==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-10 2X4M . COMPND 2 MOLECULE: COAGULASE/FIBRINOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR E.EREN,M.MURPHY,J.GOGUEN,B.VAN DEN BERG . 1163 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 999 85.9 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 . 812 69.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 . 2 0.2 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 . 108 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 . 3 5 5 15 4 0 3 6 8 0 5 3 0 1 2 2 1 5 8 1 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 0 2 0 2 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 2 A S 0 0 120 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.3 -24.0 -45.8 36.3 2 3 A S - 0 0 115 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.254 360.0-167.6 159.7 81.2 -24.2 -48.9 34.1 3 4 A Q - 0 0 114 1,-0.1 2,-0.6 -2,-0.0 182,-0.1 0.082 22.7 -91.5-101.7-161.1 -24.8 -47.9 30.5 4 5 A L - 0 0 57 229,-0.1 229,-0.2 231,-0.0 -1,-0.1 -0.921 32.9-158.3-124.7 106.5 -25.7 -49.0 27.0 5 6 A I - 0 0 92 -2,-0.6 181,-0.2 1,-0.1 0, 0.0 -0.662 27.2-103.4 -91.2 138.7 -23.1 -50.1 24.5 6 7 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 231,-0.2 -0.159 27.8-133.5 -49.2 151.3 -23.5 -50.1 20.7 7 8 A N + 0 0 97 229,-2.5 2,-0.3 228,-0.1 283,-0.0 -0.632 39.7 164.8-115.0 71.4 -24.0 -53.6 19.3 8 9 A I + 0 0 77 -2,-0.5 229,-0.0 4,-0.0 284,-0.0 -0.650 8.3 169.1 -98.0 147.4 -21.6 -53.7 16.3 9 10 A S > - 0 0 47 -2,-0.3 3,-0.5 50,-0.0 50,-0.1 -0.911 38.8 -86.6-143.3 164.0 -20.5 -56.8 14.4 10 11 A P T 3 S+ 0 0 89 0, 0.0 51,-0.1 0, 0.0 3,-0.1 -0.372 107.9 32.0 -71.6 159.4 -18.5 -57.5 11.2 11 12 A D T 3 S+ 0 0 72 48,-1.6 2,-0.2 49,-0.2 50,-0.1 0.822 89.0 162.2 61.9 33.1 -20.4 -57.7 7.8 12 13 A S B < -A 59 0A 1 47,-0.8 47,-2.0 -3,-0.5 2,-0.5 -0.543 32.8-151.5 -85.4 148.3 -22.8 -55.1 9.1 13 14 A F - 0 0 91 45,-0.2 278,-3.4 -2,-0.2 279,-0.6 -0.982 17.3-169.9-115.2 133.4 -25.2 -53.0 7.0 14 15 A T E -B 290 0B 0 -2,-0.5 43,-2.8 276,-0.2 2,-0.4 -0.944 10.0-170.4-125.7 144.2 -26.1 -49.7 8.4 15 16 A V E +BC 289 56B 68 274,-2.9 274,-3.2 -2,-0.4 2,-0.4 -0.998 9.3 174.5-134.7 128.7 -28.7 -47.2 7.3 16 17 A A E -BC 288 55B 6 39,-2.6 39,-4.6 -2,-0.4 2,-0.4 -0.987 6.7-173.0-134.0 146.3 -29.1 -43.6 8.6 17 18 A A E +BC 287 54B 55 270,-2.2 270,-2.1 -2,-0.4 2,-0.3 -0.999 8.0 171.6-140.9 135.4 -31.3 -40.8 7.6 18 19 A S E -BC 286 53B 6 35,-2.6 35,-1.0 -2,-0.4 2,-0.3 -0.853 11.2-160.0-135.2 171.6 -31.3 -37.2 8.7 19 20 A T E +BC 285 52B 68 266,-2.8 266,-2.5 -2,-0.3 2,-0.3 -0.989 33.0 91.4-152.2 151.5 -33.0 -33.9 7.9 20 21 A G E -BC 284 51B 26 31,-1.9 31,-2.8 -2,-0.3 2,-0.4 -0.909 60.9 -2.9 167.2-130.7 -32.4 -30.2 8.4 21 22 A M E -BC 283 50B 80 262,-2.5 262,-2.0 -2,-0.3 2,-0.4 -0.800 35.0-165.9-112.4 130.8 -30.8 -27.1 6.9 22 23 A L E +BC 282 49B 0 27,-2.8 27,-2.4 -2,-0.4 2,-0.3 -0.954 19.4 167.1-112.0 135.0 -28.7 -26.5 3.8 23 24 A S E +B 281 0B 19 258,-2.1 258,-2.2 -2,-0.4 2,-0.3 -0.963 9.2 119.0-141.2 154.1 -26.9 -23.2 3.5 24 25 A G E -BC 280 46B 14 22,-1.4 22,-1.6 -2,-0.3 2,-0.3 -0.977 40.7-115.9 170.3-175.9 -24.1 -21.8 1.3 25 26 A K E - C 0 45B 70 254,-1.4 2,-0.2 -2,-0.3 20,-0.2 -0.927 19.7-167.1-153.4 121.6 -22.9 -19.2 -1.3 26 27 A S E - C 0 44B 0 18,-1.8 18,-1.3 -2,-0.3 2,-0.4 -0.688 8.0-147.6-107.2 162.1 -21.7 -19.6 -4.9 27 28 A H E -DC 277 43B 32 250,-1.9 250,-1.6 -2,-0.2 2,-0.5 -0.966 5.3-163.2-129.9 144.6 -19.9 -17.2 -7.3 28 29 A E E -DC 276 42B 18 14,-1.8 14,-2.1 -2,-0.4 2,-0.3 -0.947 22.2-167.1-129.3 108.9 -20.1 -16.8 -11.0 29 30 A M E -DC 275 41B 22 246,-1.4 246,-1.5 -2,-0.5 2,-0.4 -0.743 18.1-169.7-109.9 145.7 -17.2 -14.9 -12.4 30 31 A L E -DC 274 40B 68 10,-2.0 10,-2.0 -2,-0.3 9,-1.8 -0.994 19.9-179.8-130.9 124.6 -16.4 -13.3 -15.7 31 32 A Y E - C 0 38B 22 242,-1.2 2,-0.6 -2,-0.4 7,-0.2 -0.794 38.4-117.4-119.1 159.1 -12.9 -12.0 -16.4 32 33 A D > - 0 0 44 5,-2.7 4,-1.4 -2,-0.3 5,-0.3 -0.902 33.4-151.8 -84.4 123.3 -10.8 -10.4 -19.0 33 34 A A T 4 S+ 0 0 8 -2,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.928 88.5 49.8 -66.5 -50.5 -8.3 -13.2 -19.6 34 35 A E T 4 S+ 0 0 77 1,-0.2 817,-1.7 580,-0.1 816,-0.3 0.919 126.0 26.9 -51.7 -48.5 -5.3 -11.0 -20.7 35 36 A T T 4 S- 0 0 58 815,-0.2 -1,-0.2 814,-0.1 -2,-0.2 0.453 92.0-134.1-102.9 -5.5 -5.6 -8.7 -17.7 36 37 A G < + 0 0 27 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.620 55.0 151.2 60.4 10.0 -7.3 -11.0 -15.1 37 38 A R - 0 0 106 -5,-0.3 -5,-2.7 1,-0.1 2,-0.7 -0.510 49.5-119.0 -76.8 141.2 -9.5 -8.0 -14.4 38 39 A K E +C 31 0B 44 -7,-0.2 -7,-0.2 -2,-0.2 48,-0.2 -0.703 35.7 168.2 -83.1 113.5 -13.1 -8.7 -13.2 39 40 A I E + 0 0 59 -9,-1.8 47,-0.7 -2,-0.7 2,-0.3 0.664 69.5 17.1 -96.9 -18.6 -15.8 -7.5 -15.5 40 41 A S E -CE 30 85B 17 -10,-2.0 -10,-2.0 45,-0.2 2,-0.3 -0.998 52.2-179.7-151.7 150.6 -18.6 -9.4 -13.8 41 42 A Q E -CE 29 84B 26 43,-2.8 43,-3.2 -2,-0.3 2,-0.4 -0.897 7.2-166.8-149.2 122.7 -19.5 -11.2 -10.6 42 43 A L E -CE 28 83B 7 -14,-2.1 -14,-1.8 -2,-0.3 2,-0.7 -0.920 9.6-157.3-104.0 129.2 -22.9 -12.8 -9.7 43 44 A D E -CE 27 82B 18 39,-3.0 2,-1.2 -2,-0.4 39,-1.0 -0.855 7.0-172.0-115.8 98.9 -23.4 -13.8 -6.0 44 45 A W E -C 26 0B 0 -18,-1.3 -18,-1.8 -2,-0.7 37,-0.2 -0.688 10.5-167.8 -94.2 88.2 -26.0 -16.5 -5.5 45 46 A K E -C 25 0B 109 -2,-1.2 35,-1.0 35,-0.3 2,-0.4 -0.151 9.1-148.6 -64.4 164.6 -26.6 -16.9 -1.8 46 47 A I E -CF 24 79B 3 -22,-1.6 -22,-1.4 33,-0.2 2,-0.5 -0.965 8.9-163.6-136.2 126.5 -28.5 -19.8 -0.3 47 48 A K E - 0 0 66 31,-2.4 31,-0.4 -2,-0.4 58,-0.1 -0.941 57.7 -48.3-115.3 126.7 -30.7 -19.3 2.8 48 49 A N E - 0 0 88 -2,-0.5 30,-0.4 1,-0.1 2,-0.3 0.615 64.6-176.9 3.4 88.9 -31.8 -22.3 4.9 49 50 A V E -C 22 0B 2 -27,-2.4 -27,-2.8 28,-0.1 2,-0.5 -0.787 31.7-112.4 -92.6 143.3 -33.2 -24.7 2.3 50 51 A A E +C 21 0B 49 -2,-0.3 24,-2.7 -29,-0.2 25,-0.5 -0.677 43.8 179.4 -83.6 126.4 -34.7 -27.9 3.8 51 52 A I E -CG 20 73B 0 -31,-2.8 -31,-1.9 -2,-0.5 2,-0.4 -0.746 25.1-146.5-122.3 172.1 -32.8 -31.0 3.0 52 53 A L E -CG 19 72B 74 20,-1.5 20,-1.4 -2,-0.3 2,-0.2 -0.910 15.9-167.2-141.4 108.6 -32.8 -34.7 3.7 53 54 A K E -CG 18 71B 10 -35,-1.0 -35,-2.6 -2,-0.4 2,-0.3 -0.643 3.1-167.6 -90.6 152.4 -29.5 -36.7 4.0 54 55 A G E -CG 17 70B 31 16,-2.5 16,-0.9 -2,-0.2 2,-0.3 -0.996 3.0-159.2-141.8 138.6 -29.3 -40.5 3.9 55 56 A D E -C 16 0B 16 -39,-4.6 -39,-2.6 -2,-0.3 2,-0.3 -0.899 7.7-176.6-118.9 147.7 -26.5 -42.8 4.8 56 57 A I E -C 15 0B 96 12,-0.4 12,-2.1 -2,-0.3 2,-0.4 -0.957 10.5-179.9-143.4 120.5 -25.8 -46.5 3.9 57 58 A S - 0 0 12 -43,-2.8 2,-0.6 -2,-0.3 10,-0.2 -0.699 13.9-177.8-140.8 89.1 -22.8 -48.3 5.3 58 59 A W - 0 0 96 -2,-0.4 8,-3.3 -45,-0.2 -45,-0.2 -0.683 7.3-168.6 -79.0 118.6 -21.6 -51.9 4.7 59 60 A D B +A 12 0A 12 -47,-2.0 -48,-1.6 -2,-0.6 -47,-0.8 -0.730 10.9 173.7-107.0 83.0 -18.5 -52.7 6.7 60 61 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.893 74.0 25.5 -54.0 -46.9 -17.5 -56.0 5.1 61 62 A Y B > S-H 64 0B 137 3,-0.7 3,-0.9 -3,-0.2 -49,-0.1 -0.734 85.6-117.6-113.9 165.2 -14.3 -56.0 7.2 62 63 A S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.802 119.0 43.2 -73.7 -26.4 -13.7 -54.3 10.5 63 64 A F T 3 S+ 0 0 117 54,-0.1 55,-2.0 1,-0.1 2,-0.4 0.231 113.3 63.2 -97.7 10.5 -11.0 -52.2 8.9 64 65 A L E < +HI 61 117B 46 -3,-0.9 -3,-0.7 53,-0.2 2,-0.4 -0.995 53.9 175.2-144.0 129.6 -13.1 -51.5 5.8 65 66 A T E - I 0 116B 15 51,-1.6 51,-2.5 -2,-0.4 -6,-0.3 -0.980 15.3-154.6-137.9 125.8 -16.3 -49.7 5.3 66 67 A L E - I 0 115B 67 -8,-3.3 2,-0.3 -2,-0.4 49,-0.2 -0.645 22.5-169.5 -89.3 157.6 -18.1 -49.0 2.0 67 68 A N E - I 0 114B 16 47,-1.5 47,-2.2 -2,-0.2 2,-0.4 -0.991 24.2-176.8-156.1 133.2 -20.4 -46.0 2.0 68 69 A A E + I 0 113B 41 -12,-2.1 -12,-0.4 -2,-0.3 45,-0.2 -0.890 24.7 158.6-136.0 106.7 -23.0 -44.4 -0.1 69 70 A R E + I 0 112B 43 43,-2.4 43,-2.6 -2,-0.4 2,-0.2 -0.634 1.3 146.7-118.0 178.7 -24.5 -41.1 1.2 70 71 A G E -GI 54 111B 16 -16,-0.9 -16,-2.5 41,-0.3 2,-0.3 -0.865 23.7-145.5 162.6 159.1 -26.2 -38.2 -0.3 71 72 A W E -GI 53 110B 8 39,-1.8 39,-2.4 -18,-0.3 2,-0.3 -0.967 9.5-153.1-145.3 164.5 -28.9 -35.5 0.3 72 73 A T E -GI 52 109B 64 -20,-1.4 -20,-1.5 -2,-0.3 37,-0.3 -0.991 27.8-102.8-144.7 148.5 -31.5 -33.7 -1.5 73 74 A S E -G 51 0B 12 35,-3.2 -22,-0.2 -2,-0.3 3,-0.1 -0.493 26.3-152.0 -55.5 126.7 -33.5 -30.5 -1.6 74 75 A L S S- 0 0 98 -24,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.831 70.2 -27.6 -74.8 -33.7 -37.0 -31.3 -0.2 75 76 A A S S- 0 0 64 -25,-0.5 -1,-0.3 30,-0.1 -25,-0.2 -0.979 92.2 -46.1-165.5 175.4 -38.5 -28.5 -2.3 76 77 A S S S- 0 0 72 -2,-0.3 30,-0.2 -3,-0.1 2,-0.2 -0.261 70.0-165.0 -49.2 131.5 -37.9 -25.1 -4.0 77 78 A G E -J 105 0B 14 28,-2.3 28,-3.0 -28,-0.1 2,-0.4 -0.641 20.8 -74.5-126.7 179.9 -36.1 -23.0 -1.4 78 79 A S E +J 104 0B 62 -31,-0.4 -31,-2.4 -30,-0.4 2,-0.2 -0.575 55.9 147.9 -82.0 124.3 -35.1 -19.5 -0.3 79 80 A G B -F 46 0B 2 24,-1.9 24,-0.4 -2,-0.4 2,-0.3 -0.549 27.2-148.6-133.2-160.1 -32.2 -17.8 -2.1 80 81 A N - 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