==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-07 2PJI . COMPND 2 MOLECULE: RHODOSTOXIN-DISINTEGRIN RHODOSTOMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA; . AUTHOR W.-J.CHUANG,Y.-C.LIU,J.-H.SHIU . 68 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 38.2 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 . 12 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 1 1.5 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 . 6 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.5 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+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 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.5 -10.6 -10.4 8.1 2 2 A K - 0 0 189 1,-0.1 3,-0.0 2,-0.1 0, 0.0 0.096 360.0-146.1 -59.7-174.7 -11.8 -6.9 8.8 3 3 A E + 0 0 119 17,-0.0 2,-0.6 16,-0.0 -1,-0.1 0.087 55.2 118.4-145.2 24.4 -14.0 -5.1 6.2 4 4 A a + 0 0 62 1,-0.2 16,-0.3 16,-0.1 15,-0.1 -0.841 32.7 179.7 -99.2 120.8 -12.9 -1.4 6.6 5 5 A D S S+ 0 0 39 14,-3.9 24,-0.5 -2,-0.6 23,-0.3 0.828 75.2 1.0 -86.6 -32.6 -11.4 0.1 3.4 6 6 A b - 0 0 8 13,-1.3 15,-0.0 22,-0.1 24,-0.0 -0.635 69.2-120.6-135.8-165.1 -10.9 3.5 5.1 7 7 A S S S+ 0 0 95 -2,-0.2 13,-0.0 -3,-0.1 -3,-0.0 -0.249 74.9 84.6-141.0 51.6 -11.5 5.2 8.5 8 8 A S - 0 0 61 1,-0.1 3,-0.3 3,-0.1 -2,-0.1 -0.943 50.9-159.4-156.8 132.3 -13.9 8.1 7.9 9 9 A P S S+ 0 0 109 0, 0.0 7,-0.3 0, 0.0 5,-0.1 0.825 98.6 53.7 -79.2 -35.7 -17.7 8.4 7.6 10 10 A E S S+ 0 0 180 5,-0.1 3,-0.1 6,-0.1 5,-0.0 0.483 84.6 112.3 -79.4 1.6 -17.6 11.8 5.7 11 11 A N > - 0 0 26 -3,-0.3 3,-0.9 1,-0.2 5,-0.2 -0.646 55.2-160.7 -78.9 125.3 -15.2 10.1 3.2 12 12 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 10,-0.2 0.724 89.9 62.5 -76.4 -23.2 -17.0 9.8 -0.2 13 13 A c T 3 S+ 0 0 17 9,-0.2 2,-0.4 15,-0.1 9,-0.2 0.338 105.6 55.1 -84.7 10.7 -14.5 7.1 -1.3 14 14 A b S < S- 0 0 6 -3,-0.9 2,-1.0 7,-0.4 7,-0.3 -0.984 75.8-137.0-146.5 134.2 -15.7 4.9 1.5 15 15 A D B >>> -A 20 0A 52 5,-3.7 4,-3.5 -2,-0.4 3,-2.0 -0.758 10.0-163.0 -91.0 103.8 -19.2 3.7 2.5 16 16 A A T 345S+ 0 0 62 -2,-1.0 -1,-0.2 -7,-0.3 -6,-0.1 0.857 87.6 72.4 -55.1 -30.8 -19.5 4.0 6.3 17 17 A A T 345S+ 0 0 94 1,-0.2 -1,-0.3 -8,-0.1 -2,-0.0 0.876 123.4 9.4 -53.3 -34.4 -22.4 1.6 6.0 18 18 A T T <45S- 0 0 64 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.465 99.4-124.0-122.4 -8.8 -19.8 -1.1 5.3 19 19 A a T <5S+ 0 0 37 -4,-3.5 -14,-3.9 1,-0.2 -13,-1.3 0.659 78.8 104.6 74.8 11.0 -16.6 0.8 6.1 20 20 A K B - 0 0 16 -2,-0.3 3,-2.2 3,-0.3 33,-0.3 -0.701 66.4-105.1 161.5 144.8 -3.8 5.1 2.5 31 31 A L T 3 S+ 0 0 111 1,-0.3 32,-0.2 -2,-0.2 26,-0.1 0.716 126.3 42.8 -61.2 -15.8 -0.2 6.3 2.1 32 32 A e T 3 S+ 0 0 0 30,-4.1 7,-3.5 -3,-0.1 2,-0.7 0.212 93.9 95.8-114.2 15.0 -0.1 4.3 -1.1 33 33 A d E < -B 38 0B 22 -3,-2.2 2,-0.5 29,-0.4 3,-0.3 -0.895 50.7-176.6-110.0 114.0 -3.5 5.3 -2.4 34 34 A E E > S-B 37 0B 107 3,-2.1 3,-0.7 -2,-0.7 -7,-0.1 -0.913 73.3 -3.5-110.6 129.6 -3.5 8.2 -4.9 35 35 A Q T 3 S- 0 0 179 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.903 131.3 -58.9 61.0 37.3 -6.8 9.6 -6.2 36 36 A c T 3 S+ 0 0 32 -3,-0.3 -9,-1.6 1,-0.2 -10,-0.8 0.843 121.0 105.6 61.6 30.0 -8.6 6.9 -4.3 37 37 A K E < S-B 34 0B 106 -3,-0.7 -3,-2.1 -11,-0.2 2,-0.3 -0.954 83.1 -90.4-137.6 157.8 -6.6 4.3 -6.3 38 38 A F E -B 33 0B 66 -2,-0.3 -5,-0.2 -5,-0.2 24,-0.1 -0.494 45.0-129.9 -68.6 128.9 -3.7 2.0 -5.5 39 39 A S - 0 0 2 -7,-3.5 22,-0.1 22,-0.5 4,-0.1 -0.184 35.4 -85.1 -69.9 172.0 -0.4 3.8 -6.3 40 40 A R - 0 0 200 1,-0.1 19,-0.5 2,-0.1 3,-0.5 -0.291 54.9 -86.3 -74.1 166.3 2.2 2.0 -8.5 41 41 A A E S+C 58 0C 67 17,-0.4 17,-0.3 18,-0.2 -1,-0.1 -0.440 111.9 44.7 -72.3 146.2 4.7 -0.4 -6.9 42 42 A G E S+ 0 0 35 15,-3.9 2,-0.8 1,-0.2 -1,-0.2 0.730 72.0 157.0 92.9 24.0 7.8 1.2 -5.5 43 43 A K E -C 57 0C 83 14,-1.0 14,-3.3 -3,-0.5 2,-1.9 -0.728 45.0-131.9 -86.7 112.8 6.0 4.1 -3.8 44 44 A I E +C 56 0C 68 -2,-0.8 12,-0.3 12,-0.3 3,-0.2 -0.380 46.5 154.0 -64.2 86.6 8.3 5.4 -1.0 45 45 A f E S+ 0 0 15 -2,-1.9 2,-0.5 10,-0.9 -1,-0.2 0.830 71.4 29.9 -84.7 -32.8 5.6 5.5 1.7 46 46 A R E -C 55 0C 109 9,-1.6 9,-2.3 -3,-0.3 2,-1.0 -0.929 62.5-171.9-130.5 111.7 8.1 5.1 4.5 47 47 A I - 0 0 96 -2,-0.5 7,-0.2 7,-0.2 -3,-0.0 -0.442 16.8-167.8 -98.2 62.7 11.7 6.5 4.1 48 48 A A - 0 0 24 -2,-1.0 2,-0.3 5,-0.2 -2,-0.1 -0.260 7.8-158.3 -51.3 124.3 13.1 5.0 7.3 49 49 A R + 0 0 229 2,-0.1 2,-0.4 5,-0.0 -1,-0.1 -0.838 50.0 43.3-109.2 147.0 16.5 6.7 7.8 50 50 A G S S- 0 0 72 -2,-0.3 -2,-0.0 2,-0.2 0, 0.0 -0.979 119.6 -16.5 127.5-136.0 19.4 5.3 9.9 51 51 A D S S+ 0 0 162 -2,-0.4 -1,-0.1 2,-0.0 -2,-0.1 0.413 120.6 79.6 -87.9 4.9 20.6 1.6 10.0 52 52 A M S S- 0 0 107 1,-0.1 -2,-0.2 0, 0.0 0, 0.0 -0.819 79.9-119.7-112.8 154.9 17.4 0.5 8.3 53 53 A P - 0 0 73 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.073 34.5 -98.4 -78.1-178.1 16.4 0.7 4.6 54 54 A D - 0 0 77 -7,-0.2 2,-0.4 13,-0.0 -7,-0.2 -0.163 31.0-121.3 -91.6-168.2 13.3 2.6 3.3 55 55 A D E -C 46 0C 26 -9,-2.3 -9,-1.6 -2,-0.0 -10,-0.9 -0.982 20.0-168.9-141.2 128.7 9.9 1.2 2.4 56 56 A R E -C 44 0C 163 -2,-0.4 -12,-0.3 -12,-0.3 -24,-0.1 -0.946 29.2-111.8-119.6 137.2 8.1 1.3 -1.0 57 57 A e E -C 43 0C 2 -14,-3.3 -15,-3.9 -2,-0.4 -14,-1.0 -0.269 22.9-124.5 -61.3 150.7 4.4 0.4 -1.5 58 58 A T E -C 41 0C 81 -17,-0.3 -17,-0.4 -16,-0.2 -1,-0.2 0.528 43.1-115.1 -74.9 -2.2 3.8 -2.8 -3.6 59 59 A G S S+ 0 0 13 -19,-0.5 -18,-0.2 2,-0.2 -1,-0.1 0.297 111.6 62.4 86.2 -13.5 1.7 -0.7 -5.9 60 60 A Q S S+ 0 0 151 -20,-0.1 2,-0.2 -22,-0.0 -20,-0.1 0.522 83.8 87.3-117.5 -13.9 -1.3 -2.7 -4.9 61 61 A S - 0 0 35 1,-0.1 -22,-0.5 -22,-0.1 -2,-0.2 -0.588 59.4-157.5 -86.9 150.6 -1.4 -1.9 -1.2 62 62 A A S S+ 0 0 14 -2,-0.2 -30,-4.1 -24,-0.1 -29,-0.4 0.916 75.4 35.3 -92.0 -59.4 -3.3 1.3 0.0 63 63 A D S S- 0 0 81 -33,-0.3 -18,-0.1 -32,-0.2 -33,-0.1 -0.064 90.5-106.3 -80.9-169.5 -1.7 2.1 3.4 64 64 A f - 0 0 21 -19,-0.1 -7,-0.0 -7,-0.1 -1,-0.0 -0.975 27.3-162.0-129.2 124.4 2.0 1.6 4.2 65 65 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -8,-0.0 0.157 21.5-112.5 -80.8-159.2 3.4 -1.2 6.4 66 66 A R - 0 0 142 2,-0.3 -20,-0.0 1,-0.0 -12,-0.0 -0.420 32.4 -90.1-123.4-159.0 6.9 -1.3 8.0 67 67 A Y 0 0 155 -2,-0.1 -13,-0.0 -14,-0.1 -1,-0.0 0.822 360.0 360.0 -88.7 -32.8 10.0 -3.4 7.6 68 68 A H 0 0 202 -3,-0.0 -2,-0.3 0, 0.0 -1,-0.0 -0.811 360.0 360.0-103.2 360.0 9.1 -6.0 10.2