==== 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 2PJF . COMPND 2 MOLECULE: RHODOSTOXIN-DISINTEGRIN RHODOSTOMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA; . AUTHOR W.J.CHUANG,Y.C.CHEN,C.Y.CHEN,Y.T.CHANG . 68 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 44.1 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 . 13 19.1 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 . 5 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.4 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 . 1 1.5 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 . 0 2 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 . 3 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 0 108 0, 0.0 2,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 41.4 -12.7 -7.2 12.3 2 2 A K T 3 + 0 0 179 1,-0.2 3,-0.1 3,-0.0 18,-0.0 -0.212 360.0 86.8 -86.9 49.0 -12.6 -7.4 8.5 3 3 A E T 3 S+ 0 0 118 -2,-1.1 2,-0.5 1,-0.2 -1,-0.2 0.445 80.0 56.9-122.8 -6.7 -15.3 -4.7 8.2 4 4 A a < + 0 0 79 -3,-0.9 16,-0.3 1,-0.1 -1,-0.2 -0.955 45.7 172.6-130.9 118.5 -13.1 -1.6 8.2 5 5 A D S S+ 0 0 59 14,-2.9 23,-0.7 -2,-0.5 24,-0.4 0.611 75.0 38.0 -96.8 -13.5 -10.3 -1.0 5.7 6 6 A b - 0 0 8 13,-1.0 -1,-0.0 22,-0.1 24,-0.0 -0.910 66.6-142.1-132.9 161.9 -9.6 2.6 6.8 7 7 A S S S+ 0 0 102 -2,-0.3 -1,-0.1 -3,-0.0 -2,-0.0 0.856 84.5 71.3 -92.0 -40.4 -9.5 4.4 10.2 8 8 A S > - 0 0 57 1,-0.1 3,-0.8 2,-0.1 6,-0.1 -0.637 68.8-151.7 -80.4 132.3 -11.1 7.7 9.1 9 9 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.492 96.3 54.0 -78.9 -4.8 -14.8 7.5 8.2 10 10 A E T 3 S+ 0 0 180 5,-0.1 6,-0.1 6,-0.1 -2,-0.1 0.401 76.4 125.2-109.3 1.4 -14.4 10.4 5.8 11 11 A N < - 0 0 33 -3,-0.8 5,-0.1 1,-0.2 8,-0.1 -0.410 52.1-151.4 -63.5 135.5 -11.5 8.9 3.7 12 12 A P S S+ 0 0 109 0, 0.0 10,-0.2 0, 0.0 -1,-0.2 0.774 92.4 64.2 -78.4 -29.3 -12.4 8.7 0.0 13 13 A c S S+ 0 0 18 15,-0.4 9,-1.6 9,-0.1 2,-0.4 0.862 107.3 46.9 -64.9 -31.8 -10.2 5.7 -0.6 14 14 A b E S-A 21 0A 3 7,-0.3 2,-0.4 14,-0.3 7,-0.3 -0.872 93.2-114.5-112.6 145.0 -12.5 3.7 1.7 15 15 A D E >> -A 20 0A 37 5,-4.4 4,-1.4 -2,-0.4 5,-0.8 -0.595 14.9-155.0 -76.6 129.0 -16.3 3.7 1.6 16 16 A A T 45S+ 0 0 64 -2,-0.4 -1,-0.2 3,-0.2 -6,-0.1 0.847 91.3 65.2 -73.1 -30.6 -17.8 5.2 4.8 17 17 A A T 45S+ 0 0 98 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.970 126.4 11.3 -55.8 -53.5 -21.0 3.2 4.3 18 18 A T T 45S- 0 0 72 2,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.485 99.6-128.1-102.9 -4.4 -19.2 -0.1 4.8 19 19 A a T <5S+ 0 0 25 -4,-1.4 -14,-2.9 1,-0.2 -13,-1.0 0.801 75.0 107.4 64.6 24.7 -16.0 1.5 6.1 20 20 A K E - 0 0 25 -2,-0.3 3,-1.2 3,-0.2 33,-0.2 -0.799 68.1 -89.9 161.3 157.5 -1.3 4.1 5.1 31 31 A L T 3 S+ 0 0 68 1,-0.3 32,-0.2 -2,-0.2 26,-0.1 0.650 129.3 41.0 -65.2 -7.7 2.2 5.5 4.8 32 32 A e T 3 S+ 0 0 1 30,-1.5 7,-3.2 7,-0.1 2,-0.5 -0.307 83.8 112.7-134.1 53.1 2.4 3.6 1.5 33 33 A d E X +B 38 0B 28 -3,-1.2 2,-0.6 5,-0.2 3,-0.6 -0.807 37.1 178.4-127.8 93.1 -1.0 4.1 -0.1 34 34 A E E > S-B 37 0B 152 3,-1.6 3,-1.3 -2,-0.5 -7,-0.1 -0.824 79.5 -4.1 -97.0 122.6 -0.8 6.2 -3.3 35 35 A Q T 3 S- 0 0 157 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.776 129.5 -64.0 70.1 21.7 -4.2 6.6 -5.0 36 36 A c T < S+ 0 0 19 -3,-0.6 -9,-4.0 1,-0.3 -10,-1.4 0.625 117.3 112.2 76.5 9.5 -5.7 4.2 -2.3 37 37 A K E < S-B 34 0B 92 -3,-1.3 -3,-1.6 -11,-0.3 -1,-0.3 -0.868 82.6 -89.9-115.9 150.2 -3.4 1.5 -3.7 38 38 A F E -B 33 0B 71 -2,-0.3 -5,-0.2 -5,-0.2 24,-0.1 -0.305 43.9-139.5 -55.7 130.6 -0.4 -0.2 -2.1 39 39 A S - 0 0 34 -7,-3.2 2,-0.3 22,-0.2 -7,-0.1 0.445 35.6 -76.2 -67.8-140.8 2.7 1.9 -3.0 40 40 A R - 0 0 208 1,-0.1 19,-0.7 20,-0.1 3,-0.3 -0.852 43.6 -98.2-123.5 161.3 6.0 -0.0 -3.8 41 41 A A E S+C 58 0C 55 17,-0.6 17,-0.3 -2,-0.3 16,-0.2 -0.187 104.0 48.3 -69.4 169.2 8.5 -1.8 -1.6 42 42 A G E S+ 0 0 52 15,-2.8 2,-0.9 1,-0.2 -1,-0.2 0.795 76.8 147.0 70.1 23.3 11.8 -0.0 -0.6 43 43 A K E -C 57 0C 99 14,-0.8 14,-2.3 -3,-0.3 2,-0.3 -0.789 52.5-129.3 -97.4 102.8 9.6 2.9 0.3 44 44 A I E +C 56 0C 70 -2,-0.9 12,-0.3 12,-0.3 3,-0.2 -0.264 35.7 169.5 -50.9 107.9 11.2 4.7 3.3 45 45 A f E S+ 0 0 19 10,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.698 71.3 11.7 -95.3 -22.2 8.3 5.0 5.8 46 46 A R E -C 55 0C 163 9,-1.1 9,-1.7 -3,-0.1 -1,-0.3 -0.887 64.5-154.9-157.4 122.1 10.5 6.1 8.7 47 47 A I - 0 0 108 -2,-0.3 2,-0.3 7,-0.2 7,-0.1 -0.873 16.1-149.9-104.3 111.4 14.2 7.3 8.7 48 48 A P - 0 0 45 0, 0.0 4,-0.4 0, 0.0 2,-0.3 -0.599 11.8-137.4 -79.0 131.8 15.9 6.7 12.1 49 49 A R S S+ 0 0 229 -2,-0.3 2,-0.6 2,-0.1 -2,-0.0 -0.684 72.6 31.9 -90.8 143.3 18.6 9.2 12.9 50 50 A G S S- 0 0 59 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.920 125.8 -29.8 119.9-110.6 21.9 8.0 14.4 51 51 A D S S+ 0 0 161 -2,-0.6 -2,-0.1 2,-0.1 -1,-0.1 -0.222 96.0 118.4-140.8 48.4 23.0 4.5 13.4 52 52 A M - 0 0 132 -4,-0.4 -2,-0.1 1,-0.1 2,-0.1 -0.724 64.9 -98.0-113.7 166.7 19.8 2.5 12.7 53 53 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.367 39.5-108.7 -77.9 157.8 18.5 0.9 9.5 54 54 A D - 0 0 84 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.759 26.6-134.3 -92.2 130.8 16.0 2.6 7.2 55 55 A D E -C 46 0C 29 -9,-1.7 -10,-1.9 -2,-0.5 -9,-1.1 -0.660 28.9-179.8 -83.6 132.8 12.4 1.2 7.3 56 56 A R E -C 44 0C 143 -2,-0.4 -12,-0.3 -12,-0.3 -14,-0.2 -0.989 31.1-105.5-135.0 143.7 10.9 0.8 3.8 57 57 A e E -C 43 0C 2 -14,-2.3 -15,-2.8 -2,-0.4 -14,-0.8 -0.190 22.3-133.7 -59.5 159.2 7.5 -0.5 2.6 58 58 A T E -C 41 0C 65 -17,-0.3 -17,-0.6 3,-0.2 -1,-0.1 0.435 38.5-116.0 -95.1 0.1 7.5 -4.0 1.1 59 59 A G S S+ 0 0 18 -19,-0.7 -18,-0.1 2,-0.4 -2,-0.1 0.139 110.7 61.2 87.7 -24.5 5.3 -2.9 -1.8 60 60 A Q S S+ 0 0 157 -20,-0.1 2,-0.5 1,-0.1 -22,-0.1 0.569 90.4 74.2-109.0 -13.5 2.5 -5.2 -0.7 61 61 A S - 0 0 49 1,-0.2 -2,-0.4 -23,-0.0 -3,-0.2 -0.862 57.6-164.4-104.5 131.8 1.9 -3.6 2.8 62 62 A A S S+ 0 0 5 -2,-0.5 -30,-1.5 -36,-0.1 -1,-0.2 0.927 77.7 61.1 -77.9 -44.5 0.1 -0.3 3.1 63 63 A D S S- 0 0 111 -33,-0.2 -33,-0.1 -32,-0.2 -18,-0.0 -0.465 98.7-105.8 -79.4 155.0 1.1 0.4 6.7 64 64 A f - 0 0 20 -2,-0.1 -7,-0.1 -7,-0.1 -1,-0.1 -0.734 37.3-157.3 -87.0 122.3 4.8 0.6 7.4 65 65 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.151 10.6-123.4 -78.0-162.3 6.1 -2.5 9.2 66 66 A R - 0 0 179 2,-0.1 2,-0.1 -11,-0.1 -10,-0.1 -0.763 15.0-112.7-137.0-176.0 9.3 -2.7 11.4 67 67 A Y 0 0 213 -2,-0.2 -12,-0.0 -14,-0.1 0, 0.0 -0.419 360.0 360.0-120.5 58.9 12.6 -4.6 11.5 68 68 A H 0 0 249 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.720 360.0 360.0-123.5 360.0 12.1 -6.7 14.7