==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 17-DEC-96 4ULL . COMPND 2 MOLECULE: SHIGA-LIKE TOXIN I SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: PHAGE H30, ENTEROBACTERIA PHAGE H-19B; . AUTHOR J.M.RICHARDSON,P.D.EVANS,S.W.HOMANS,A.DONOHUE-ROLFE . 69 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 59.4 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 . 17 24.6 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 . 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 . 9 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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 . 9 13.0 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+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 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 T 0 0 151 0, 0.0 2,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.3 35.6 90.7 -79.9 2 2 A P + 0 0 103 0, 0.0 52,-0.5 0, 0.0 53,-0.1 -0.332 360.0 132.4 -78.1 56.8 33.8 93.1 -77.6 3 3 A D - 0 0 60 -2,-2.2 51,-0.6 50,-0.2 50,-0.1 0.205 33.4-174.2 -88.0-147.0 36.6 93.0 -75.0 4 4 A a E -A 53 0A 58 1,-0.3 49,-0.2 49,-0.2 2,-0.2 -0.122 40.8 -25.1-171.4 -86.9 38.3 96.1 -73.4 5 5 A V E -A 52 0A 32 47,-3.6 47,-0.6 1,-0.1 -1,-0.3 -0.595 62.4 -80.3-135.3-162.1 41.3 96.2 -71.0 6 6 A T E -A 51 0A 41 45,-0.3 20,-0.6 -2,-0.2 45,-0.4 -0.339 29.0-134.1 -98.8-177.5 43.4 94.2 -68.5 7 7 A G E +A 50 0A 1 43,-2.1 43,-1.9 18,-0.3 42,-0.3 -0.369 39.0 148.0-142.7 67.1 42.7 93.5 -64.8 8 8 A K - 0 0 52 41,-0.3 41,-0.3 42,-0.2 36,-0.1 0.306 47.9-117.8 -72.7-146.3 45.7 94.0 -62.5 9 9 A V + 0 0 22 39,-0.4 2,-0.8 15,-0.1 15,-0.2 -0.248 49.4 148.3-158.0 66.7 44.8 95.2 -58.9 10 10 A E S S- 0 0 97 13,-0.5 -2,-0.0 1,-0.3 14,-0.0 -0.321 83.5 -6.1-101.3 59.1 46.1 98.6 -57.7 11 11 A Y - 0 0 124 -2,-0.8 12,-3.5 1,-0.1 2,-0.6 0.345 59.8-168.0 124.1 103.8 43.1 99.5 -55.4 12 12 A T E -C 22 0B 48 10,-0.2 2,-1.4 -3,-0.2 10,-0.3 -0.811 11.3-157.1-119.2 92.2 39.8 97.5 -55.0 13 13 A K E -C 21 0B 65 8,-2.3 8,-2.9 -2,-0.6 2,-0.2 -0.493 17.1-169.0 -70.6 94.3 37.2 99.6 -53.1 14 14 A Y + 0 0 159 -2,-1.4 5,-0.0 6,-0.3 -2,-0.0 -0.575 35.1 125.9 -84.7 148.6 34.9 96.9 -51.7 15 15 A N + 0 0 81 -2,-0.2 -1,-0.2 0, 0.0 4,-0.0 0.236 63.3 63.6-165.8 -40.7 31.5 97.8 -50.1 16 16 A D S S- 0 0 61 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.995 111.4 -97.0 -61.1 -65.3 28.7 95.9 -51.8 17 17 A D S S- 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.071 99.2 -11.7 171.5 -41.4 29.8 92.3 -50.8 18 18 A D S S+ 0 0 22 13,-0.1 17,-0.1 19,-0.0 16,-0.0 0.406 123.5 73.0-145.7 -36.6 31.7 91.1 -53.9 19 19 A T + 0 0 27 17,-0.1 3,-0.1 15,-0.1 13,-0.0 0.966 67.2 150.8 -48.9 -78.2 30.9 93.7 -56.6 20 20 A F - 0 0 5 1,-0.1 11,-1.8 10,-0.1 2,-0.6 0.074 57.6 -80.7 69.7 176.3 33.1 96.6 -55.3 21 21 A T E -CD 13 30B 18 -8,-2.9 -8,-2.3 9,-0.2 2,-0.5 -0.940 46.5-155.2-120.1 106.1 34.7 99.3 -57.3 22 22 A V E -CD 12 29B 11 7,-2.2 7,-2.2 -2,-0.6 2,-0.8 -0.732 15.3-169.6 -89.0 127.2 38.0 98.1 -58.8 23 23 A K E + D 0 28B 70 -12,-3.5 -13,-0.5 -2,-0.5 5,-0.3 -0.692 55.0 100.0-109.1 72.0 40.8 100.5 -59.8 24 24 A V E > + D 0 27B 9 3,-1.2 3,-2.7 -2,-0.8 2,-0.9 -0.756 54.9 35.8-142.6-170.6 42.9 98.0 -61.7 25 25 A G T 3 S- 0 0 10 1,-0.3 -18,-0.3 -2,-0.2 -16,-0.1 -0.405 130.2 -39.3 60.3-100.8 43.9 96.8 -65.2 26 26 A D T 3 S+ 0 0 70 -2,-0.9 -1,-0.3 -20,-0.6 2,-0.3 0.204 127.3 31.7-138.9 11.4 43.7 100.1 -66.9 27 27 A K E < -D 24 0B 100 -3,-2.7 -3,-1.2 -21,-0.2 2,-0.4 -0.914 66.4-123.1-155.2-178.0 40.7 101.7 -65.3 28 28 A E E +D 23 0B 99 -5,-0.3 31,-0.4 -2,-0.3 -5,-0.3 -0.989 45.9 119.5-139.4 127.9 38.6 102.1 -62.1 29 29 A L E -D 22 0B 18 -7,-2.2 -7,-2.2 -2,-0.4 -5,-0.1 -0.991 60.5 -68.5-174.8 170.1 34.8 101.3 -61.8 30 30 A F E -D 21 0B 82 -9,-0.3 31,-1.3 -2,-0.3 2,-0.3 -0.310 45.5-164.0 -69.4 154.4 32.0 99.2 -60.1 31 31 A T + 0 0 6 -11,-1.8 2,-0.4 29,-0.2 5,-0.2 -0.928 14.2 167.0-147.9 121.8 31.9 95.6 -61.1 32 32 A N + 0 0 73 30,-0.4 -2,-0.0 -2,-0.3 -13,-0.0 -0.995 26.0 114.3-139.3 138.2 29.1 93.0 -60.6 33 33 A R S S- 0 0 107 -2,-0.4 -1,-0.1 31,-0.1 31,-0.1 0.207 88.5 -63.2-161.7 -55.1 28.5 89.5 -62.1 34 34 A W S S- 0 0 145 -16,-0.0 -15,-0.1 -15,-0.0 30,-0.0 0.244 112.9 -2.8 178.3 -26.6 28.6 86.7 -59.4 35 35 A N > + 0 0 68 -17,-0.1 4,-0.5 2,-0.0 3,-0.2 -0.131 58.3 154.4 179.5 69.2 32.1 86.5 -57.7 36 36 A L H > + 0 0 10 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.730 67.3 78.9 -78.9 -19.2 34.8 88.9 -59.2 37 37 A Q H > S+ 0 0 69 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.946 90.0 53.6 -52.6 -49.9 36.7 88.8 -55.8 38 38 A S H > S+ 0 0 67 -3,-0.2 4,-2.5 1,-0.2 5,-0.3 0.879 110.5 48.0 -54.2 -38.0 38.1 85.4 -56.7 39 39 A L H X S+ 0 0 15 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.2 0.942 112.8 46.2 -71.1 -45.7 39.4 86.9 -60.0 40 40 A L H X S+ 0 0 11 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.914 120.3 41.9 -63.0 -39.6 40.9 90.0 -58.3 41 41 A L H X S+ 0 0 94 -4,-3.2 4,-3.4 -5,-0.3 5,-0.3 0.995 114.8 46.0 -70.6 -65.9 42.5 87.8 -55.6 42 42 A S H X>S+ 0 0 36 -4,-2.5 4,-2.9 -5,-0.2 5,-0.5 0.858 113.1 56.3 -46.3 -36.8 43.8 84.8 -57.8 43 43 A A H X5S+ 0 0 0 -4,-2.0 4,-4.8 -5,-0.3 -1,-0.2 0.998 114.6 32.8 -60.7 -68.4 45.1 87.5 -60.2 44 44 A Q H <5S+ 0 0 85 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.871 119.8 55.5 -58.0 -36.0 47.4 89.4 -57.7 45 45 A I H <5S+ 0 0 130 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.978 123.3 24.4 -61.8 -54.4 48.0 86.1 -55.9 46 46 A T H <5S- 0 0 106 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.870 147.6 -50.0 -78.3 -37.7 49.3 84.4 -59.1 47 47 A G << - 0 0 24 -4,-4.8 -4,-0.1 -5,-0.5 3,-0.0 -0.112 61.6-112.7-158.1 -95.4 50.3 87.7 -60.7 48 48 A M S S+ 0 0 61 -40,-0.1 -39,-0.4 -2,-0.0 -4,-0.1 0.413 79.0 84.7 142.2 60.4 48.0 90.7 -61.0 49 49 A T + 0 0 48 20,-2.5 -41,-0.3 -42,-0.3 -9,-0.0 -0.129 43.2 156.1-176.9 67.5 46.9 91.6 -64.6 50 50 A V E -A 7 0A 5 -43,-1.9 -43,-2.1 -42,-0.1 2,-0.5 0.251 50.3 -88.8 -77.5-151.2 43.9 89.7 -66.0 51 51 A T E -AB 6 67A 36 16,-0.9 16,-1.0 -45,-0.4 2,-0.5 -0.938 34.7-163.8-131.5 113.4 41.6 91.0 -68.8 52 52 A I E +AB 5 66A 24 -47,-0.6 -47,-3.6 -2,-0.5 2,-0.3 -0.810 30.8 132.5 -97.2 129.9 38.6 93.2 -68.0 53 53 A K E +AB 4 65A 16 12,-1.0 10,-0.7 -2,-0.5 12,-0.6 -0.977 22.3 51.3-161.9 177.3 36.0 93.6 -70.7 54 54 A T S S+ 0 0 27 -51,-0.6 8,-2.2 -52,-0.5 3,-0.4 0.270 76.7 66.5 67.8 161.7 32.3 93.7 -71.9 55 55 A N S S- 0 0 87 1,-0.3 2,-2.6 7,-0.2 3,-0.4 0.959 129.1 -59.8 58.3 53.7 29.4 95.6 -70.4 56 56 A A - 0 0 87 1,-0.2 -1,-0.3 5,-0.2 5,-0.2 -0.239 62.3-139.4 75.1 -57.1 30.8 99.1 -71.3 57 57 A a S S+ 0 0 4 -2,-2.6 2,-0.3 -3,-0.4 -1,-0.2 0.780 75.7 89.2 70.7 25.5 34.0 98.5 -69.2 58 58 A H S S- 0 0 115 -3,-0.4 -1,-0.1 1,-0.2 -29,-0.1 -0.880 97.0 -8.5-155.1 117.0 33.7 102.2 -68.0 59 59 A N S S+ 0 0 149 -31,-0.4 -1,-0.2 -2,-0.3 -30,-0.1 0.972 147.9 3.0 58.0 81.9 31.8 103.4 -64.9 60 60 A G S S+ 0 0 28 -30,-0.2 2,-0.2 1,-0.1 -2,-0.2 0.984 107.6 133.7 74.2 67.5 30.0 100.1 -63.9 61 61 A G + 0 0 2 -31,-1.3 -29,-0.2 -4,-0.2 -6,-0.2 -0.738 19.0 71.0-136.2-174.5 31.5 97.9 -66.6 62 62 A G + 0 0 3 -8,-2.2 -30,-0.4 -2,-0.2 -8,-0.2 0.931 49.5 172.3 65.7 92.0 33.1 94.4 -67.1 63 63 A F - 0 0 92 -10,-0.7 -9,-0.1 -32,-0.1 -8,-0.1 0.840 63.9 -18.5 -98.1 -82.8 30.3 91.9 -66.6 64 64 A S S S+ 0 0 49 1,-0.1 2,-0.4 -31,-0.1 -10,-0.1 -0.070 108.7 87.0-122.9 39.4 31.1 88.2 -67.5 65 65 A E E +B 53 0A 86 -12,-0.6 -12,-1.0 -11,-0.1 2,-0.3 -0.852 45.3 138.0-139.2 103.2 34.3 88.3 -69.6 66 66 A V E -B 52 0A 28 -2,-0.4 2,-0.6 -14,-0.2 -14,-0.2 -0.989 38.4-143.5-146.1 135.6 37.7 88.3 -67.9 67 67 A I E -B 51 0A 83 -16,-1.0 -16,-0.9 -2,-0.3 -60,-0.2 -0.868 25.1-128.0-103.7 122.1 41.0 86.5 -68.6 68 68 A F 0 0 122 -2,-0.6 -28,-0.1 -18,-0.2 -18,-0.0 -0.379 360.0 360.0 -69.6 146.4 43.0 85.4 -65.6 69 69 A R 0 0 151 -62,-0.2 -20,-2.5 -2,-0.1 -22,-0.2 -0.867 360.0 360.0 153.1 360.0 46.7 86.3 -65.3