==== 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 2PJG . COMPND 2 MOLECULE: RHODOSTOXIN-DISINTEGRIN RHODOSTOMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA; . AUTHOR W.J.CHUANG,Y.C.CHEN,C.Y.CHEN,L.J.CHOU . 68 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 42.6 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 . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.4 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 . 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 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.6 -9.3 -10.5 5.0 2 2 A K + 0 0 171 1,-0.1 3,-0.1 18,-0.0 18,-0.1 0.049 360.0 72.4-122.2 25.4 -12.8 -9.6 3.7 3 3 A E S S+ 0 0 152 1,-0.2 2,-0.2 16,-0.1 -1,-0.1 0.575 110.0 16.0-113.3 -16.0 -14.3 -8.3 7.0 4 4 A a + 0 0 46 1,-0.0 16,-0.3 16,-0.0 -1,-0.2 -0.594 52.2 166.8-159.7 92.4 -12.5 -4.9 7.2 5 5 A D S S+ 0 0 97 14,-0.3 23,-0.8 -2,-0.2 24,-0.4 0.171 76.7 49.7 -92.8 20.4 -10.6 -3.5 4.2 6 6 A b - 0 0 4 13,-1.5 -1,-0.1 22,-0.1 24,-0.0 -0.937 53.7-171.6-157.5 130.8 -10.3 -0.1 6.0 7 7 A S + 0 0 97 -2,-0.3 -1,-0.1 -3,-0.0 13,-0.1 0.566 62.3 101.5-100.8 -9.9 -9.2 0.7 9.6 8 8 A S > - 0 0 53 1,-0.2 3,-0.7 11,-0.1 6,-0.1 -0.664 53.0-166.9 -79.5 114.2 -10.2 4.4 9.4 9 9 A P T 3 S+ 0 0 113 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.429 90.5 44.5 -78.9 0.5 -13.5 4.7 11.4 10 10 A E T 3 S+ 0 0 176 5,-0.1 -2,-0.1 6,-0.1 5,-0.0 0.351 82.1 119.5-123.5 1.4 -14.0 8.2 9.9 11 11 A N X - 0 0 49 -3,-0.7 3,-0.9 1,-0.1 5,-0.1 -0.554 54.8-150.8 -73.0 130.5 -13.1 7.4 6.3 12 12 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.438 93.3 63.8 -79.3 -0.7 -16.0 8.2 3.9 13 13 A c T 3 S+ 0 0 22 15,-0.2 9,-1.0 1,-0.2 2,-0.4 0.555 104.6 45.5 -99.6 -9.5 -14.7 5.5 1.5 14 14 A b E < S-A 21 0A 7 -3,-0.9 7,-0.3 7,-0.3 2,-0.3 -0.992 81.2-126.0-136.8 133.9 -15.2 2.6 4.0 15 15 A D E >> -A 20 0A 56 5,-1.8 4,-1.7 -2,-0.4 5,-0.8 -0.566 11.5-153.9 -76.9 135.6 -18.2 1.8 6.2 16 16 A A T 45S+ 0 0 60 -2,-0.3 -1,-0.2 2,-0.2 -10,-0.1 0.929 92.6 62.9 -76.1 -44.5 -17.3 1.4 9.9 17 17 A A T 45S+ 0 0 95 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.829 125.7 20.3 -50.4 -27.2 -20.2 -0.9 10.7 18 18 A T T 45S- 0 0 56 2,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.561 96.0-138.0-116.1 -16.6 -18.5 -3.3 8.2 19 19 A a T <5S+ 0 0 39 -4,-1.7 -13,-1.5 1,-0.2 -14,-0.3 0.730 72.7 99.8 66.4 16.7 -15.0 -1.8 8.3 20 20 A K E - 0 0 21 -2,-0.3 3,-1.0 3,-0.2 33,-0.2 -0.852 61.0 -95.4 161.1 162.8 -3.5 2.4 1.2 31 31 A L T 3 S+ 0 0 89 1,-0.3 32,-0.2 -2,-0.2 -1,-0.1 0.811 125.6 36.0 -72.5 -27.5 -0.1 3.7 0.0 32 32 A e T 3 S+ 0 0 0 30,-4.0 7,-2.8 -3,-0.1 2,-0.7 -0.192 87.7 120.5-117.4 42.7 -1.0 3.1 -3.6 33 33 A d B < -B 38 0B 29 -3,-1.0 2,-1.0 5,-0.2 3,-0.4 -0.893 43.1-165.2-110.0 111.4 -4.7 4.0 -3.5 34 34 A E S S- 0 0 91 3,-2.1 3,-0.2 -2,-0.7 -7,-0.0 -0.779 80.6 -20.9 -97.1 100.9 -5.7 6.9 -5.8 35 35 A Q S S- 0 0 172 -2,-1.0 -1,-0.2 1,-0.2 -8,-0.1 0.928 127.1 -52.1 70.3 42.1 -9.1 8.2 -4.7 36 36 A c S S+ 0 0 25 -3,-0.4 -9,-2.3 1,-0.2 -10,-1.1 0.722 120.8 114.5 66.7 16.6 -9.9 4.9 -2.9 37 37 A K S S- 0 0 104 -11,-0.2 -3,-2.1 -12,-0.2 2,-0.6 -0.859 81.5 -95.3-118.2 154.9 -9.0 3.1 -6.2 38 38 A F B -B 33 0B 67 -2,-0.3 -5,-0.2 -5,-0.2 24,-0.1 -0.521 44.3-136.3 -68.9 112.8 -6.1 0.8 -6.9 39 39 A S - 0 0 4 -7,-2.8 2,-0.3 -2,-0.6 22,-0.1 0.105 28.6 -95.5 -54.9-176.0 -3.3 3.0 -8.4 40 40 A R - 0 0 188 1,-0.2 19,-0.6 20,-0.1 17,-0.1 -0.776 42.6 -90.1-106.9 153.8 -1.5 1.6 -11.4 41 41 A A E S+C 58 0C 61 17,-0.8 17,-0.3 -2,-0.3 -1,-0.2 0.091 109.1 59.2 -47.9 174.2 1.8 -0.3 -11.4 42 42 A G E S+ 0 0 57 15,-1.0 2,-0.7 1,-0.2 -1,-0.2 0.827 76.4 141.1 70.4 25.5 4.9 1.9 -11.6 43 43 A K E -C 57 0C 86 14,-1.2 14,-4.4 -4,-0.1 2,-0.4 -0.878 49.3-140.5-107.0 113.0 3.8 3.6 -8.5 44 44 A I E +C 56 0C 72 -2,-0.7 12,-0.3 12,-0.3 3,-0.1 -0.537 30.5 165.1 -70.5 122.4 6.5 4.5 -6.0 45 45 A f E + 0 0 21 10,-3.8 2,-0.3 -2,-0.4 -1,-0.2 0.601 64.1 27.8-113.2 -18.4 5.2 3.8 -2.5 46 46 A R E -C 55 0C 122 9,-0.9 9,-1.8 20,-0.0 -1,-0.3 -0.999 66.7-145.8-144.1 145.8 8.5 3.9 -0.5 47 47 A I - 0 0 143 -2,-0.3 2,-0.2 7,-0.2 7,-0.1 -0.949 15.2-136.7-117.6 132.1 11.8 5.7 -1.0 48 48 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 6,-0.1 -0.490 11.4-153.3 -80.8 150.1 15.2 4.2 0.0 49 49 A R S S+ 0 0 246 -2,-0.2 2,-0.3 2,-0.1 -2,-0.0 -0.885 72.6 1.9-129.7 104.4 17.8 6.3 1.8 50 50 A G S S- 0 0 80 -2,-0.5 0, 0.0 2,-0.1 0, 0.0 -0.580 135.3 -15.8 124.2 -71.6 21.5 5.4 1.4 51 51 A E S S+ 0 0 176 -2,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.272 93.3 115.8-166.4 69.2 21.6 2.3 -1.0 52 52 A M - 0 0 96 16,-0.0 -2,-0.1 15,-0.0 2,-0.1 -0.958 61.2-101.5-140.5 159.5 18.2 0.5 -1.5 53 53 A P - 0 0 61 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.393 41.7-109.0 -76.9 153.9 15.8 -0.1 -4.3 54 54 A D - 0 0 62 -7,-0.1 2,-0.7 -2,-0.1 -7,-0.2 -0.272 26.7-116.3 -78.0 171.0 12.6 1.9 -4.6 55 55 A D E -C 46 0C 13 -9,-1.8 -10,-3.8 12,-0.1 -9,-0.9 -0.895 30.9-175.1-113.8 107.0 9.1 0.5 -3.9 56 56 A R E -C 44 0C 137 -2,-0.7 -12,-0.3 -12,-0.3 -14,-0.1 -0.875 21.5-133.4-104.3 119.7 6.9 0.4 -7.0 57 57 A e E -C 43 0C 2 -14,-4.4 -14,-1.2 -2,-0.6 -15,-1.0 -0.334 15.0-128.3 -65.4 151.4 3.3 -0.7 -6.4 58 58 A T E -C 41 0C 80 -17,-0.3 2,-1.8 -16,-0.1 -17,-0.8 0.341 39.6-118.8 -83.8 10.4 2.0 -3.3 -9.0 59 59 A G S S+ 0 0 5 -19,-0.6 -1,-0.1 2,-0.3 -2,-0.1 -0.288 111.2 65.8 84.4 -56.1 -1.0 -1.0 -9.6 60 60 A Q S S+ 0 0 163 -2,-1.8 2,-0.7 -22,-0.1 -1,-0.2 0.541 87.1 86.5 -76.1 -2.1 -3.4 -3.8 -8.5 61 61 A S - 0 0 36 1,-0.2 -2,-0.3 -22,-0.1 -22,-0.2 -0.859 56.3-173.5-102.3 117.3 -1.9 -3.4 -5.0 62 62 A A S S+ 0 0 13 -2,-0.7 -30,-4.0 -24,-0.1 -1,-0.2 0.983 74.2 45.3 -72.0 -56.8 -3.5 -0.7 -2.8 63 63 A D S S- 0 0 86 -33,-0.2 -33,-0.1 -32,-0.2 -18,-0.0 -0.333 93.3-112.1 -80.3 168.5 -1.0 -0.9 0.1 64 64 A f - 0 0 14 -19,-0.1 -7,-0.1 -7,-0.1 -1,-0.1 -0.912 27.7-160.4-110.0 125.7 2.7 -1.1 -0.5 65 65 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.216 28.2 -90.3 -79.1-156.7 4.7 -4.3 0.3 66 66 A R - 0 0 209 1,-0.1 -20,-0.0 -11,-0.0 -11,-0.0 -0.722 27.6-172.8-118.2 170.7 8.4 -4.5 0.9 67 67 A Y 0 0 165 1,-0.4 -1,-0.1 -2,-0.2 -13,-0.1 0.568 360.0 360.0-126.8 -71.9 11.4 -5.2 -1.4 68 68 A H 0 0 193 -15,-0.2 -1,-0.4 0, 0.0 -16,-0.0 -0.627 360.0 360.0 -73.9 360.0 14.8 -5.6 0.2