==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-AUG-05 2C06 . COMPND 2 MOLECULE: KID TOXIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.B.KAMPHUIS,A.M.J.J.BONVIN,M.C.MONTI,M.LEMONNIER, . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 58.2 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 . 46 20.9 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 . 2 0.9 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 . 30 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 2 0 0 0 1 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 . 3 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 M 0 0 106 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 121.2 12.0 15.3 2.9 2 2 A E > - 0 0 124 28,-0.1 3,-1.3 1,-0.1 2,-0.3 -0.678 360.0 -78.0-116.8 172.1 12.5 15.1 -0.8 3 3 A R T 3 S+ 0 0 61 1,-0.2 25,-0.1 -2,-0.2 3,-0.1 -0.522 114.4 25.9 -73.2 131.1 11.8 12.6 -3.6 4 4 A G T 3 S+ 0 0 0 23,-1.5 89,-2.6 1,-0.3 -1,-0.2 0.447 88.1 135.9 97.7 1.2 14.3 9.7 -3.7 5 5 A E E < -A 92 0A 18 -3,-1.3 22,-2.1 87,-0.2 2,-0.6 -0.578 49.6-135.5 -84.6 146.9 15.3 9.9 -0.0 6 6 A I E - B 0 26A 9 85,-3.0 84,-2.6 -2,-0.2 2,-0.5 -0.905 22.1-174.8-106.5 118.9 15.6 6.8 2.1 7 7 A W E -AB 89 25A 45 18,-2.7 18,-3.7 -2,-0.6 2,-0.4 -0.951 20.6-132.5-118.1 128.6 14.1 6.9 5.6 8 8 A L E +AB 88 24A 52 80,-3.5 80,-2.0 -2,-0.5 2,-0.3 -0.637 42.9 144.1 -80.1 130.0 14.4 4.2 8.2 9 9 A V E - B 0 23A 0 14,-1.6 14,-2.1 -2,-0.4 2,-0.4 -0.972 44.9-108.0-158.3 165.2 11.2 3.1 9.9 10 10 A S - 0 0 35 -2,-0.3 12,-0.1 12,-0.2 10,-0.1 -0.841 11.6-167.6-105.0 139.9 9.3 0.1 11.3 11 11 A L + 0 0 8 -2,-0.4 -1,-0.1 10,-0.2 8,-0.1 0.511 51.6 140.8 -98.4 -9.2 6.3 -1.5 9.6 12 12 A D + 0 0 56 2,-0.1 2,-0.1 113,-0.1 -2,-0.1 -0.311 28.0 69.8 -78.1 165.6 5.5 -3.5 12.7 13 13 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 113,-0.1 0.388 73.8 175.0 -73.9 139.2 3.5 -4.7 14.5 14 14 A T - 0 0 20 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.769 14.7-157.5-111.3 157.1 2.5 -7.0 11.7 15 15 A A - 0 0 27 -2,-0.3 2,-1.7 109,-0.1 3,-0.4 -0.979 61.6 -2.9-136.3 148.9 0.1 -9.9 11.7 16 16 A G S S- 0 0 63 -2,-0.3 -2,-0.1 1,-0.2 175,-0.0 -0.565 131.0 -29.6 77.9 -86.6 -0.4 -13.0 9.6 17 17 A H S S+ 0 0 117 -2,-1.7 -1,-0.2 2,-0.0 174,-0.0 -0.090 88.6 144.9-160.4 45.1 2.3 -12.4 7.0 18 18 A E - 0 0 14 -3,-0.4 2,-1.5 1,-0.1 -4,-0.1 -0.210 67.5 -77.1 -79.4 176.6 2.9 -8.7 6.5 19 19 A Q - 0 0 32 57,-0.1 2,-0.2 171,-0.1 -8,-0.1 -0.621 64.2-177.6 -78.9 90.4 6.2 -7.1 5.8 20 20 A Q + 0 0 111 -2,-1.5 -10,-0.0 -10,-0.1 -5,-0.0 -0.522 32.4 66.0 -89.9 158.6 7.7 -7.3 9.2 21 21 A G S S- 0 0 29 -2,-0.2 -10,-0.2 2,-0.0 2,-0.2 0.353 83.8 -84.8 101.9 127.7 11.1 -6.0 10.4 22 22 A T + 0 0 82 -12,-0.1 -12,-0.2 -11,-0.1 -2,-0.1 -0.412 61.0 154.7 -63.1 129.9 12.5 -2.4 10.6 23 23 A R E -B 9 0A 46 -14,-2.1 -14,-1.6 -2,-0.2 2,-0.3 -0.987 47.7 -91.5-155.4 155.5 13.9 -1.3 7.2 24 24 A P E -B 8 0A 22 0, 0.0 21,-0.4 0, 0.0 -16,-0.3 -0.547 41.7-154.2 -72.5 131.6 14.6 1.9 5.3 25 25 A V E -B 7 0A 0 -18,-3.7 -18,-2.7 -2,-0.3 2,-0.4 -0.773 11.0-123.4-107.4 154.1 11.7 2.9 3.0 26 26 A L E -BC 6 43A 4 17,-1.5 17,-1.0 -2,-0.3 2,-0.8 -0.827 20.6-124.1-100.9 133.0 11.8 5.0 -0.1 27 27 A I E + C 0 42A 2 -22,-2.1 -23,-1.5 -2,-0.4 15,-0.2 -0.647 32.8 172.6 -76.5 109.0 9.8 8.2 -0.5 28 28 A V + 0 0 1 13,-2.8 -1,-0.2 -2,-0.8 14,-0.1 0.856 55.0 76.9 -85.4 -39.6 7.7 7.8 -3.6 29 29 A T S S- 0 0 4 12,-0.8 -25,-0.1 1,-0.1 190,-0.1 -0.438 88.8-105.1 -75.4 146.8 5.5 10.9 -3.3 30 30 A P > - 0 0 30 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.255 27.6-110.7 -68.3 158.1 7.0 14.4 -4.2 31 31 A A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 117.2 58.7 -56.9 -39.7 8.0 16.9 -1.5 32 32 A A H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.898 109.8 43.1 -57.7 -42.1 5.1 19.2 -2.5 33 33 A F H >>S+ 0 0 70 -3,-0.5 4,-3.2 1,-0.2 5,-0.7 0.930 113.2 50.6 -70.4 -46.5 2.6 16.4 -1.8 34 34 A N H X5S+ 0 0 5 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.804 107.6 56.8 -61.9 -30.3 4.3 15.4 1.5 35 35 A R H <5S+ 0 0 190 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.919 118.7 28.1 -68.4 -45.0 4.3 19.0 2.6 36 36 A V H <5S+ 0 0 88 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.875 132.4 33.5 -86.7 -41.0 0.5 19.5 2.3 37 37 A T H <5S- 0 0 50 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.832 83.6-153.1 -84.8 -33.3 -0.8 15.9 2.9 38 38 A R << + 0 0 160 -4,-0.8 44,-0.2 -5,-0.7 -4,-0.2 0.699 65.5 104.7 65.5 20.4 2.0 14.9 5.4 39 39 A L - 0 0 33 -6,-0.3 2,-0.3 42,-0.1 -1,-0.1 -0.828 55.2-166.6-134.0 91.8 1.4 11.3 4.3 40 40 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 40,-0.2 -0.633 21.0-125.8 -84.4 135.4 4.2 10.0 2.0 41 41 A V - 0 0 23 -2,-0.3 -13,-2.8 38,-0.1 -12,-0.8 -0.671 36.3-173.1 -79.2 124.8 3.8 6.8 0.1 42 42 A V E -C 27 0A 4 -2,-0.5 36,-0.8 36,-0.4 -15,-0.2 -0.894 18.0-145.7-124.3 153.7 6.7 4.5 0.8 43 43 A V E -C 26 0A 0 -17,-1.0 -17,-1.5 -2,-0.3 2,-0.2 -0.927 23.3-119.9-117.4 140.7 7.9 1.1 -0.5 44 44 A P - 0 0 4 0, 0.0 29,-2.5 0, 0.0 2,-0.6 -0.488 16.0-134.2 -81.3 147.7 9.6 -1.6 1.6 45 45 A V E +D 72 0B 13 -21,-0.4 27,-0.3 27,-0.2 2,-0.2 -0.901 42.6 141.8-103.8 119.7 13.1 -2.9 1.0 46 46 A T E -D 71 0B 19 25,-2.7 25,-3.2 -2,-0.6 2,-0.1 -0.477 50.5 -63.6-133.6-158.1 13.5 -6.7 1.1 47 47 A S - 0 0 87 23,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.268 32.8-167.2 -87.7-178.8 15.3 -9.4 -0.8 48 48 A G - 0 0 35 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.509 41.4 -90.0-131.9 -69.2 15.0 -10.4 -4.4 49 49 A G S S- 0 0 71 2,-0.4 -1,-0.2 4,-0.0 3,-0.1 -0.360 90.3 -4.9-173.0 -99.1 16.5 -13.6 -5.4 50 50 A N S S+ 0 0 162 1,-0.2 2,-0.3 -2,-0.1 -3,-0.0 0.887 127.7 12.3 -86.8 -45.1 20.0 -14.2 -6.7 51 51 A F S S- 0 0 102 3,-0.1 2,-2.4 2,-0.0 -2,-0.4 -0.882 85.0 -97.6-132.5 161.5 21.2 -10.6 -6.9 52 52 A A S S+ 0 0 19 -2,-0.3 10,-2.3 -4,-0.1 9,-1.5 -0.417 89.5 96.9 -77.9 65.6 20.1 -7.2 -5.7 53 53 A R S S- 0 0 126 -2,-2.4 2,-0.1 7,-0.2 7,-0.1 -0.662 84.0 -33.1-136.4-168.7 18.5 -6.4 -9.0 54 54 A T + 0 0 34 -2,-0.2 5,-0.2 1,-0.1 2,-0.1 -0.327 53.7 168.7 -57.9 121.5 15.1 -6.4 -10.8 55 55 A A B > -E 58 0C 48 3,-2.3 3,-1.3 -2,-0.1 2,-1.2 -0.591 60.6 -81.7-137.0 70.3 13.1 -9.4 -9.6 56 56 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 -0.541 125.4 11.9 73.0 -97.2 9.5 -8.9 -10.9 57 57 A F T 3 S+ 0 0 61 -2,-1.2 17,-2.2 -3,-0.1 2,-0.4 0.535 118.0 88.2 -87.9 -9.7 8.0 -6.5 -8.4 58 58 A A B < S-EF 55 73C 2 -3,-1.3 -3,-2.3 15,-0.2 15,-0.3 -0.769 72.4-142.9 -91.9 134.2 11.5 -5.8 -7.0 59 59 A V - 0 0 0 13,-3.3 13,-0.4 -2,-0.4 2,-0.1 -0.487 25.9 -88.0 -95.0 165.7 13.5 -3.0 -8.7 60 60 A S + 0 0 35 -2,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.430 51.6 151.4 -72.0 143.3 17.2 -2.8 -9.4 61 61 A L > + 0 0 7 -9,-1.5 3,-1.3 1,-0.2 2,-0.4 0.529 43.9 84.5-136.5 -52.9 19.4 -1.4 -6.7 62 62 A D T 3 S+ 0 0 96 -10,-2.3 -1,-0.2 1,-0.2 7,-0.0 -0.461 80.0 56.4 -66.2 116.1 23.0 -2.7 -6.8 63 63 A G T 3 S+ 0 0 69 -2,-0.4 -1,-0.2 -3,-0.1 -10,-0.0 0.060 86.4 71.8 152.6 -27.9 24.9 -0.7 -9.3 64 64 A V S < S- 0 0 56 -3,-1.3 -2,-0.1 30,-0.0 32,-0.0 0.563 103.9-112.7 -89.6 -10.5 24.6 2.9 -8.1 65 65 A G + 0 0 73 -4,-0.2 2,-0.2 1,-0.1 -3,-0.1 0.985 54.1 163.4 76.7 73.0 26.9 2.4 -5.1 66 66 A I - 0 0 45 2,-0.1 -1,-0.1 -5,-0.1 27,-0.1 -0.671 45.8-131.2-116.6 172.3 24.8 2.7 -2.0 67 67 A R S S+ 0 0 204 -2,-0.2 2,-0.8 2,-0.0 -1,-0.1 0.734 86.1 87.6 -92.7 -28.4 25.1 1.8 1.6 68 68 A T - 0 0 24 -7,-0.0 2,-0.8 1,-0.0 -2,-0.1 -0.635 67.5-157.3 -77.2 109.6 21.7 0.2 1.9 69 69 A T + 0 0 132 -2,-0.8 2,-0.3 2,-0.1 -2,-0.0 -0.799 50.5 67.4 -93.5 110.7 22.1 -3.5 0.8 70 70 A G S S- 0 0 16 -2,-0.8 2,-0.4 -18,-0.1 -23,-0.2 -0.978 78.2 -81.3 171.2-169.0 18.8 -4.9 -0.4 71 71 A V E -D 46 0B 5 -25,-3.2 -25,-2.7 -2,-0.3 2,-0.5 -0.990 32.4-129.8-129.2 124.9 16.2 -4.8 -3.1 72 72 A V E -D 45 0B 6 -2,-0.4 -13,-3.3 -13,-0.4 2,-0.4 -0.601 29.1-166.5 -74.0 121.1 13.3 -2.3 -3.2 73 73 A R B -F 58 0C 61 -29,-2.5 -15,-0.2 -2,-0.5 3,-0.1 -0.921 22.9-173.4-114.9 136.0 10.0 -4.1 -3.7 74 74 A C + 0 0 0 -17,-2.2 -16,-0.1 -2,-0.4 34,-0.1 -0.106 65.3 94.6-113.9 32.5 6.8 -2.5 -4.7 75 75 A D S S+ 0 0 12 1,-0.2 -1,-0.1 -31,-0.2 -17,-0.1 0.901 91.9 27.1 -89.0 -49.6 4.7 -5.6 -4.2 76 76 A Q S S+ 0 0 13 -32,-0.1 -1,-0.2 -3,-0.1 2,-0.2 -0.657 83.6 156.9-117.3 74.6 3.4 -5.2 -0.7 77 77 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 -34,-0.1 -0.539 10.5 169.4 -96.3 163.6 3.3 -1.4 -0.0 78 78 A R - 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