==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-12 4DCB . COMPND 2 MOLECULE: COAGULASE/FIBRINOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR E.EREN,B.VAN DEN BERG . 288 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 83.7 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 . 204 70.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0 1 1 1 0 0 3 3 0 1 1 0 0 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 5 A L 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 -2.8 29.3 65.2 2 6 A I - 0 0 141 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.671 360.0-115.9 -86.8 123.7 -1.3 25.8 65.2 3 7 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 55,-0.2 -0.117 33.7 -94.4 -61.0 153.1 -3.3 23.3 63.2 4 8 A N + 0 0 65 53,-2.9 52,-0.1 52,-0.2 54,-0.0 -0.524 40.7 177.2 -65.7 121.5 -4.9 20.3 64.9 5 9 A I + 0 0 134 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.0 0.296 32.8 131.1-111.2 9.4 -2.5 17.4 64.5 6 10 A S > - 0 0 52 1,-0.1 3,-2.7 2,-0.1 4,-0.2 -0.337 68.7-120.0 -59.3 139.3 -4.6 14.9 66.5 7 11 A P G > S+ 0 0 80 0, 0.0 3,-1.9 0, 0.0 270,-0.6 0.864 112.8 62.4 -48.6 -38.5 -5.0 11.5 64.7 8 12 A D G 3 S+ 0 0 89 1,-0.3 270,-0.1 268,-0.1 -2,-0.1 0.516 88.6 69.9 -74.6 1.3 -8.8 12.1 64.8 9 13 A S G < S+ 0 0 5 -3,-2.7 47,-2.4 46,-0.1 2,-0.4 0.465 93.2 76.7 -84.3 -0.2 -8.4 15.2 62.6 10 14 A F E < +A 55 0A 70 -3,-1.9 267,-2.2 45,-0.2 2,-0.4 -0.917 55.7 176.1-123.7 134.0 -7.4 12.8 59.8 11 15 A T E -AB 54 276A 3 43,-2.7 43,-2.9 -2,-0.4 2,-0.3 -0.997 6.6-168.7-138.5 136.6 -9.6 10.6 57.6 12 16 A V E -AB 53 275A 43 263,-2.8 263,-3.6 -2,-0.4 2,-0.3 -0.951 6.6-175.7-123.3 149.2 -8.8 8.4 54.6 13 17 A A E -AB 52 274A 16 39,-2.6 39,-2.2 -2,-0.3 2,-0.3 -0.988 8.0-177.4-141.3 151.6 -11.1 6.7 52.2 14 18 A A E +AB 51 273A 51 259,-2.0 259,-2.2 -2,-0.3 2,-0.3 -0.988 9.0 170.6-143.3 140.5 -10.9 4.2 49.3 15 19 A S E -AB 50 272A 7 35,-2.3 35,-2.9 -2,-0.3 2,-0.3 -0.966 15.8-150.2-142.3 162.7 -13.6 2.9 47.0 16 20 A T E +AB 49 271A 79 255,-2.1 255,-2.2 -2,-0.3 2,-0.3 -0.939 38.1 101.8-128.5 155.9 -13.8 0.8 43.8 17 21 A G E -AB 48 270A 23 31,-1.8 31,-2.8 -2,-0.3 2,-0.3 -0.946 59.1 -41.4 169.8-142.7 -16.4 0.8 41.0 18 22 A M E -AB 47 269A 106 251,-2.3 251,-2.0 -2,-0.3 2,-0.4 -0.882 27.3-158.5-128.0 148.4 -16.9 2.0 37.5 19 23 A L E +AB 46 268A 0 27,-2.4 27,-1.4 -2,-0.3 2,-0.3 -0.932 20.9 163.1-117.2 142.4 -16.4 5.1 35.3 20 24 A S E + B 0 267A 42 247,-2.0 247,-2.8 -2,-0.4 2,-0.3 -0.951 11.3 115.7-150.8 168.4 -18.3 5.8 32.1 21 25 A G E -AB 43 266A 10 22,-2.2 22,-2.8 -2,-0.3 2,-0.3 -0.993 45.7 -97.8 160.8-165.8 -19.0 8.8 29.9 22 26 A K E -AB 42 265A 46 243,-2.1 243,-1.8 -2,-0.3 2,-0.3 -0.961 20.7-162.0-156.7 134.1 -18.5 10.4 26.5 23 27 A S E -AB 41 264A 0 18,-3.3 18,-2.8 -2,-0.3 2,-0.4 -0.823 7.6-148.6-115.2 159.3 -16.1 12.9 24.9 24 28 A H E -AB 40 263A 46 239,-2.1 239,-2.2 -2,-0.3 2,-0.6 -0.995 6.9-165.5-132.2 134.7 -16.2 15.0 21.8 25 29 A E E -AB 39 262A 17 14,-2.4 14,-2.6 -2,-0.4 2,-0.3 -0.971 29.4-173.3-118.3 106.6 -13.4 16.1 19.6 26 30 A M E -AB 38 261A 13 235,-2.8 235,-1.8 -2,-0.6 2,-0.4 -0.751 20.4-168.7-116.8 151.2 -14.9 18.8 17.4 27 31 A L E -AB 37 260A 32 10,-2.5 9,-2.0 -2,-0.3 10,-1.8 -1.000 9.9-179.7-139.1 137.9 -13.9 21.0 14.4 28 32 A Y E -A 35 0A 56 231,-2.2 2,-0.5 -2,-0.4 7,-0.2 -0.958 38.2-101.6-135.3 150.2 -15.6 24.0 12.9 29 33 A D > - 0 0 52 5,-2.8 4,-2.5 -2,-0.3 230,-0.3 -0.628 33.0-140.1 -67.4 120.5 -15.1 26.4 10.0 30 34 A A T 4 S+ 0 0 64 228,-0.5 -1,-0.1 -2,-0.5 229,-0.1 0.373 96.0 42.7 -71.5 7.6 -13.7 29.5 11.8 31 35 A E T 4 S+ 0 0 165 3,-0.1 -1,-0.2 228,-0.0 228,-0.0 0.720 128.6 20.1-116.1 -47.4 -15.8 31.8 9.5 32 36 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.641 92.8-129.1 -97.1 -19.9 -19.2 30.3 9.2 33 37 A G < + 0 0 44 -4,-2.5 -3,-0.1 1,-0.3 3,-0.1 0.411 49.7 162.8 82.1 -1.5 -19.0 28.1 12.4 34 38 A R - 0 0 60 -6,-0.1 -5,-2.8 1,-0.1 2,-0.6 -0.252 44.7-117.7 -52.5 129.0 -20.1 25.2 10.2 35 39 A K E +A 28 0A 75 -7,-0.2 -7,-0.3 1,-0.2 -1,-0.1 -0.605 41.3 167.7 -70.5 116.5 -19.3 21.9 11.9 36 40 A I E + 0 0 28 -9,-2.0 47,-3.0 -2,-0.6 2,-0.3 0.676 60.9 25.6-103.5 -23.4 -16.9 20.1 9.6 37 41 A S E +AC 27 82A 5 -10,-1.8 -10,-2.5 45,-0.2 2,-0.3 -0.997 53.6 175.4-149.0 142.9 -15.7 17.3 11.9 38 42 A Q E -AC 26 81A 31 43,-2.6 43,-2.9 -2,-0.3 2,-0.5 -0.908 3.7-176.9-149.1 112.1 -16.9 15.3 14.9 39 43 A L E -AC 25 80A 2 -14,-2.6 -14,-2.4 -2,-0.3 2,-0.6 -0.959 13.2-157.4-110.9 122.9 -15.3 12.4 16.7 40 44 A D E -AC 24 79A 25 39,-2.8 39,-1.9 -2,-0.5 2,-0.6 -0.884 5.6-164.5-100.8 122.0 -17.3 10.9 19.6 41 45 A W E -AC 23 78A 0 -18,-2.8 -18,-3.3 -2,-0.6 2,-0.3 -0.923 8.7-157.3-112.9 114.0 -15.2 9.0 22.1 42 46 A K E -AC 22 77A 66 35,-3.4 35,-1.0 -2,-0.6 2,-0.6 -0.669 14.7-158.8 -96.5 142.3 -17.1 6.7 24.4 43 47 A I E +AC 21 76A 2 -22,-2.8 -22,-2.2 -2,-0.3 33,-0.2 -0.932 23.5 165.7-110.9 102.2 -16.1 5.4 27.8 44 48 A K E - 0 0 113 31,-1.6 2,-0.3 -2,-0.6 32,-0.2 0.949 64.5 -4.2 -84.3 -52.4 -18.3 2.3 28.3 45 49 A N E + C 0 75A 75 30,-1.5 30,-2.0 -25,-0.1 2,-0.4 -0.888 61.3 162.0-150.5 113.3 -16.7 0.5 31.2 46 50 A V E -A 19 0A 0 -27,-1.4 -27,-2.4 -2,-0.3 2,-0.3 -0.993 33.0-133.3-130.8 126.2 -13.5 1.3 33.1 47 51 A A E -A 18 0A 46 -2,-0.4 24,-2.9 25,-0.2 25,-0.6 -0.631 34.0-170.3 -74.2 130.3 -12.8 -0.2 36.5 48 52 A I E -AD 17 70A 0 -31,-2.8 -31,-1.8 -2,-0.3 2,-0.4 -0.916 25.2-150.0-125.9 155.5 -11.6 2.6 38.9 49 53 A L E -AD 16 69A 71 20,-2.4 20,-2.3 -2,-0.3 2,-0.4 -0.982 20.1-161.3-116.9 136.4 -10.1 3.0 42.3 50 54 A K E -AD 15 68A 8 -35,-2.9 -35,-2.3 -2,-0.4 2,-0.3 -0.943 6.6-170.1-123.2 134.9 -10.9 6.2 44.1 51 55 A G E -AD 14 67A 33 16,-2.7 16,-2.0 -2,-0.4 2,-0.3 -0.906 5.8-173.3-127.9 156.2 -9.0 7.7 47.0 52 56 A D E -AD 13 66A 24 -39,-2.2 -39,-2.6 -2,-0.3 2,-0.4 -0.983 7.5-175.1-151.0 132.6 -9.5 10.5 49.5 53 57 A I E -AD 12 65A 83 12,-2.4 12,-2.8 -2,-0.3 2,-0.4 -0.999 14.7-178.4-126.7 126.4 -7.4 12.0 52.2 54 58 A S E -AD 11 64A 23 -43,-2.9 -43,-2.7 -2,-0.4 2,-0.4 -0.993 6.9-174.4-133.1 135.1 -9.0 14.7 54.4 55 59 A W E -AD 10 63A 75 8,-3.0 8,-3.6 -2,-0.4 -45,-0.2 -0.991 15.7-155.6-130.1 132.4 -7.6 16.8 57.2 56 60 A D E + 0 0 36 -47,-2.4 -52,-0.2 -2,-0.4 6,-0.2 -0.743 18.8 169.9-103.9 82.0 -9.3 19.2 59.6 57 61 A P E S+ 0 0 6 0, 0.0 -53,-2.9 0, 0.0 2,-0.3 0.841 75.5 14.9 -60.4 -30.3 -6.5 21.6 60.7 58 62 A Y E > S- D 0 61A 66 3,-1.2 3,-1.3 -55,-0.2 -3,-0.0 -0.925 85.4-106.6-137.7 162.9 -9.2 23.8 62.2 59 63 A S T 3 S+ 0 0 105 -2,-0.3 -1,-0.0 1,-0.3 56,-0.0 0.817 121.9 39.9 -57.7 -31.1 -12.9 23.4 63.2 60 64 A F T 3 S+ 0 0 115 1,-0.1 55,-2.1 54,-0.1 2,-0.4 0.381 111.2 65.2 -99.4 2.1 -13.9 25.6 60.2 61 65 A L E < -DE 58 114A 44 -3,-1.3 -3,-1.2 53,-0.2 2,-0.4 -0.986 50.9-178.0-139.3 128.8 -11.4 24.3 57.7 62 66 A T E - E 0 113A 4 51,-2.2 51,-2.1 -2,-0.4 2,-0.5 -0.978 12.6-154.9-122.4 134.6 -10.8 21.0 55.9 63 67 A L E -DE 55 112A 65 -8,-3.6 -8,-3.0 -2,-0.4 2,-0.4 -0.945 20.7-172.5-107.7 137.0 -8.0 20.3 53.4 64 68 A N E -DE 54 111A 9 47,-2.8 47,-2.6 -2,-0.5 2,-0.5 -0.988 21.0-174.3-137.6 130.7 -8.8 17.5 51.0 65 69 A A E +DE 53 110A 45 -12,-2.8 -12,-2.4 -2,-0.4 2,-0.3 -0.989 26.2 156.7-119.8 123.3 -6.9 15.5 48.3 66 70 A R E +DE 52 109A 41 43,-2.5 43,-2.8 -2,-0.5 2,-0.3 -0.946 2.3 134.3-141.5 162.4 -9.0 13.1 46.2 67 71 A G E -DE 51 108A 13 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.3 -0.982 30.2-129.0 179.0-178.8 -8.9 11.4 42.9 68 72 A W E -DE 50 107A 6 39,-1.9 39,-2.1 -2,-0.3 2,-0.3 -0.973 12.1-162.8-149.4 163.5 -9.4 8.2 41.0 69 73 A T E -DE 49 106A 50 -20,-2.3 -20,-2.4 -2,-0.3 37,-0.2 -0.994 30.2-102.1-148.4 148.3 -7.6 6.1 38.5 70 74 A S E -D 48 0A 16 35,-2.1 -22,-0.3 -2,-0.3 3,-0.1 -0.473 21.7-151.7 -67.3 139.2 -8.4 3.4 36.0 71 75 A L S S- 0 0 100 -24,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.699 73.8 -17.5 -84.9 -23.2 -7.3 -0.1 37.3 72 76 A A S S- 0 0 62 -25,-0.6 -1,-0.3 30,-0.1 -25,-0.2 -0.955 94.6 -55.0-166.1 172.6 -6.7 -1.4 33.8 73 77 A S - 0 0 72 -2,-0.3 30,-0.2 -3,-0.1 2,-0.2 -0.290 59.7-162.4 -55.9 141.5 -7.6 -0.8 30.2 74 78 A G E - F 0 102A 12 28,-2.6 28,-2.4 -28,-0.1 2,-0.3 -0.666 19.9 -88.1-124.1-180.0 -11.4 -0.5 29.7 75 79 A S E +CF 45 101A 48 -30,-2.0 -31,-1.6 26,-0.2 -30,-1.5 -0.654 48.7 151.3 -97.0 149.4 -13.8 -0.7 26.8 76 80 A G E -CF 43 100A 1 24,-2.0 24,-0.8 22,-0.3 2,-0.3 -0.782 27.8-134.8-151.7-164.8 -14.9 2.2 24.7 77 81 A N E -C 42 0A 30 -35,-1.0 -35,-3.4 -2,-0.2 2,-0.3 -0.973 9.8-158.8-158.5 153.3 -16.1 3.2 21.2 78 82 A M E -CF 41 97A 0 19,-0.8 19,-2.7 -2,-0.3 2,-0.4 -0.991 4.8-172.0-143.2 139.9 -15.4 5.9 18.7 79 83 A D E -CF 40 96A 21 -39,-1.9 -39,-2.8 -2,-0.3 2,-0.5 -0.998 7.9-161.7-128.9 138.2 -17.3 7.4 15.7 80 84 A N E +CF 39 95A 0 15,-2.4 15,-1.9 -2,-0.4 2,-0.4 -0.959 11.3 178.1-125.7 109.6 -15.8 9.8 13.3 81 85 A Y E -CF 38 94A 49 -43,-2.9 -43,-2.6 -2,-0.5 2,-0.4 -0.915 5.3-169.6-114.6 138.3 -18.0 12.0 11.1 82 86 A D E -CF 37 93A 0 11,-2.2 10,-2.5 -2,-0.4 11,-1.9 -0.994 16.6-156.8-130.8 137.7 -16.8 14.6 8.6 83 87 A W + 0 0 28 -47,-3.0 8,-0.1 -2,-0.4 -46,-0.1 -0.731 27.4 159.2-109.2 76.7 -18.8 17.2 6.7 84 88 A M + 0 0 55 -2,-0.7 2,-0.8 1,-0.1 -1,-0.2 0.737 56.8 75.0 -71.8 -25.4 -16.5 17.9 3.7 85 89 A N > - 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