==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-APR-05 1Z99 . COMPND 2 MOLECULE: CROTAMINE; . SOURCE 2 ORGANISM_SCIENTIFIC: CROTALUS DURISSUS TERRIFICUS; . AUTHOR V.FADEL,P.BETTENDORFF,T.HERRMANN,W.F.DE AZEVEDO, . 42 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 14.3 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 . 1 2.4 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 . 6 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Y > 0 0 178 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -4.5 -8.8 -4.5 -4.0 2 2 A K H > + 0 0 159 1,-0.2 4,-2.1 2,-0.2 27,-0.0 0.909 360.0 44.9 -57.2 -55.2 -7.6 -5.8 -7.5 3 3 A Q H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.906 112.7 54.1 -62.4 -41.1 -5.1 -3.2 -8.6 4 4 A C H 4>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 3,-0.5 0.966 110.0 45.6 -48.6 -62.0 -3.6 -3.1 -5.2 5 5 A H H ><5S+ 0 0 94 -4,-2.2 3,-1.8 3,-0.3 -1,-0.2 0.783 103.5 66.9 -61.3 -26.9 -3.0 -6.9 -5.3 6 6 A K H 3<5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.968 103.9 42.6 -54.7 -56.2 -1.6 -6.5 -8.9 7 7 A K T 3<5S- 0 0 109 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.171 127.4-104.7 -73.3 18.6 1.4 -4.6 -7.5 8 8 A G T < 5S+ 0 0 21 -3,-1.8 31,-2.2 1,-0.2 2,-0.6 0.583 71.1 158.0 69.6 6.9 1.5 -7.3 -4.7 9 9 A G B < -A 38 0A 0 -5,-2.6 29,-0.2 -6,-0.3 -1,-0.2 -0.590 28.0-172.3 -77.2 111.6 -0.0 -4.6 -2.5 10 10 A H - 0 0 103 27,-1.5 -1,-0.2 -2,-0.6 -5,-0.1 0.716 48.2-101.8 -72.4 -28.2 -1.8 -6.2 0.5 11 11 A C + 0 0 44 26,-0.3 25,-0.2 -7,-0.1 -1,-0.0 0.651 49.5 177.3 95.9 113.3 -3.3 -2.9 1.8 12 12 A F B -B 35 0B 38 23,-2.3 23,-3.0 6,-0.0 2,-0.1 -0.942 32.1 -99.1-137.5 156.0 -1.8 -1.1 4.8 13 13 A P > - 0 0 24 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.469 29.6-122.4 -73.2 147.6 -2.3 2.1 6.8 14 14 A K G > S+ 0 0 127 19,-0.3 3,-1.9 1,-0.3 4,-0.1 0.905 112.3 65.4 -48.8 -44.1 -0.1 5.1 6.1 15 15 A E G 3 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 19,-0.0 0.686 89.0 66.2 -56.0 -24.4 0.9 5.0 9.8 16 16 A K G < S- 0 0 70 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.805 89.9-155.6 -65.7 -31.3 2.6 1.6 9.2 17 17 A I < - 0 0 104 -3,-1.9 2,-0.6 -4,-0.5 -2,-0.1 0.962 6.3-140.3 46.1 98.1 5.2 3.3 6.9 18 18 A C - 0 0 1 -4,-0.1 6,-0.2 6,-0.1 -1,-0.2 -0.798 29.4-141.4 -83.3 124.3 6.5 0.5 4.6 19 19 A L S S+ 0 0 116 -2,-0.6 18,-0.0 2,-0.1 3,-0.0 -0.915 74.1 47.2-133.0 155.6 10.2 0.9 4.1 20 20 A P S S- 0 0 105 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.704 93.5-132.8 -68.5 158.6 12.4 0.7 2.1 21 21 A P S S+ 0 0 87 0, 0.0 2,-1.7 0, 0.0 -2,-0.1 0.333 76.1 64.8 -75.0-163.3 10.2 2.7 -0.4 22 22 A S S > S+ 0 0 110 1,-0.2 3,-1.7 3,-0.1 -3,-0.0 -0.446 98.7 65.1 79.6 -56.6 9.3 2.2 -4.1 23 23 A S T 3 S+ 0 0 46 -2,-1.7 15,-1.5 -3,-0.3 -1,-0.2 0.630 97.8 55.9 -63.9 -16.6 7.3 -1.0 -3.3 24 24 A D T 3 S+ 0 0 22 13,-0.3 2,-1.1 -6,-0.2 12,-0.6 0.236 78.6 173.8-100.6 4.7 4.9 1.2 -1.2 25 25 A F B < -c 36 0C 63 -3,-1.7 -1,-0.1 10,-0.1 2,-0.1 0.078 52.5 -89.0 24.3 -62.8 4.2 3.4 -4.3 26 26 A G B S-D 36 0C 41 -2,-1.1 10,-0.7 10,-0.6 2,-0.3 -0.633 82.2 -29.7 167.8 -84.6 1.4 5.6 -2.9 27 27 A K + 0 0 87 8,-0.2 8,-0.1 -2,-0.1 5,-0.0 -0.968 44.3 175.1-158.1 149.4 -2.1 4.0 -3.4 28 28 A M S S- 0 0 50 -2,-0.3 -1,-0.1 -19,-0.0 -25,-0.1 0.638 82.2 -27.8-112.7 -71.0 -3.6 1.7 -6.0 29 29 A D S S+ 0 0 76 -28,-0.1 2,-0.1 2,-0.0 3,-0.1 -0.088 96.5 122.4-156.6 20.9 -7.2 0.8 -5.0 30 30 A C S S- 0 0 21 1,-0.2 6,-0.1 4,-0.1 3,-0.1 -0.413 75.9 -59.5 -77.4 176.0 -7.2 0.9 -1.1 31 31 A R > - 0 0 180 1,-0.2 2,-1.4 -2,-0.1 3,-0.6 -0.147 67.7 -93.7 -46.2 143.7 -9.5 2.9 1.1 32 32 A W T 3 S+ 0 0 254 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.606 121.1 27.6 -74.4 92.8 -9.1 6.6 0.4 33 33 A R T 3 S+ 0 0 209 -2,-1.4 -19,-0.3 1,-0.7 -1,-0.2 -0.355 103.5 87.5 148.8 -37.2 -6.4 7.3 3.1 34 34 A W < - 0 0 99 -3,-0.6 -1,-0.7 -21,-0.1 2,-0.2 -0.092 62.4-153.3 -72.5 173.0 -4.7 3.9 3.4 35 35 A K B -B 12 0B 7 -23,-3.0 -23,-2.3 -3,-0.1 2,-0.3 -0.698 5.2-126.5-134.3-174.2 -1.8 2.9 1.1 36 36 A C B +cD 25 26C 0 -10,-0.7 -10,-0.6 -12,-0.6 2,-0.3 -0.977 18.2 178.4-145.0 143.1 -0.2 -0.3 -0.3 37 37 A C - 0 0 4 -2,-0.3 -27,-1.5 -29,-0.1 -26,-0.3 -0.967 48.3 -84.4-131.6 151.9 3.1 -2.0 -0.4 38 38 A K B -A 9 0A 119 -15,-1.5 2,-1.3 -2,-0.3 -29,-0.3 -0.255 66.3 -87.6 -44.7 131.1 4.2 -5.4 -1.9 39 39 A K S S+ 0 0 155 -31,-2.2 -1,-0.2 -34,-0.1 2,-0.1 -0.271 102.8 80.2 -51.5 82.4 3.4 -8.0 0.8 40 40 A G + 0 0 58 -2,-1.3 -2,-0.1 -3,-0.1 -30,-0.0 -0.452 37.9 101.3 166.1 99.9 6.7 -7.8 2.7 41 41 A S 0 0 67 -2,-0.1 -2,-0.1 -23,-0.1 -3,-0.0 0.219 360.0 360.0-150.6 -40.8 8.1 -5.4 5.3 42 42 A G 0 0 121 -24,-0.0 -24,-0.0 0, 0.0 0, 0.0 0.013 360.0 360.0-176.0 360.0 7.9 -6.9 8.8