==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 27-OCT-11 3UCI . COMPND 2 MOLECULE: DISINTEGRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLOSELASMA RHODOSTOMA; . AUTHOR J.H.SHIU,C.Y.CHEN,Y.C.CHEN,Y.T.CHANG,Y.S.CHANG,C.H.HUANG,W.J . 72 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 36.1 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 . 9 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1.4 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-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 . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 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 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 -4 A E 0 0 233 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 -14.0 -28.0 -18.3 2 -3 A A - 0 0 60 1,-0.1 2,-0.8 2,-0.0 3,-0.1 -0.300 360.0-130.9 -65.6 145.4 -11.6 -26.1 -16.1 3 -2 A E > - 0 0 152 1,-0.1 3,-0.7 2,-0.0 4,-0.2 -0.876 25.7-179.3 -97.1 99.9 -12.1 -22.5 -15.3 4 -1 A F G > + 0 0 142 -2,-0.8 3,-1.9 1,-0.2 4,-0.3 0.739 63.8 81.1 -69.9 -23.5 -8.6 -21.0 -16.0 5 1 A G G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.755 81.2 61.8 -60.4 -31.8 -9.5 -17.5 -15.0 6 2 A K G < S+ 0 0 185 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.649 101.1 55.6 -71.1 -14.4 -9.2 -17.9 -11.3 7 3 A E G < S+ 0 0 111 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.429 82.5 122.5 -93.4 -2.5 -5.6 -18.7 -11.8 8 4 A a < - 0 0 38 -3,-1.2 16,-0.2 -4,-0.3 3,-0.2 -0.377 47.3-164.5 -66.9 137.1 -4.6 -15.5 -13.6 9 5 A D S S+ 0 0 68 14,-2.6 2,-0.4 1,-0.3 23,-0.2 0.760 93.6 26.9 -73.0 -38.0 -2.0 -13.1 -12.5 10 6 A b - 0 0 2 13,-1.5 -1,-0.3 9,-0.1 5,-0.1 -0.988 69.8-157.4-127.6 123.9 -3.5 -10.6 -15.0 11 7 A S S S+ 0 0 103 -2,-0.4 -1,-0.1 -3,-0.2 -3,-0.0 0.813 75.1 73.0 -68.0 -32.3 -7.0 -10.8 -15.9 12 8 A S S > S- 0 0 51 1,-0.1 3,-1.6 11,-0.0 6,-0.2 -0.745 70.6-146.5 -89.8 131.3 -6.6 -9.0 -19.2 13 9 A P T 3 S+ 0 0 82 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 0.651 99.5 61.4 -66.3 -15.0 -5.0 -10.7 -22.1 14 10 A E T 3 S+ 0 0 158 5,-0.1 6,-0.0 6,-0.1 -3,-0.0 0.437 71.5 116.0 -91.3 -0.7 -3.6 -7.3 -23.1 15 11 A N X - 0 0 35 -3,-1.6 3,-1.4 1,-0.2 8,-0.1 -0.550 58.3-151.1 -71.4 121.5 -1.6 -6.8 -19.9 16 12 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.634 89.6 68.8 -69.7 -16.1 2.0 -6.6 -21.0 17 13 A c T 3 S+ 0 0 11 15,-0.1 9,-2.4 8,-0.1 2,-0.2 0.620 101.8 51.5 -74.3 -18.9 3.2 -8.0 -17.7 18 14 A b B < S-A 25 0A 9 -3,-1.4 2,-0.5 7,-0.3 7,-0.2 -0.755 87.2-109.4-116.6 162.3 1.6 -11.4 -18.5 19 15 A D > - 0 0 70 5,-2.3 4,-2.1 -2,-0.2 3,-0.5 -0.825 25.6-141.4 -87.2 127.0 1.7 -13.9 -21.2 20 16 A A T 4 S+ 0 0 64 -2,-0.5 -1,-0.1 1,-0.2 -6,-0.1 0.854 97.2 58.6 -60.1 -36.8 -1.7 -13.9 -23.0 21 17 A A T 4 S+ 0 0 90 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.842 124.3 17.7 -62.9 -39.1 -1.7 -17.7 -23.4 22 18 A T T 4 S- 0 0 75 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.552 89.6-132.4-105.4 -16.6 -1.4 -18.5 -19.7 23 19 A a < + 0 0 22 -4,-2.1 -14,-2.6 1,-0.2 -13,-1.5 0.675 67.8 125.4 54.8 28.0 -2.4 -15.2 -18.0 24 20 A K S S- 0 0 82 -5,-0.4 -5,-2.3 -16,-0.2 -1,-0.2 -0.748 71.0 -82.1-109.7 156.4 0.6 -15.6 -15.8 25 21 A L B -A 18 0A 53 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.223 44.7-122.5 -59.2 137.8 3.5 -13.2 -15.3 26 22 A R > - 0 0 134 -9,-2.4 3,-2.3 1,-0.2 -1,-0.1 -0.323 47.0 -69.9 -72.9 161.5 6.2 -13.1 -17.9 27 23 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.333 126.0 16.9 -57.8 126.9 9.9 -13.7 -17.0 28 24 A G T 3 S+ 0 0 50 1,-0.3 2,-0.4 -3,-0.1 -2,-0.0 0.123 95.9 120.6 90.8 -15.3 11.0 -10.8 -15.0 29 25 A A < + 0 0 18 -3,-2.3 -1,-0.3 1,-0.1 12,-0.2 -0.680 34.0 178.3 -81.0 129.8 7.6 -9.5 -14.1 30 26 A Q - 0 0 90 10,-2.7 2,-0.3 -2,-0.4 11,-0.2 0.584 68.1 -2.0 -97.2 -21.2 6.8 -9.4 -10.4 31 27 A d - 0 0 8 9,-1.2 -1,-0.3 34,-0.1 3,-0.1 -0.978 42.5-155.7-162.4 162.5 3.3 -8.0 -10.7 32 28 A G S S+ 0 0 19 1,-0.3 2,-0.3 -2,-0.3 -15,-0.1 0.328 80.5 17.5-127.4 2.3 0.7 -6.7 -13.2 33 29 A E S S+ 0 0 130 -16,-0.1 -1,-0.3 5,-0.0 3,-0.1 -0.959 74.0 86.9-162.2 161.3 -1.4 -4.4 -11.0 34 30 A G S > S- 0 0 33 -2,-0.3 3,-1.6 3,-0.1 33,-0.2 -0.229 73.7 -86.1 121.4 158.4 -1.3 -2.5 -7.8 35 31 A L T 3 S+ 0 0 106 1,-0.3 32,-0.2 -2,-0.1 -1,-0.1 0.732 127.3 46.4 -61.9 -27.5 -0.3 0.7 -6.1 36 32 A e T 3 S+ 0 0 0 30,-2.6 7,-2.5 -3,-0.1 2,-0.4 -0.084 94.7 95.2-109.0 29.0 3.2 -0.7 -5.5 37 33 A d E < +B 42 0B 24 -3,-1.6 2,-0.4 29,-0.3 5,-0.2 -0.985 45.7 174.7-118.5 131.9 3.6 -2.0 -9.1 38 34 A E E > S-B 41 0B 101 3,-2.8 3,-1.5 -2,-0.4 -7,-0.0 -0.967 71.9 -18.1-140.3 119.9 5.4 -0.0 -11.8 39 35 A Q T 3 S- 0 0 190 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.883 128.4 -51.4 49.4 46.2 6.1 -1.4 -15.2 40 36 A c T 3 S+ 0 0 25 1,-0.2 -10,-2.7 -11,-0.1 -9,-1.2 0.532 120.0 101.9 75.3 10.8 5.6 -5.0 -14.0 41 37 A K E < S-B 38 0B 101 -3,-1.5 -3,-2.8 -11,-0.2 -1,-0.2 -0.910 79.4 -99.2-124.1 152.2 8.0 -4.6 -11.1 42 38 A F E -B 37 0B 52 -2,-0.3 -5,-0.2 -5,-0.2 24,-0.1 -0.473 46.6-111.7 -64.6 134.0 7.6 -4.1 -7.4 43 39 A S - 0 0 2 -7,-2.5 22,-0.2 22,-0.3 20,-0.2 -0.211 44.7 -82.2 -62.7 156.1 8.1 -0.4 -6.4 44 40 A R > - 0 0 211 1,-0.1 3,-2.3 2,-0.1 19,-0.3 -0.301 54.4 -92.6 -61.3 141.5 11.2 0.4 -4.3 45 41 A A T 3 S+ 0 0 66 17,-0.3 17,-0.2 1,-0.3 -1,-0.1 -0.296 113.9 25.2 -57.2 131.0 11.0 -0.1 -0.6 46 42 A G T 3 S+ 0 0 41 15,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.288 79.5 145.7 92.9 -5.2 9.8 3.0 1.0 47 43 A K < - 0 0 82 -3,-2.3 14,-2.7 14,-0.1 -1,-0.3 -0.435 56.5-115.7 -64.2 128.8 8.0 4.5 -1.9 48 44 A I E +C 60 0C 85 12,-0.2 12,-0.3 -2,-0.2 3,-0.1 -0.487 45.8 162.7 -70.7 130.3 5.0 6.4 -0.5 49 45 A f E + 0 0 21 10,-2.6 2,-0.3 1,-0.3 11,-0.2 0.525 60.6 30.1-128.1 -13.8 1.8 4.8 -1.7 50 46 A R E S-C 59 0C 51 9,-1.4 9,-2.3 19,-0.0 -1,-0.3 -0.915 75.9-124.3-148.5 131.0 -1.0 6.0 0.6 51 47 A I - 0 0 131 -2,-0.3 2,-0.1 7,-0.2 7,-0.1 -0.491 33.4-167.8 -77.7 128.8 -1.2 9.4 2.4 52 48 A A - 0 0 35 -2,-0.2 6,-0.1 1,-0.2 -1,-0.1 -0.250 30.3 -59.6-101.4-169.2 -1.6 9.1 6.2 53 49 A R > - 0 0 207 4,-0.2 3,-1.8 -2,-0.1 -1,-0.2 -0.331 56.6-101.3 -74.0 161.3 -2.5 11.4 9.1 54 50 A L T 3 S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.755 118.6 48.1 -60.9 -34.4 -0.4 14.4 10.0 55 51 A D T 3 S+ 0 0 162 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.501 106.1 75.7 -84.4 -4.4 1.6 12.9 12.8 56 52 A D S < S- 0 0 100 -3,-1.8 -4,-0.2 1,-0.0 2,-0.2 -0.683 82.2-109.2-110.6 156.8 2.4 9.7 10.9 57 53 A L - 0 0 126 -2,-0.2 -4,-0.2 1,-0.1 3,-0.1 -0.534 48.7-106.7 -68.2 149.5 4.6 8.5 8.2 58 54 A D - 0 0 40 -2,-0.2 -7,-0.2 -6,-0.1 2,-0.2 -0.323 42.4 -86.8 -70.3 159.1 2.7 7.7 5.1 59 55 A D E -C 50 0C 34 -9,-2.3 -10,-2.6 -3,-0.1 -9,-1.4 -0.541 54.6-160.9 -68.0 139.3 2.1 4.1 4.0 60 56 A R E -C 48 0C 120 -12,-0.3 -12,-0.2 -2,-0.2 -13,-0.1 -0.933 19.9-102.8-130.4 148.6 5.0 2.9 2.0 61 57 A e - 0 0 4 -14,-2.7 -15,-3.0 -2,-0.3 -14,-0.1 -0.355 21.6-145.8 -66.7 147.2 5.8 0.1 -0.4 62 58 A T - 0 0 63 5,-0.4 -17,-0.3 -17,-0.2 -1,-0.1 0.641 30.0-122.8 -87.6 -20.2 7.8 -2.9 0.9 63 59 A G S S+ 0 0 23 2,-0.4 -21,-0.1 -19,-0.3 -18,-0.1 0.297 102.7 67.1 88.4 -8.8 9.8 -3.7 -2.2 64 60 A Q S S+ 0 0 150 -20,-0.1 2,-0.3 1,-0.1 -20,-0.1 0.163 95.3 48.8-122.4 10.1 8.3 -7.2 -2.1 65 61 A S - 0 0 43 -22,-0.2 -2,-0.4 -29,-0.1 -22,-0.3 -0.983 64.4-137.6-149.5 155.4 4.7 -6.7 -2.8 66 62 A A S S+ 0 0 13 -2,-0.3 -30,-2.6 -24,-0.1 -29,-0.3 0.488 82.3 79.1 -92.7 -10.1 2.5 -5.0 -5.3 67 63 A D S S- 0 0 104 -32,-0.2 -5,-0.4 -31,-0.2 -2,-0.1 -0.661 83.4-117.1 -97.9 159.1 0.0 -3.7 -2.8 68 64 A f - 0 0 8 -2,-0.2 -7,-0.1 -7,-0.1 -2,-0.1 -0.836 38.0-124.8 -95.5 114.1 0.3 -0.8 -0.4 69 65 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 -20,-0.1 -0.249 14.8-146.3 -65.2 143.4 0.2 -2.1 3.1 70 66 A R - 0 0 157 -11,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.882 23.2-119.0-106.3 138.5 -2.3 -0.8 5.6 71 67 A Y 0 0 211 -2,-0.4 -12,-0.0 1,-0.0 0, 0.0 -0.691 360.0 360.0 -85.8 130.9 -1.2 -0.6 9.1 72 68 A H 0 0 189 -2,-0.4 -1,-0.0 0, 0.0 0, 0.0 -0.841 360.0 360.0-110.7 360.0 -3.3 -2.7 11.3