==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-MAR-11 2LA1 . COMPND 2 MOLECULE: MAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS JAMESONI KAIMOSAE; . AUTHOR W.J.CHUANG,C.H.CHENG,Y.C.CHEN,J.H.SHIU . 59 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 37.3 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 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.4 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 . 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 76 0, 0.0 16,-3.2 0, 0.0 2,-1.0 0.000 360.0 360.0 360.0-156.4 1.5 12.2 3.0 2 2 A I E +A 16 0A 69 14,-0.3 54,-3.9 16,-0.1 55,-0.3 -0.684 360.0 162.4 -85.1 105.6 -1.2 11.5 0.4 3 3 A a E -A 15 0A 1 12,-2.6 12,-3.9 -2,-1.0 2,-0.3 -0.702 45.1 -88.1-116.0 171.7 -0.8 7.8 -0.5 4 4 A Y E -A 14 0A 38 32,-0.3 10,-0.3 10,-0.3 19,-0.1 -0.599 30.1-172.0 -80.7 138.3 -3.2 5.4 -2.2 5 5 A N + 0 0 49 8,-3.2 9,-0.2 -2,-0.3 -1,-0.1 0.160 32.9 142.7-112.8 16.6 -5.5 3.5 0.2 6 6 A H - 0 0 19 52,-0.1 29,-2.0 6,-0.1 2,-0.8 -0.345 42.3-146.2 -59.9 133.2 -6.9 1.1 -2.4 7 7 A L B > -B 34 0B 24 4,-0.4 3,-2.2 27,-0.2 27,-0.3 -0.846 39.2 -89.2-106.9 103.7 -7.5 -2.3 -0.9 8 8 A G T 3 S- 0 0 14 25,-2.6 -1,-0.1 -2,-0.8 26,-0.1 0.009 114.3 -6.9 33.2-103.4 -6.9 -5.2 -3.4 9 9 A T T 3 S+ 0 0 126 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.734 114.5 105.5 -89.8 -22.8 -10.4 -5.5 -4.9 10 10 A K S < S- 0 0 107 -3,-2.2 -4,-0.0 1,-0.2 0, 0.0 0.048 95.3 -67.8 -46.8 171.6 -12.0 -3.0 -2.4 11 11 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -4,-0.4 -0.520 56.9-122.4 -69.6 124.7 -12.8 0.4 -3.8 12 12 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.568 45.5 155.4 -74.3 121.0 -9.6 2.2 -4.6 13 13 A T - 0 0 67 -2,-0.5 -8,-3.2 2,-0.0 -7,-0.1 -0.995 39.2-117.2-144.0 150.1 -9.2 5.5 -2.8 14 14 A T E -A 4 0A 58 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.3 -0.357 26.8-161.1 -81.1 168.0 -6.2 7.7 -1.7 15 15 A E E -A 3 0A 99 -12,-3.9 -12,-2.6 21,-0.1 2,-0.2 -0.929 16.2-128.1-153.7 125.9 -5.5 8.4 1.9 16 16 A T E +A 2 0A 88 -2,-0.3 -14,-0.3 -14,-0.3 2,-0.2 -0.502 39.7 163.1 -74.6 140.5 -3.4 11.1 3.6 17 17 A b - 0 0 53 -16,-3.2 21,-0.1 -2,-0.2 -1,-0.0 -0.766 45.6-109.8-141.9-171.4 -0.8 9.8 6.1 18 18 A Q S S+ 0 0 160 -2,-0.2 2,-0.2 19,-0.1 -1,-0.1 0.850 89.7 81.8 -96.1 -44.2 2.3 10.9 7.9 19 19 A E S S- 0 0 102 18,-0.2 19,-0.2 1,-0.2 -2,-0.1 -0.446 72.9-143.1 -65.5 129.5 5.0 8.8 6.2 20 20 A D S S+ 0 0 96 -2,-0.2 -1,-0.2 17,-0.1 2,-0.1 0.652 83.0 80.4 -68.1 -9.4 6.1 10.4 2.9 21 21 A S S S- 0 0 23 32,-0.2 2,-0.4 16,-0.1 32,-0.3 -0.369 73.1-144.5 -88.0 176.7 6.4 6.9 1.6 22 22 A a E -C 52 0B 0 30,-2.2 30,-0.9 15,-0.4 2,-0.5 -0.955 8.6-152.0-143.3 119.5 3.4 4.8 0.4 23 23 A Y E +C 51 0B 54 -2,-0.4 13,-3.4 28,-0.2 2,-0.4 -0.801 18.2 170.5-100.5 133.1 3.3 1.0 1.0 24 24 A K E +CD 50 35B 35 26,-3.1 26,-3.2 -2,-0.5 2,-0.3 -0.921 13.2 163.5-139.1 106.2 1.4 -1.2 -1.4 25 25 A N E - D 0 34B 14 9,-1.1 9,-1.5 -2,-0.4 -2,-0.0 -0.917 41.6-140.0-127.5 154.9 1.9 -4.9 -1.0 26 26 A I S S+ 0 0 69 -2,-0.3 2,-0.3 7,-0.2 -1,-0.1 0.770 83.5 88.1 -83.2 -25.7 0.1 -8.1 -2.1 27 27 A W + 0 0 141 7,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.566 57.7 121.1 -74.6 130.1 0.6 -9.8 1.3 28 28 A T - 0 0 52 -2,-0.3 4,-0.1 3,-0.2 -2,-0.1 -0.729 61.8 -96.3-159.5-150.3 -2.2 -9.0 3.7 29 29 A F S S- 0 0 201 -2,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.682 98.8 -6.5-112.8 -81.3 -4.9 -10.6 5.9 30 30 A D S S+ 0 0 128 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.903 131.8 41.2 -87.4 -45.5 -8.4 -10.8 4.3 31 31 A N S S- 0 0 25 1,-0.1 -3,-0.2 -4,-0.1 3,-0.1 0.209 78.9-132.9 -81.1-150.8 -7.9 -8.7 1.2 32 32 A I S S+ 0 0 93 1,-0.5 2,-0.3 -5,-0.1 -1,-0.1 0.523 76.7 36.8-132.9 -66.8 -4.8 -8.9 -1.1 33 33 A I - 0 0 39 -9,-0.1 -25,-2.6 -5,-0.1 -1,-0.5 -0.726 60.3-177.2 -95.2 144.7 -3.2 -5.6 -2.1 34 34 A R E -BD 7 25B 104 -9,-1.5 -9,-1.1 -2,-0.3 2,-0.5 -0.867 10.9-161.0-145.9 112.3 -3.1 -2.7 0.3 35 35 A R E + D 0 24B 26 -29,-2.0 -11,-0.3 -2,-0.4 2,-0.2 -0.755 33.0 137.6 -91.5 128.3 -1.7 0.8 -0.6 36 36 A G - 0 0 15 -13,-3.4 2,-0.6 -2,-0.5 -32,-0.3 -0.470 55.3 -61.7-142.5-145.9 -0.8 2.9 2.5 37 37 A b S S+ 0 0 25 -15,-0.3 -15,-0.4 -2,-0.2 2,-0.3 -0.912 95.0 3.2-121.1 110.2 1.8 5.3 3.7 38 38 A G S S- 0 0 0 -2,-0.6 14,-0.6 14,-0.3 2,-0.2 -0.869 96.7 -49.2 121.0-155.6 5.4 4.0 4.2 39 39 A c - 0 0 62 -2,-0.3 -16,-0.2 1,-0.2 -2,-0.1 -0.717 58.6 -92.5-114.9 168.6 6.9 0.7 3.4 40 40 A F - 0 0 33 -2,-0.2 3,-0.3 -18,-0.1 -1,-0.2 0.043 35.5-115.3 -66.6-176.2 5.8 -2.9 4.3 41 41 A T S S+ 0 0 135 1,-0.2 2,-1.1 2,-0.0 -1,-0.1 0.905 106.2 48.3 -92.2 -48.3 7.0 -4.6 7.4 42 42 A P S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.309 78.3 178.3 -88.4 51.5 9.0 -7.6 6.1 43 43 A R + 0 0 194 -2,-1.1 2,-0.3 -3,-0.3 3,-0.1 -0.236 29.6 100.0 -53.2 141.2 11.0 -5.5 3.6 44 44 A G S S- 0 0 48 3,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.986 83.9 -79.4 165.5-171.8 13.5 -7.7 1.8 45 45 A D S S+ 0 0 171 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.694 114.2 67.8 -93.1 -19.6 14.1 -9.7 -1.5 46 46 A M S S+ 0 0 195 -4,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.983 103.1 46.0 -62.3 -54.0 11.9 -12.7 -0.6 47 47 A P S S- 0 0 24 0, 0.0 -3,-0.2 0, 0.0 -22,-0.0 -0.379 70.6-155.8 -82.7 162.9 8.7 -10.6 -0.8 48 48 A G + 0 0 62 -2,-0.1 -3,-0.1 -5,-0.1 -5,-0.1 -0.289 35.1 144.9-139.9 56.2 8.0 -8.2 -3.6 49 49 A P - 0 0 18 0, 0.0 2,-0.5 0, 0.0 -24,-0.3 0.012 49.0-107.3 -79.4-171.2 5.5 -5.6 -2.3 50 50 A Y E +C 24 0B 130 -26,-3.2 -26,-3.1 8,-0.1 2,-0.3 -0.856 36.2 169.4-131.6 108.8 5.6 -1.9 -3.4 51 51 A c E +C 23 0B 29 -2,-0.5 2,-0.3 -28,-0.3 -28,-0.2 -0.754 12.6 177.6-106.7 156.6 6.8 1.0 -1.2 52 52 A d E -C 22 0B 17 -30,-0.9 -30,-2.2 -14,-0.6 -14,-0.3 -0.967 34.3-136.7-152.3 167.9 7.3 4.5 -2.6 53 53 A E S S+ 0 0 160 -32,-0.3 2,-0.3 -2,-0.3 -32,-0.2 -0.079 76.7 79.4-121.7 36.4 8.2 8.0 -1.5 54 54 A S S > S- 0 0 54 -32,-0.1 3,-1.3 -53,-0.0 4,-0.3 -0.947 86.2 -92.6-137.2 158.5 5.7 10.0 -3.5 55 55 A D T 3 S+ 0 0 57 -2,-0.3 -52,-0.3 1,-0.3 -33,-0.1 -0.360 109.4 0.6 -69.9 152.9 2.0 10.9 -2.9 56 56 A K T 3 S+ 0 0 106 -54,-3.9 3,-0.5 1,-0.2 -1,-0.3 0.814 95.0 133.5 39.6 30.1 -0.5 8.6 -4.5 57 57 A d < + 0 0 36 -3,-1.3 2,-0.5 -55,-0.3 -1,-0.2 0.751 55.4 66.0 -80.9 -22.4 2.6 6.8 -5.8 58 58 A N 0 0 0 -4,-0.3 -1,-0.2 1,-0.2 -52,-0.1 -0.174 360.0 360.0 -91.9 45.9 1.3 3.3 -4.8 59 59 A L 0 0 102 -2,-0.5 -1,-0.2 -3,-0.5 -2,-0.1 0.751 360.0 360.0 -79.9 360.0 -1.5 3.4 -7.4