 26 26 A P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.698 113.4 66.8 -70.3 -16.4 2.6 0.6 4.0 27 27 A b H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -19,-0.1 0.908 100.0 47.7 -69.3 -41.4 0.5 3.4 5.5 28 28 A M H > S+ 0 0 84 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.843 110.1 55.9 -66.1 -31.7 -1.6 3.6 2.3 29 29 A L H X S+ 0 0 2 -4,-1.1 4,-3.3 2,-0.2 -2,-0.2 0.999 111.7 39.0 -59.6 -68.3 -1.9 -0.3 2.5 30 30 A T H X S+ 0 0 76 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.880 117.6 53.0 -52.0 -39.3 -3.4 -0.4 6.0 31 31 A a H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.986 112.1 43.0 -53.1 -68.5 -5.4 2.7 5.1 32 32 A A H X>S+ 0 0 20 -4,-3.1 4,-2.9 2,-0.2 5,-1.2 0.830 113.6 54.5 -39.2 -52.8 -6.8 1.0 1.9 33 33 A K H X5S+ 0 0 67 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.963 115.1 36.0 -51.0 -63.4 -7.3 -2.2 4.0 34 34 A H H <5S+ 0 0 156 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.586 119.2 56.1 -65.6 -16.9 -9.4 -0.5 6.7 35 35 A E H <5S- 0 0 82 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.965 139.7 -43.0 -77.9 -66.2 -11.0 1.7 3.9 36 36 A G H <5S+ 0 0 53 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.092 114.1 89.7-158.5 23.7 -12.4 -0.9 1.5 37 37 A N ><< + 0 0 53 -4,-1.5 3,-2.0 -5,-1.2 -3,-0.1 -0.456 32.5 157.8-127.3 60.7 -9.8 -3.7 1.1 38 38 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.729 78.5 58.6 -61.2 -17.7 -10.6 -6.3 3.8 39 39 A D T 3 S+ 0 0 135 -3,-0.1 -21,-0.1 -6,-0.1 2,-0.1 0.644 87.0 92.8 -78.7 -26.4 -8.7 -8.9 1.6 40 40 A L < + 0 0 4 -3,-2.0 2,-0.3 -7,-0.1 -3,-0.0 -0.407 55.7 179.0 -66.0 153.4 -5.5 -6.8 1.6 41 41 A V - 0 0 62 -2,-0.1 2,-1.8 3,-0.1 -23,-0.8 -0.971 42.4-104.0-150.9 149.4 -3.0 -7.8 4.4 42 42 A Q + 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -25,-0.1 -0.653 44.3 171.5 -72.6 85.7 0.5 -6.6 5.4 43 43 A V - 0 0 76 -2,-1.8 2,-0.2 1,-0.3 -1,-0.2 0.921 65.0 -56.9 -56.5 -47.2 2.2 -9.6 3.9 44 44 A H B -B 16 0A 119 -28,-0.7 -28,-0.7 -3,-0.2 -1,-0.3 -0.787 58.8 -95.7 166.1 151.3 5.6 -7.8 4.5 45 45 A E S S+ 0 0 101 -2,-0.2 -30,-0.2 -30,-0.2 -31,-0.1 0.080 75.7 75.6 -68.3-173.3 7.2 -4.4 3.6 46 46 A G S S- 0 0 29 -32,-0.3 -30,-0.7 -33,-0.2 -31,-0.2 0.378 87.8 -79.7 74.7 142.1 9.6 -3.8 0.6 47 47 A P - 0 0 63 0, 0.0 -31,-0.2 0, 0.0 -26,-0.1 -0.524 27.2-158.5 -79.1 143.7 8.4 -3.6 -3.0 48 48 A c S S+ 0 0 82 -33,-0.3 -27,-0.1 -28,-0.2 -32,-0.1 0.866 77.2 71.0 -84.6 -43.3 7.6 -6.8 -5.0 49 49 A D S S- 0 0 56 -29,-0.3 4,-0.0 3,-0.2 -29,-0.0 -0.328 97.4-109.3 -65.2 159.5 8.0 -5.2 -8.4 50 50 A E S S- 0 0 163 1,-0.1 -1,-0.1 -2,-0.1 3,-0.0 0.960 80.7 -51.7 -58.0 -64.4 11.5 -4.1 -9.5 51 51 A H S S+ 0 0 136 -3,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.171 119.3 38.5-167.4 34.5 11.1 -0.3 -9.2 52 52 A D S S- 0 0 87 2,-0.1 -3,-0.2 0, 0.0 -30,-0.1 -0.597 73.7-115.4-173.3-167.5 7.9 0.6 -11.2 53 53 A H S S+ 0 0 120 -2,-0.2 2,-0.3 -32,-0.1 -32,-0.0 -0.175 80.2 66.2-153.4 46.0 4.4 -0.7 -11.9 54 54 A D 0 0 116 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.963 360.0 360.0-169.7 157.1 4.3 -1.5 -15.7 55 55 A F 0 0 286 -2,-0.3 -2,-0.0 -3,-0.0 0, 0.0 -0.716 360.0 360.0 -83.4 360.0 5.7 -3.8 -18.3