==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 31-MAR-99 1CHZ . COMPND 2 MOLECULE: PROTEIN (BMK M2); . SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; . AUTHOR X.L.HE,J.P.DENG,H.M.LI,D.C.WANG . 64 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 56.2 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 . 18 28.1 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 4 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 1 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 V 0 0 100 0, 0.0 2,-0.3 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 159.4 7.6 9.0 8.9 2 2 A R E -A 51 0A 104 49,-1.5 49,-2.7 2,-0.0 2,-0.5 -0.964 360.0-116.2-155.9 162.4 10.1 7.0 6.9 3 3 A D E + 0 0 83 -2,-0.3 2,-0.3 47,-0.2 46,-0.2 -0.914 59.4 115.0-103.3 127.4 13.5 5.3 7.3 4 4 A A E -A 48 0A 12 44,-2.0 44,-3.2 -2,-0.5 2,-0.7 -0.989 67.9 -66.9-174.5 179.4 16.2 6.8 5.0 5 5 A Y E -A 47 0A 4 -2,-0.3 53,-2.4 53,-0.3 42,-0.2 -0.765 49.1-137.7 -86.2 118.1 19.4 8.7 4.4 6 6 A I B -C 57 0B 2 -2,-0.7 8,-0.5 40,-0.5 2,-0.4 -0.501 23.3-131.8 -73.4 147.9 18.9 12.3 5.4 7 7 A A E -D 13 0C 11 49,-2.5 6,-0.2 6,-0.2 -1,-0.1 -0.799 15.5-158.5-109.1 142.6 20.4 14.7 2.9 8 8 A K E > -D 12 0C 70 4,-2.4 4,-1.9 -2,-0.4 3,-0.4 -0.746 63.2 -34.0-100.9 160.6 22.6 17.7 3.3 9 9 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 -0.356 125.7 14.4 -58.9 137.0 22.5 20.1 0.3 10 10 A H T 4 S- 0 0 125 52,-0.1 54,-1.7 -3,-0.0 3,-0.1 0.122 122.3 -62.2-123.6 100.4 22.1 19.2 -2.4 11 11 A N T 4 S+ 0 0 36 -3,-0.4 2,-0.4 1,-0.3 47,-0.1 0.923 92.1 130.0 71.7 45.0 20.9 15.6 -2.5 12 12 A a E < -D 8 0C 10 -4,-1.9 -4,-2.4 51,-0.1 -1,-0.3 -0.948 56.4-121.4-127.0 148.9 24.0 14.2 -0.8 13 13 A V E -D 7 0C 19 -2,-0.4 2,-0.8 -6,-0.2 -6,-0.2 -0.362 31.0-105.5 -81.4 174.7 24.1 11.9 2.1 14 14 A Y - 0 0 54 -8,-0.5 32,-2.3 32,-0.3 -8,-0.1 -0.909 38.5-135.4-101.1 106.5 26.0 12.8 5.3 15 15 A E - 0 0 115 -2,-0.8 2,-0.3 30,-0.2 30,-0.1 -0.236 31.5-172.2 -59.9 155.5 29.1 10.8 5.2 16 16 A b - 0 0 17 21,-0.2 3,-0.1 1,-0.1 29,-0.1 -0.995 40.4-172.4-156.5 160.7 30.1 9.1 8.6 17 17 A A S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.509 79.1 35.5-127.4 -19.9 32.5 7.1 10.7 18 18 A R > - 0 0 147 1,-0.1 4,-1.1 17,-0.0 -1,-0.2 -0.974 67.3-128.2-138.9 155.5 30.5 6.3 13.8 19 19 A N H > S+ 0 0 79 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.861 104.8 61.7 -64.7 -38.1 26.9 5.5 14.9 20 20 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 99.0 53.2 -60.1 -39.7 26.8 8.2 17.6 21 21 A Y H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 112.8 44.5 -63.5 -44.4 27.3 11.0 15.2 22 22 A c H X S+ 0 0 0 -4,-1.1 4,-3.3 2,-0.2 5,-0.3 0.889 109.7 54.7 -67.4 -38.4 24.4 9.9 13.0 23 23 A N H X S+ 0 0 63 -4,-2.6 4,-2.4 11,-0.3 5,-0.3 0.928 111.7 45.9 -60.0 -39.7 22.2 9.3 16.0 24 24 A N H X S+ 0 0 92 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.923 114.8 46.2 -70.4 -43.3 22.9 12.8 17.0 25 25 A L H X S+ 0 0 12 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.872 114.8 47.8 -63.7 -40.8 22.3 14.2 13.5 26 26 A d H <>S+ 0 0 0 -4,-3.3 5,-2.8 1,-0.2 3,-0.3 0.915 113.4 44.7 -70.0 -44.7 19.0 12.2 13.1 27 27 A T H ><5S+ 0 0 58 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.802 105.9 60.3 -71.4 -26.4 17.4 13.0 16.4 28 28 A K H 3<5S+ 0 0 148 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.9 49.7 -64.7 -29.5 18.3 16.7 16.0 29 29 A N T 3<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.103 132.0 -91.8 -97.5 18.8 16.2 16.4 12.9 30 30 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.442 78.3 140.9 89.1 2.4 13.2 14.8 14.6 31 31 A A < - 0 0 14 -5,-2.8 -1,-0.2 -6,-0.1 19,-0.2 -0.209 61.9-125.7 -71.7 166.2 14.1 11.1 14.1 32 32 A K S S- 0 0 151 17,-2.6 2,-0.3 1,-0.3 18,-0.2 0.768 83.3 -55.2 -77.4 -30.9 13.6 8.4 16.7 33 33 A S E -B 49 0A 41 16,-0.9 16,-2.6 -7,-0.1 -1,-0.3 -0.976 56.9-145.3 172.5-179.3 17.3 7.7 16.2 34 34 A G E -B 48 0A 5 -2,-0.3 -11,-0.3 14,-0.2 2,-0.3 -0.990 5.9-164.7-164.8 171.4 20.0 6.9 13.7 35 35 A Y E -B 47 0A 95 12,-2.1 12,-3.1 -2,-0.3 2,-0.5 -0.946 35.2 -88.5-155.1 169.4 23.3 5.1 12.7 36 36 A b E -B 46 0A 7 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.772 32.9-161.7 -88.4 128.0 26.1 5.0 10.2 37 37 A Q E +B 45 0A 58 8,-2.0 8,-2.5 -2,-0.5 -21,-0.2 -0.927 11.8 179.2-107.1 128.6 25.5 2.7 7.2 38 38 A W E S+ 0 0 145 -2,-0.5 6,-0.3 6,-0.2 -1,-0.1 0.604 80.4 27.8-102.4 -20.6 28.7 1.7 5.4 39 39 A S E S+ 0 0 105 4,-0.2 5,-0.1 6,-0.1 -1,-0.1 -0.164 87.8 119.0-139.9 46.5 27.1 -0.5 2.7 40 40 A G E > S-B 43 0A 32 3,-1.2 3,-1.3 5,-0.1 4,-0.1 -0.078 83.6 -60.1 -94.7-166.2 23.5 0.6 2.0 41 41 A K T 3 S+ 0 0 157 1,-0.3 3,-0.1 2,-0.1 -1,-0.0 0.732 139.7 25.0 -52.1 -30.1 21.8 1.8 -1.2 42 42 A Y T 3 S- 0 0 68 1,-0.4 2,-0.4 3,-0.1 -1,-0.3 0.230 110.9-125.8-116.8 7.3 24.0 4.9 -1.5 43 43 A G E < S+ B 0 40A 23 -3,-1.3 -3,-1.2 2,-0.1 -1,-0.4 -0.697 75.3 26.2 86.5-130.1 26.9 3.4 0.4 44 44 A N E S+ 0 0 49 -2,-0.4 -6,-0.2 -6,-0.3 2,-0.2 -0.484 84.3 101.6 -75.9 133.2 28.3 5.3 3.3 45 45 A G E S- B 0 37A 0 -8,-2.5 -8,-2.0 -2,-0.3 -30,-0.2 -0.806 70.9 -70.2 162.5 154.7 26.0 7.7 5.0 46 46 A c E - B 0 36A 0 -32,-2.3 -40,-0.5 -2,-0.2 2,-0.4 -0.447 41.6-158.4 -65.3 134.2 23.9 8.4 8.0 47 47 A W E -AB 5 35A 56 -12,-3.1 -12,-2.1 -42,-0.2 2,-0.4 -0.962 7.3-154.3-116.3 132.2 20.6 6.4 8.1 48 48 A d E -AB 4 34A 0 -44,-3.2 -44,-2.0 -2,-0.4 2,-0.6 -0.887 7.3-141.7-116.3 137.5 17.7 7.7 10.1 49 49 A I E S- B 0 33A 30 -16,-2.6 -17,-2.6 -2,-0.4 -16,-0.9 -0.841 82.3 -7.2 -98.0 114.2 14.8 5.8 11.7 50 50 A E E S- 0 0 80 -2,-0.6 -1,-0.2 -19,-0.2 -47,-0.2 0.977 79.3-179.7 65.3 57.0 11.4 7.4 11.6 51 51 A L E -A 2 0A 0 -49,-2.7 -49,-1.5 -3,-0.4 -1,-0.1 -0.579 38.8 -95.6 -81.9 142.8 12.4 10.8 10.2 52 52 A P > - 0 0 36 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.373 34.3-115.6 -59.9 146.8 9.5 13.2 9.7 53 53 A D T 3 S+ 0 0 94 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.691 109.0 57.2 -60.5 -19.6 8.2 13.2 6.2 54 54 A N T 3 S+ 0 0 141 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.638 80.2 99.2 -88.8 -15.1 9.2 16.9 5.4 55 55 A V S < S- 0 0 17 -3,-1.1 2,-0.1 -26,-0.1 -4,-0.1 -0.480 84.8-101.9 -74.2 137.7 12.9 16.6 6.1 56 56 A P - 0 0 86 0, 0.0 -49,-2.5 0, 0.0 2,-0.3 -0.392 42.5-176.6 -64.3 133.9 15.1 16.2 3.0 57 57 A I B -C 6 0B 39 -51,-0.3 2,-0.4 -2,-0.1 -51,-0.2 -0.833 35.8 -87.2-126.3 164.1 16.4 12.7 2.2 58 58 A R - 0 0 45 -53,-2.4 -53,-0.3 -2,-0.3 3,-0.1 -0.600 47.8-177.1 -74.3 124.9 18.7 11.3 -0.6 59 59 A V - 0 0 69 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.741 39.2 -73.1-117.1 166.3 16.8 10.4 -3.8 60 60 A P S S+ 0 0 108 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.246 95.5 51.9 -55.8 152.5 18.1 8.9 -7.0 61 61 A G S S- 0 0 62 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.916 91.3 -16.8 128.2-151.3 20.1 11.3 -9.1 62 62 A K - 0 0 139 -2,-0.4 2,-0.6 -50,-0.0 -3,-0.1 -0.716 38.0-144.5-106.4 147.7 23.0 13.5 -8.5 63 63 A a 0 0 46 -2,-0.3 -52,-0.2 -54,-0.1 -51,-0.1 -0.912 360.0 360.0 -99.6 122.7 24.7 14.9 -5.5 64 64 A H 0 0 174 -54,-1.7 -52,-0.1 -2,-0.6 -2,-0.0 -0.863 360.0 360.0 -99.4 360.0 26.0 18.4 -6.2