==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-DEC-05 2CA7 . COMPND 2 MOLECULE: CONKUNITZIN-S1; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS STRIATUS; . AUTHOR M.BAYRHUBER,V.VIJAYAN,M.FERBER,R.GRAF,J.KORUKOTTU, . 60 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 53.3 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 . 10 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 1 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 . 1 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 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 K 0 0 145 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.7 2.3 -16.7 -5.1 2 2 A D - 0 0 49 1,-0.2 57,-0.0 57,-0.1 0, 0.0 -0.595 360.0 -30.2-125.9 165.7 2.7 -15.9 -4.1 3 3 A R - 0 0 143 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.222 57.7-106.9 -19.1 133.7 2.7 -12.5 -3.2 4 4 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.657 28.2-130.7 -70.8 134.3 2.7 -9.8 -5.7 5 5 A S G > S+ 0 0 103 -2,-0.3 3,-1.0 1,-0.3 4,-0.1 0.614 101.2 76.3 -65.3 -11.5 6.2 -8.2 -5.5 6 6 A L G 3 S+ 0 0 78 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.579 84.8 64.4 -75.1 -8.3 4.6 -4.8 -5.3 7 7 A a G < S+ 0 0 7 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.539 94.9 59.4 -87.8 -10.1 3.8 -5.6 -1.7 8 8 A D S < S+ 0 0 105 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.417 85.0 110.1 -97.4 -0.8 7.5 -5.7 -0.9 9 9 A L S S- 0 0 41 -3,-0.4 18,-0.1 1,-0.1 16,-0.1 -0.528 73.3-103.8 -81.8 137.9 7.9 -2.3 -2.0 10 10 A P - 0 0 81 0, 0.0 2,-0.8 0, 0.0 35,-0.2 -0.225 26.7-106.5 -63.6 147.8 8.6 0.4 0.3 11 11 A A - 0 0 44 -3,-0.1 2,-0.5 13,-0.1 35,-0.1 -0.679 44.8-172.6 -71.8 112.0 6.4 2.8 1.6 12 12 A D - 0 0 63 -2,-0.8 31,-0.4 33,-0.3 23,-0.1 -0.950 18.1-167.5-116.7 134.3 7.5 5.8 -0.2 13 13 A S - 0 0 57 -2,-0.5 25,-1.8 24,-0.1 3,-0.3 0.711 29.7-141.0 -94.1 -21.6 6.2 9.1 0.7 14 14 A G - 0 0 14 23,-0.2 27,-0.2 1,-0.2 28,-0.2 -0.076 18.6-104.9 75.1 169.0 7.4 11.1 -2.2 15 15 A S + 0 0 114 25,-0.7 -1,-0.2 26,-0.1 26,-0.1 -0.024 68.6 139.2-118.8 30.3 8.7 14.5 -1.8 16 16 A G - 0 0 23 24,-0.8 23,-0.1 -3,-0.3 25,-0.0 0.047 60.1-120.3 -73.6-178.6 5.7 16.3 -3.3 17 17 A T S S+ 0 0 130 21,-0.1 2,-0.1 2,-0.0 22,-0.1 0.616 86.6 72.0 -98.1 -14.7 4.0 19.5 -2.3 18 18 A K S S- 0 0 127 20,-0.7 2,-0.5 22,-0.0 22,-0.2 -0.460 73.0-130.4-100.3 165.1 0.5 18.0 -1.7 19 19 A A + 0 0 76 -2,-0.1 2,-0.4 20,-0.1 19,-0.2 -0.991 30.4 170.2-120.9 124.3 -0.8 15.8 1.2 20 20 A E E -A 37 0A 56 17,-1.3 17,-2.6 -2,-0.5 2,-0.7 -0.998 29.3-132.8-143.1 134.5 -2.7 12.7 0.3 21 21 A K E +A 36 0A 134 -2,-0.4 2,-0.2 15,-0.2 15,-0.2 -0.750 40.0 154.2 -91.1 109.1 -3.8 9.9 2.5 22 22 A R E -A 35 0A 46 13,-2.2 13,-1.9 -2,-0.7 2,-0.4 -0.718 32.6-126.4-126.7-177.0 -3.1 6.5 1.0 23 23 A I E -AB 34 47A 20 24,-2.8 24,-2.0 11,-0.3 2,-0.3 -0.983 20.4-179.6-137.1 142.8 -2.5 2.9 2.2 24 24 A Y E -A 33 0A 34 9,-3.2 9,-3.2 -2,-0.4 2,-0.7 -0.916 37.0 -99.6-133.5 161.9 0.2 0.4 1.6 25 25 A Y E -A 32 0A 33 -2,-0.3 2,-0.7 7,-0.3 7,-0.3 -0.745 31.7-143.6 -82.1 114.4 1.0 -3.1 2.7 26 26 A N E >> -A 31 0A 33 5,-2.4 5,-1.2 -2,-0.7 4,-0.9 -0.735 10.6-159.0 -79.4 119.8 3.4 -3.0 5.6 27 27 A S T 45S+ 0 0 61 -2,-0.7 -1,-0.2 2,-0.2 -19,-0.1 0.887 84.3 44.6 -72.0 -40.9 5.5 -6.0 4.9 28 28 A A T 45S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.892 119.3 41.9 -73.4 -39.8 6.9 -6.6 8.4 29 29 A R T 45S- 0 0 145 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.659 99.9-138.8 -78.2 -14.6 3.6 -6.1 10.2 30 30 A K T <5 + 0 0 134 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.789 69.4 109.9 54.8 33.4 1.9 -8.1 7.4 31 31 A Q E S- 0 0 122 -26,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.985 73.6-133.8-139.6 142.2 -8.6 1.5 -0.6 50 50 A T H > S+ 0 0 82 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.823 106.9 50.3 -64.6 -36.8 -8.1 -0.9 2.3 51 51 A Y H > S+ 0 0 117 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.857 105.4 59.2 -70.6 -34.5 -9.7 -3.9 0.6 52 52 A D H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.946 110.3 40.9 -58.5 -47.2 -7.6 -3.3 -2.5 53 53 A b H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.4 0.952 118.4 48.6 -61.3 -49.1 -4.4 -3.7 -0.4 54 54 A Q H X>S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 5,-0.6 0.909 112.0 47.5 -56.2 -50.1 -6.0 -6.6 1.5 55 55 A R H X5S+ 0 0 154 -4,-3.7 4,-0.9 3,-0.2 -1,-0.2 0.928 117.5 40.4 -65.8 -47.4 -7.1 -8.4 -1.5 56 56 A T H <5S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.927 127.3 28.7 -75.8 -37.9 -3.9 -8.2 -3.4 57 57 A a H <5S+ 0 0 6 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.658 121.5 47.8 -97.0 -15.4 -1.4 -8.8 -0.6 58 58 A L H <5S+ 0 0 83 -4,-2.0 2,-1.8 -5,-0.4 -3,-0.2 0.750 91.4 78.6 -99.1 -23.8 -3.3 -11.0 1.7 59 59 A Y << 0 0 135 -4,-0.9 -1,-0.2 -5,-0.6 -57,-0.1 -0.578 360.0 360.0 -89.8 79.4 -4.7 -13.4 -0.6 60 60 A T 0 0 112 -2,-1.8 -1,-0.2 -3,-0.1 -2,-0.1 0.182 360.0 360.0-132.1 360.0 -1.8 -15.5 -1.1