==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-JUN-03 1PM4 . COMPND 2 MOLECULE: YPM; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR R.DONADINI,C.W.LIEW,A.H.KWAN,J.P.MACKAY,B.A.FIELDS . 351 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 63.2 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 . 148 42.2 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 . 2 0.6 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 . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 5.4 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 . 4 0 2 3 2 5 5 3 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 0 0 0 0 0 0 3 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 15 A I 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.5 39.1 -2.2 -5.3 2 16 A P - 0 0 103 0, 0.0 2,-0.8 0, 0.0 99,-0.0 -0.069 360.0-140.3 -62.4 141.5 39.2 1.7 -5.0 3 17 A N + 0 0 72 99,-0.3 99,-2.7 102,-0.0 2,-0.5 -0.871 27.3 176.1-100.2 106.7 42.2 3.8 -5.9 4 18 A I E -A 101 0A 68 -2,-0.8 2,-0.3 97,-0.3 97,-0.3 -0.965 6.1-171.0-111.4 127.6 42.5 6.6 -3.3 5 19 A A E -A 100 0A 14 95,-2.8 95,-2.7 -2,-0.5 2,-0.5 -0.771 16.8-131.4-107.1 167.8 45.5 9.0 -3.5 6 20 A T E -A 99 0A 56 -2,-0.3 2,-0.5 93,-0.2 93,-0.2 -0.973 13.1-163.1-124.8 121.0 46.6 11.6 -1.0 7 21 A Y E -A 98 0A 9 91,-2.7 91,-3.0 -2,-0.5 2,-0.4 -0.875 13.5-170.2 -93.9 133.4 47.5 15.1 -2.0 8 22 A T E +A 97 0A 90 -2,-0.5 2,-0.3 89,-0.2 89,-0.2 -0.918 22.0 117.0-126.0 146.3 49.4 17.1 0.5 9 23 A G E -A 96 0A 19 87,-2.3 87,-2.6 -2,-0.4 2,-0.4 -0.948 54.6 -86.7-173.4-162.2 50.3 20.7 0.6 10 24 A T E -A 95 0A 100 -2,-0.3 2,-0.5 85,-0.3 85,-0.3 -0.989 28.7-157.2-131.3 134.6 50.0 24.0 2.4 11 25 A I E -A 94 0A 2 83,-3.2 83,-2.4 -2,-0.4 3,-0.1 -0.972 17.7-131.1-120.4 120.4 47.2 26.5 1.8 12 26 A Q > - 0 0 142 -2,-0.5 3,-2.4 81,-0.2 76,-0.2 -0.206 45.5 -67.4 -61.5 159.5 47.7 30.1 2.7 13 27 A G T 3 S- 0 0 26 78,-0.4 78,-0.3 1,-0.3 -1,-0.2 -0.254 121.1 -2.5 -47.5 131.7 45.2 32.1 4.7 14 28 A K T 3 S+ 0 0 105 76,-2.5 -1,-0.3 1,-0.2 77,-0.1 0.365 103.9 142.5 60.5 7.7 41.9 32.6 2.8 15 29 A G < - 0 0 20 -3,-2.4 73,-3.0 75,-0.2 2,-0.4 -0.089 41.4-147.5 -76.0 166.1 43.4 30.7 -0.1 16 30 A E E -I 87 0B 91 71,-0.2 2,-0.4 -3,-0.1 71,-0.2 -0.998 10.6-171.3-131.8 138.6 41.7 28.3 -2.5 17 31 A V E -I 86 0B 30 69,-2.4 69,-3.1 -2,-0.4 2,-0.4 -0.998 7.0-157.7-131.3 130.3 43.3 25.3 -4.1 18 32 A a E -I 85 0B 1 94,-0.4 94,-2.8 -2,-0.4 2,-0.5 -0.946 3.9-167.1-115.3 136.2 41.6 23.1 -6.8 19 33 A I E -IJ 84 111B 0 65,-2.4 65,-2.8 -2,-0.4 2,-0.3 -0.975 13.5-145.9-123.2 123.4 42.6 19.6 -7.6 20 34 A I E -I 83 0B 21 90,-2.9 2,-0.3 -2,-0.5 63,-0.2 -0.702 10.9-164.8 -94.6 148.8 41.3 18.0 -10.8 21 35 A G E S+I 82 0B 7 61,-2.6 61,-1.9 -2,-0.3 4,-0.1 -0.948 70.0 8.5-128.5 150.9 40.4 14.3 -11.3 22 36 A N S > S+ 0 0 12 -2,-0.3 3,-2.5 59,-0.2 -1,-0.2 0.918 74.8 178.9 49.5 51.8 39.8 12.3 -14.4 23 37 A K T 3 S+ 0 0 75 1,-0.3 58,-0.2 -3,-0.2 -1,-0.1 0.874 72.8 50.3 -68.4 -36.5 41.0 15.2 -16.4 24 38 A E T 3 S- 0 0 113 56,-0.1 -1,-0.3 1,-0.1 55,-0.1 0.380 111.2-120.4 -72.5 4.7 40.7 13.7 -19.9 25 39 A G < - 0 0 25 -3,-2.5 54,-0.5 -4,-0.1 2,-0.1 0.939 42.7-178.4 51.1 52.8 37.1 12.6 -19.0 26 40 A K - 0 0 77 54,-0.1 54,-0.5 1,-0.1 2,-0.2 -0.501 38.6 -90.9 -71.9 153.6 37.6 8.9 -19.5 27 41 A T + 0 0 97 52,-0.2 2,-0.3 -2,-0.1 52,-0.1 -0.500 59.7 156.7 -72.9 133.4 34.4 6.9 -18.9 28 42 A R - 0 0 66 48,-0.4 2,-0.3 -2,-0.2 48,-0.1 -0.990 24.3-161.6-150.2 152.0 33.8 5.7 -15.3 29 43 A G + 0 0 32 -2,-0.3 2,-0.3 46,-0.1 46,-0.2 -0.989 47.4 51.2-134.9 137.3 31.1 4.6 -13.0 30 44 A G E S-B 74 0A 12 44,-2.9 44,-2.2 -2,-0.3 2,-0.4 -0.983 83.8 -19.0 146.5-153.5 30.9 4.3 -9.3 31 45 A E E -B 73 0A 58 -2,-0.3 2,-0.5 42,-0.2 42,-0.2 -0.676 39.7-155.4 -95.3 137.5 31.7 6.3 -6.1 32 46 A L E -B 72 0A 2 40,-2.7 40,-2.0 -2,-0.4 2,-0.4 -0.901 22.9-176.9 -98.1 137.1 33.8 9.3 -5.9 33 47 A Y E +B 71 0A 54 -2,-0.5 68,-2.6 38,-0.2 2,-0.3 -0.990 10.9 159.8-135.9 140.9 35.2 9.8 -2.4 34 48 A A E -BC 70 100A 0 36,-1.8 36,-2.6 -2,-0.4 2,-0.3 -0.971 13.7-171.4-155.0 152.4 37.3 12.4 -0.8 35 49 A V E - C 0 99A 3 64,-2.3 64,-2.4 -2,-0.3 2,-0.4 -0.970 16.3-142.3-143.7 134.5 38.1 13.7 2.7 36 50 A L E + C 0 98A 0 -2,-0.3 31,-2.9 29,-0.3 2,-0.3 -0.814 25.5 171.6 -93.9 135.5 40.0 16.8 3.7 37 51 A H E - C 0 97A 63 60,-2.9 60,-2.3 -2,-0.4 2,-0.3 -0.900 14.0-162.4-137.2 167.6 42.3 16.8 6.7 38 52 A S - 0 0 24 -2,-0.3 58,-0.1 58,-0.2 5,-0.1 -0.978 27.5-140.4-151.1 139.2 45.0 19.1 8.2 39 53 A T S S+ 0 0 114 -2,-0.3 2,-0.8 3,-0.1 57,-0.1 0.562 88.8 93.3 -68.4 -12.1 47.8 18.6 10.8 40 54 A N > - 0 0 28 55,-0.4 3,-2.0 1,-0.2 -2,-0.1 -0.782 69.4-158.6 -78.0 109.8 46.6 22.0 12.0 41 55 A V T 3 S+ 0 0 136 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.771 91.3 51.7 -67.0 -21.8 44.2 20.9 14.7 42 56 A N T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.285 80.5 142.4 -94.5 10.1 42.5 24.3 14.5 43 57 A A < - 0 0 15 -3,-2.0 2,-0.5 -5,-0.1 -5,-0.1 -0.210 33.4-165.5 -60.7 141.5 42.0 24.2 10.7 44 58 A D + 0 0 87 48,-0.2 45,-2.2 21,-0.0 46,-1.1 -0.941 30.0 144.8-128.4 97.7 38.8 25.6 9.3 45 59 A M E -K 88 0B 1 -2,-0.5 21,-1.6 43,-0.2 2,-0.4 -0.954 36.0-143.6-138.6 153.7 38.3 24.5 5.6 46 60 A T E -KL 87 65B 18 41,-2.2 41,-2.7 -2,-0.3 2,-0.5 -0.976 7.4-152.7-120.1 138.0 35.6 23.6 3.2 47 61 A L E -KL 86 64B 1 17,-2.9 17,-2.6 -2,-0.4 2,-0.4 -0.959 14.2-172.2-109.5 126.8 35.7 20.9 0.5 48 62 A I E -KL 85 63B 2 37,-2.7 37,-3.2 -2,-0.5 2,-0.6 -0.962 14.4-147.0-122.7 127.4 33.5 21.4 -2.5 49 63 A L E -KL 84 62B 0 13,-2.6 12,-3.3 -2,-0.4 13,-0.9 -0.869 20.6-172.0 -90.1 119.1 33.0 18.9 -5.3 50 64 A L E -KL 83 60B 0 33,-3.3 33,-2.5 -2,-0.6 2,-0.4 -0.922 5.5-162.1-109.9 146.1 32.5 20.4 -8.7 51 65 A R E -KL 82 59B 20 8,-2.5 8,-2.4 -2,-0.4 2,-0.6 -0.944 27.3-118.1-121.1 146.4 31.4 18.7 -11.9 52 66 A N E - L 0 58B 39 29,-1.4 6,-0.2 -2,-0.4 29,-0.0 -0.759 34.9-154.3 -82.3 122.7 31.7 19.9 -15.5 53 67 A V - 0 0 46 4,-2.6 -1,-0.2 -2,-0.6 5,-0.1 0.899 59.9 -42.6 -80.8 -55.0 28.0 19.9 -16.3 54 68 A G S S- 0 0 56 3,-0.3 -1,-0.1 235,-0.0 4,-0.1 0.089 100.0 -65.8-157.4 32.6 27.6 19.5 -20.1 55 69 A G S S+ 0 0 64 2,-0.3 3,-0.1 0, 0.0 -3,-0.0 0.339 117.4 110.3 84.4 -0.2 30.4 21.7 -21.4 56 70 A N S S- 0 0 64 1,-0.3 257,-1.7 256,-0.1 258,-0.4 0.736 89.3 -93.3 -77.6 -19.0 28.2 24.4 -19.9 57 71 A G E - M 0 312B 11 255,-0.2 -4,-2.6 256,-0.1 2,-0.4 -0.927 56.9 -42.1 133.0-164.2 30.8 25.1 -17.2 58 72 A W E -LM 52 311B 41 253,-1.5 253,-2.7 -2,-0.3 2,-0.4 -0.839 48.9-177.4-109.3 141.0 31.4 23.9 -13.7 59 73 A G E -LM 51 310B 3 -8,-2.4 -8,-2.5 -2,-0.4 251,-0.2 -0.997 29.5-108.8-139.3 138.8 28.8 23.4 -10.9 60 74 A E E -L 50 0B 7 249,-2.4 -10,-0.3 -2,-0.4 3,-0.1 -0.316 24.7-178.1 -62.8 133.4 28.9 22.3 -7.3 61 75 A I E - 0 0 41 -12,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.810 65.3 -39.3 -88.2 -53.6 27.5 18.9 -6.5 62 76 A K E -L 49 0B 46 -13,-0.9 -13,-2.6 118,-0.0 -1,-0.4 -0.959 53.3-143.8-164.7 173.1 28.0 19.0 -2.7 63 77 A R E -L 48 0B 54 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.961 9.2-172.1-145.9 159.2 30.3 20.2 0.0 64 78 A N E -L 47 0B 46 -17,-2.6 -17,-2.9 -2,-0.3 3,-0.1 -0.987 27.0-105.8-148.6 160.9 31.6 19.2 3.4 65 79 A D E > -L 46 0B 99 -2,-0.3 3,-1.8 -19,-0.2 -29,-0.3 -0.321 58.6 -68.3 -76.2 169.4 33.6 20.6 6.3 66 80 A I T 3 S+ 0 0 25 -21,-1.6 -29,-0.2 1,-0.2 -1,-0.2 -0.227 122.7 19.6 -51.4 139.2 37.1 19.4 7.0 67 81 A D T 3 S+ 0 0 88 -31,-2.9 -1,-0.2 1,-0.1 -30,-0.1 0.325 98.6 109.2 76.7 -2.5 37.3 15.8 8.3 68 82 A K < - 0 0 116 -3,-1.8 -32,-0.3 -32,-0.1 -1,-0.1 -0.911 69.0-127.4-102.8 115.2 33.8 14.9 6.9 69 83 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -34,-0.2 -0.275 12.9-147.0 -67.2 146.4 34.0 12.6 3.8 70 84 A L E -B 34 0A 1 -36,-2.6 -36,-1.8 -6,-0.1 2,-0.4 -0.975 18.8-178.3-111.0 122.6 32.2 13.5 0.6 71 85 A K E +B 33 0A 75 -2,-0.5 2,-0.3 -38,-0.2 -38,-0.2 -0.979 5.5 170.0-125.8 142.8 30.8 10.6 -1.4 72 86 A Y E -B 32 0A 10 -40,-2.0 -40,-2.7 -2,-0.4 2,-0.5 -0.956 21.0-144.3-155.1 128.4 29.0 10.8 -4.7 73 87 A E E +B 31 0A 4 -2,-0.3 105,-2.6 -42,-0.2 2,-0.4 -0.865 18.7 176.2-103.9 132.0 27.9 8.1 -7.2 74 88 A D E +BD 30 177A 8 -44,-2.2 -44,-2.9 -2,-0.5 103,-0.2 -0.993 15.1 171.3-131.2 131.0 28.0 8.6 -10.9 75 89 A Y E + D 0 176A 23 101,-3.0 101,-0.5 -2,-0.4 102,-0.2 -0.055 29.4 149.5-127.4 26.9 27.1 6.0 -13.6 76 90 A Y E - D 0 175A 27 99,-0.2 -48,-0.4 -48,-0.1 99,-0.2 -0.318 45.6-141.5 -65.0 144.4 27.2 8.3 -16.6 77 91 A T S S+ 0 0 98 97,-2.5 2,-0.3 -50,-0.1 -1,-0.1 0.912 86.7 65.3 -79.2 -39.2 28.2 6.7 -19.9 78 92 A S S S- 0 0 74 96,-0.4 -50,-0.2 -51,-0.1 -52,-0.1 -0.627 94.1-117.1 -79.9 137.7 30.2 9.8 -21.1 79 93 A G - 0 0 9 -54,-0.5 2,-0.3 -2,-0.3 -52,-0.2 -0.405 34.7-174.7 -73.3 152.6 33.2 10.4 -18.9 80 94 A L - 0 0 40 -54,-0.5 2,-0.2 -4,-0.1 -54,-0.1 -0.995 18.8-125.6-149.1 151.8 33.5 13.7 -17.0 81 95 A S - 0 0 14 -2,-0.3 -29,-1.4 -58,-0.2 2,-0.3 -0.489 21.1-157.9 -95.0 163.7 36.0 15.4 -14.9 82 96 A W E -IK 21 51B 1 -61,-1.9 -61,-2.6 -31,-0.2 2,-0.4 -0.943 4.7-145.1-136.0 159.3 35.6 16.6 -11.5 83 97 A I E -IK 20 50B 2 -33,-2.5 -33,-3.3 -2,-0.3 2,-0.7 -0.996 4.1-152.1-128.1 133.9 37.3 19.2 -9.2 84 98 A W E -IK 19 49B 4 -65,-2.8 -65,-2.4 -2,-0.4 2,-0.6 -0.926 18.7-160.8 -93.3 115.0 37.9 19.2 -5.5 85 99 A K E -IK 18 48B 6 -37,-3.2 -37,-2.7 -2,-0.7 2,-0.6 -0.921 2.0-161.5-102.5 124.1 38.0 22.8 -4.3 86 100 A I E -IK 17 47B 0 -69,-3.1 -69,-2.4 -2,-0.6 2,-0.5 -0.926 6.7-168.2-103.6 120.3 39.6 23.4 -1.0 87 101 A K E -IK 16 46B 48 -41,-2.7 -41,-2.2 -2,-0.6 2,-0.8 -0.944 15.0-145.7-111.9 125.1 38.8 26.7 0.6 88 102 A N E - K 0 45B 0 -73,-3.0 -43,-0.2 -2,-0.5 -74,-0.2 -0.820 15.4-177.0 -86.5 107.1 40.7 27.9 3.7 89 103 A N + 0 0 48 -45,-2.2 2,-0.2 -2,-0.8 -44,-0.2 0.655 61.7 77.5 -77.4 -19.0 38.1 29.8 5.8 90 104 A S S S- 0 0 27 -46,-1.1 -76,-2.5 2,-0.2 -75,-0.2 -0.545 79.3-133.8 -87.6 155.6 40.8 30.8 8.3 91 105 A S S S+ 0 0 88 -78,-0.3 2,-0.5 -2,-0.2 -78,-0.4 0.536 81.1 102.9 -78.4 -9.2 43.4 33.5 8.0 92 106 A E S S- 0 0 95 -80,-0.1 -2,-0.2 -48,-0.1 2,-0.2 -0.663 78.2-126.0 -81.7 120.7 45.9 30.9 9.3 93 107 A T - 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