==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-11 2LJV . COMPND 2 MOLECULE: DISINTEGRIN RHODOSTOMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA; . AUTHOR W.CHUANG,J.SHIU,C.CHEN,Y.CHEN,Y.CHANG,C.HUANG . 68 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 47.1 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 . 11 16.2 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 . 8 11.8 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 . 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+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 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 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 0 104 0, 0.0 2,-0.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 51.7 -9.9 34.2 -4.1 2 2 A K - 0 0 191 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.568 360.0-167.1 -72.5 113.2 -6.2 32.9 -4.0 3 3 A E S S+ 0 0 125 -2,-0.7 2,-1.1 1,-0.1 -1,-0.2 0.644 72.1 82.8 -76.2 -10.5 -4.3 35.5 -6.1 4 4 A a + 0 0 74 1,-0.2 16,-0.3 16,-0.1 15,-0.2 -0.721 46.3 163.1 -95.6 93.6 -1.3 33.0 -6.1 5 5 A D S S+ 0 0 73 -2,-1.1 23,-1.4 14,-0.8 24,-0.7 0.330 72.4 25.6 -90.1 10.5 -2.1 30.6 -9.0 6 6 A b - 0 0 10 13,-1.6 24,-0.0 22,-0.2 9,-0.0 -0.984 61.1-149.9-161.3 163.0 1.5 29.5 -8.9 7 7 A S + 0 0 105 -2,-0.3 9,-0.1 7,-0.0 23,-0.0 -0.216 54.7 115.3-137.1 48.9 4.5 29.3 -6.5 8 8 A S > - 0 0 24 1,-0.1 3,-0.9 3,-0.1 8,-0.1 -0.971 47.9-158.7-125.0 123.9 7.7 29.7 -8.6 9 9 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.333 97.4 38.9 -78.2 7.5 10.0 32.7 -8.2 10 10 A E T 3 S+ 0 0 178 5,-0.0 5,-0.1 6,-0.0 0, 0.0 -0.139 85.6 120.8-149.9 45.5 11.4 32.0 -11.7 11 11 A N < - 0 0 49 -3,-0.9 5,-0.2 3,-0.5 -3,-0.1 -0.934 46.8-156.0-117.8 140.2 8.4 31.0 -13.9 12 12 A P S S+ 0 0 104 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 0.887 96.0 54.5 -77.9 -43.6 7.2 32.7 -17.1 13 13 A c S S+ 0 0 28 15,-0.1 9,-2.0 1,-0.1 2,-0.4 0.832 118.5 37.4 -62.8 -27.9 3.6 31.4 -16.9 14 14 A b E S-A 21 0A 0 7,-0.3 2,-0.5 14,-0.2 -3,-0.5 -0.975 76.5-139.6-129.8 139.1 3.4 32.9 -13.3 15 15 A D E > -A 20 0A 84 5,-1.1 5,-1.0 -2,-0.4 4,-0.4 -0.800 5.7-151.4 -94.9 127.0 4.8 36.1 -11.9 16 16 A A T 5S+ 0 0 59 -2,-0.5 3,-0.4 1,-0.2 -1,-0.2 0.867 93.3 70.0 -65.3 -32.7 6.3 35.7 -8.4 17 17 A A T 5S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.947 124.5 11.1 -50.4 -48.9 5.5 39.4 -7.7 18 18 A T T 5S- 0 0 83 -3,-0.3 -13,-0.3 2,-0.1 -1,-0.3 0.172 96.3-133.8-114.2 16.7 1.8 38.5 -7.7 19 19 A a T 5S+ 0 0 30 -3,-0.4 -13,-1.6 -4,-0.4 -14,-0.8 0.758 74.1 109.4 38.1 26.0 2.3 34.7 -7.6 20 20 A K E < -A 15 0A 98 -5,-1.0 -5,-1.1 -16,-0.3 2,-0.3 -0.232 64.1-110.6-110.6-157.5 -0.3 34.7 -10.4 21 21 A L E -A 14 0A 24 -7,-0.3 -7,-0.3 -3,-0.1 -8,-0.1 -0.850 21.6-100.6-132.6 175.6 -0.2 33.9 -14.1 22 22 A R > - 0 0 191 -9,-2.0 2,-4.2 -2,-0.3 3,-1.4 -0.845 46.1-110.4 -96.5 127.2 -0.5 35.4 -17.5 23 23 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.181 101.7 84.8 -56.2 63.3 -3.9 34.7 -19.0 24 24 A G T 3 S+ 0 0 61 -2,-4.2 -11,-0.1 -11,-0.2 2,-0.1 0.528 92.6 22.6-133.6 -42.0 -2.3 32.4 -21.5 25 25 A A S < S- 0 0 28 -3,-1.4 12,-0.2 -12,-0.2 11,-0.1 0.019 79.8-115.0-106.7-142.8 -2.0 29.0 -19.8 26 26 A Q S S+ 0 0 98 10,-4.0 2,-0.3 1,-0.5 11,-0.2 0.578 83.8 7.8-131.2 -32.6 -4.0 27.6 -16.8 27 27 A d - 0 0 2 9,-3.3 -1,-0.5 1,-0.1 -21,-0.2 -0.957 45.6-150.6-146.3 166.8 -1.5 27.2 -14.0 28 28 A G S S+ 0 0 7 -23,-1.4 2,-0.3 1,-0.4 -22,-0.2 0.712 86.2 8.9-109.3 -34.0 2.2 28.0 -13.1 29 29 A E S S+ 0 0 90 -24,-0.7 -1,-0.4 7,-0.1 2,-0.2 -0.968 77.2 107.7-142.8 158.8 2.9 25.1 -10.8 30 30 A G > - 0 0 29 -2,-0.3 3,-0.6 3,-0.1 33,-0.2 -0.674 61.7-108.7 147.4 157.4 1.1 21.9 -9.7 31 31 A L T 3 S+ 0 0 58 1,-0.2 32,-0.3 -2,-0.2 2,-0.2 0.923 117.6 45.1 -80.4 -45.8 1.2 18.1 -10.2 32 32 A e T 3 S+ 0 0 0 30,-1.1 7,-3.8 1,-0.1 2,-0.3 -0.064 104.2 79.8 -88.1 37.7 -1.9 17.8 -12.4 33 33 A d E < +B 38 0B 9 -3,-0.6 2,-0.3 5,-0.3 3,-0.3 -0.867 54.3 172.9-146.8 109.5 -0.7 20.8 -14.5 34 34 A E E > +B 37 0B 98 3,-1.3 3,-2.3 -2,-0.3 -7,-0.1 -0.884 69.8 14.6-117.4 149.1 1.9 20.5 -17.2 35 35 A Q T 3 S- 0 0 140 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.864 132.6 -64.5 60.4 30.3 3.0 23.1 -19.7 36 36 A c T 3 S+ 0 0 27 -3,-0.3 -10,-4.0 1,-0.3 -9,-3.3 0.626 122.0 105.5 67.9 8.2 1.2 25.6 -17.4 37 37 A K E < S-B 34 0B 101 -3,-2.3 -3,-1.3 -11,-0.2 -1,-0.3 -0.797 80.9 -95.3-116.7 161.1 -1.9 23.7 -18.4 38 38 A F E -B 33 0B 65 -5,-0.3 -5,-0.3 -2,-0.3 2,-0.2 -0.357 41.7-111.7 -71.3 155.8 -4.0 21.2 -16.4 39 39 A S - 0 0 8 -7,-3.8 4,-0.2 22,-0.7 22,-0.1 -0.579 38.8 -96.8 -86.0 151.0 -3.3 17.5 -16.8 40 40 A R > - 0 0 192 -2,-0.2 3,-0.6 1,-0.1 19,-0.5 -0.114 54.4 -81.5 -59.3 165.4 -6.0 15.4 -18.5 41 41 A A T 3 S+ 0 0 70 17,-0.3 17,-0.2 1,-0.2 18,-0.1 -0.235 116.6 39.0 -65.6 160.0 -8.4 13.4 -16.2 42 42 A G T 3 S+ 0 0 39 15,-2.5 2,-0.7 1,-0.2 -1,-0.2 0.780 79.0 159.8 71.1 22.9 -7.1 10.1 -14.7 43 43 A K E < -C 57 0C 78 14,-1.0 14,-3.1 -3,-0.6 2,-0.3 -0.681 43.0-127.7 -82.5 114.4 -3.7 11.8 -14.3 44 44 A I E +C 56 0C 66 -2,-0.7 12,-0.3 12,-0.3 3,-0.1 -0.425 39.9 163.4 -62.2 118.1 -1.8 9.7 -11.7 45 45 A f E + 0 0 8 10,-2.9 2,-0.3 -2,-0.3 -1,-0.2 0.495 65.0 21.4-113.9 -9.0 -0.6 12.3 -9.1 46 46 A R E -C 55 0C 94 9,-1.4 9,-1.8 20,-0.0 -1,-0.3 -0.971 55.0-172.7-159.8 141.7 0.2 9.8 -6.2 47 47 A I + 0 0 85 -2,-0.3 7,-0.1 7,-0.2 -3,-0.0 -0.906 5.3 178.5-142.1 110.6 1.0 6.1 -5.9 48 48 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.853 34.5-119.9 -76.8-103.3 1.3 4.5 -2.5 49 49 A R S S+ 0 0 221 1,-0.0 3,-0.1 0, 0.0 5,-0.0 0.204 75.4 89.7-176.0 -38.0 2.1 0.7 -2.6 50 50 A L S S- 0 0 94 1,-0.1 2,-1.1 0, 0.0 -1,-0.0 0.093 97.3 -71.4 -64.1-172.1 -0.7 -1.3 -0.9 51 51 A D S S+ 0 0 148 -3,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.716 87.6 111.9 -88.4 101.5 -3.8 -2.5 -2.9 52 52 A M S S- 0 0 111 -2,-1.1 2,-0.7 -3,-0.1 3,-0.0 -0.962 75.1 -72.5-158.5 172.9 -5.8 0.6 -3.6 53 53 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.627 55.5-120.0 -76.7 111.4 -7.0 2.9 -6.4 54 54 A D - 0 0 69 -2,-0.7 2,-0.7 1,-0.1 -7,-0.2 -0.097 33.7-100.3 -48.0 149.4 -4.0 5.0 -7.5 55 55 A D E +C 46 0C 25 -9,-1.8 -10,-2.9 -3,-0.0 -9,-1.4 -0.642 49.4 179.8 -78.6 116.3 -4.5 8.8 -7.0 56 56 A R E -C 44 0C 120 -2,-0.7 -12,-0.3 -12,-0.3 2,-0.1 -0.897 27.8-114.2-117.9 147.8 -5.5 10.3 -10.4 57 57 A e E -C 43 0C 4 -14,-3.1 -15,-2.5 -2,-0.4 -14,-1.0 -0.465 21.4-123.3 -77.6 151.7 -6.3 13.9 -11.2 58 58 A T - 0 0 96 -17,-0.2 -17,-0.3 -16,-0.2 -1,-0.1 0.596 44.6-118.2 -69.8 -6.6 -9.8 14.8 -12.2 59 59 A G S S+ 0 0 14 -19,-0.5 -18,-0.2 2,-0.2 -1,-0.1 0.041 109.1 63.8 92.4 -29.6 -8.2 16.3 -15.4 60 60 A Q S S+ 0 0 161 -20,-0.1 2,-0.2 -22,-0.1 -20,-0.1 0.632 83.4 88.6-100.0 -16.9 -9.5 19.8 -14.5 61 61 A S - 0 0 38 1,-0.1 -22,-0.7 -22,-0.1 -2,-0.2 -0.575 62.1-156.1 -81.8 144.5 -7.5 20.1 -11.2 62 62 A A S S+ 0 0 16 -2,-0.2 -30,-1.1 -24,-0.2 2,-0.2 0.902 78.5 29.6 -86.4 -44.6 -4.0 21.6 -11.5 63 63 A D S S- 0 0 95 -32,-0.3 -33,-0.0 -33,-0.2 -18,-0.0 -0.571 88.4-108.1-107.3 174.7 -2.5 20.0 -8.3 64 64 A f - 0 0 16 -2,-0.2 -7,-0.1 -19,-0.1 -9,-0.0 -0.920 28.5-161.1-111.5 125.0 -3.4 16.7 -6.6 65 65 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.190 23.8-107.8 -79.3-158.2 -5.3 16.7 -3.3 66 66 A R + 0 0 198 -11,-0.0 2,-0.3 -20,-0.0 -2,-0.0 -0.870 41.0 162.3-143.7 108.5 -5.4 13.8 -0.9 67 67 A Y 0 0 115 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.941 360.0 360.0-126.5 149.5 -8.6 11.7 -0.4 68 68 A H 0 0 215 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.856 360.0 360.0 71.9 360.0 -9.0 8.2 1.2