==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-05 1X2B . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR Y.NAKAJIMA,K.ITO,M.SAKATA,Y.XU,F.MATSUBARA,S.HATAKEYAMA, . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.8 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 . 1 0.3 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 2 1 1 0 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 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 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L 0 0 160 0, 0.0 2,-0.1 0, 0.0 298,-0.1 0.000 360.0 360.0 360.0 127.9 34.3 16.9 3.4 2 5 A R - 0 0 86 297,-0.1 2,-0.2 1,-0.1 303,-0.1 -0.351 360.0-173.6 -65.5 142.0 36.4 14.0 2.2 3 6 A G - 0 0 31 1,-0.1 2,-0.1 299,-0.1 -1,-0.1 -0.547 32.3 -60.8-123.8-169.6 36.5 13.3 -1.5 4 7 A L - 0 0 58 -2,-0.2 51,-0.2 1,-0.1 -1,-0.1 -0.398 52.8-109.5 -74.9 152.2 37.8 10.8 -4.0 5 8 A Y - 0 0 49 49,-2.5 -1,-0.1 1,-0.2 49,-0.1 -0.343 54.6 -75.6 -72.6 163.7 41.5 10.1 -4.2 6 9 A P - 0 0 94 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.223 60.6 -83.8 -62.6 154.8 43.2 11.3 -7.5 7 10 A P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 44,-0.1 -0.146 53.1 170.6 -55.6 147.2 42.7 9.4 -10.8 8 11 A L - 0 0 53 42,-0.2 2,-0.2 -3,-0.1 45,-0.1 -0.980 30.7-115.0-160.0 150.1 44.9 6.4 -11.6 9 12 A A - 0 0 80 -2,-0.3 21,-0.3 1,-0.1 2,-0.1 -0.526 39.5-100.9 -86.6 154.5 45.1 3.6 -14.1 10 13 A A - 0 0 29 -2,-0.2 19,-0.3 1,-0.1 3,-0.1 -0.476 22.7-141.2 -69.9 145.9 44.6 -0.1 -13.2 11 14 A Y S S+ 0 0 93 17,-1.9 2,-0.3 1,-0.2 18,-0.2 0.503 80.8 4.0 -88.7 -1.2 47.9 -1.8 -12.9 12 15 A D E +A 28 0A 80 16,-1.1 16,-3.1 2,-0.0 2,-0.3 -0.943 65.6 162.5-174.0 153.8 46.5 -5.0 -14.5 13 16 A S E +A 27 0A 55 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.975 5.0 144.1-167.1 172.7 43.3 -6.3 -16.1 14 17 A G E -A 26 0A 14 12,-2.0 12,-2.1 -2,-0.3 2,-0.4 -0.985 43.8 -76.7 172.5-167.3 41.9 -9.0 -18.3 15 18 A W E -A 25 0A 116 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.980 30.5-153.2-125.4 135.9 39.0 -11.3 -19.1 16 19 A L E -A 24 0A 37 8,-2.4 8,-2.7 -2,-0.4 2,-0.5 -0.938 13.8-136.1-113.5 127.5 38.1 -14.5 -17.2 17 20 A D E -A 23 0A 99 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.708 8.9-162.7 -84.3 124.5 36.2 -17.3 -18.9 18 21 A T - 0 0 9 4,-3.4 -1,-0.1 -2,-0.5 5,-0.1 0.666 34.3-125.1 -79.1 -18.6 33.5 -18.7 -16.7 19 22 A G S S+ 0 0 67 3,-0.5 4,-0.1 1,-0.0 -2,-0.1 0.343 96.9 76.4 90.2 -8.5 33.2 -21.9 -18.7 20 23 A D S S- 0 0 57 2,-0.2 3,-0.1 62,-0.1 -3,-0.0 0.062 125.7 -67.7-122.3 24.8 29.5 -21.5 -19.4 21 24 A G S S+ 0 0 52 1,-0.3 2,-0.4 54,-0.0 60,-0.1 0.533 99.5 111.5 105.8 9.2 29.6 -18.8 -22.0 22 25 A H - 0 0 3 47,-0.0 -4,-3.4 2,-0.0 2,-0.5 -0.946 39.4-173.6-123.6 138.6 30.9 -15.7 -20.1 23 26 A R E -AB 17 75A 126 52,-2.7 52,-2.4 -2,-0.4 2,-0.4 -0.954 23.7-159.5-124.3 104.1 34.1 -13.8 -20.3 24 27 A I E -A 16 0A 0 -8,-2.7 -8,-2.4 -2,-0.5 2,-0.2 -0.770 10.8-130.2 -97.8 131.7 34.1 -11.3 -17.5 25 28 A Y E +A 15 0A 8 -2,-0.4 42,-1.8 -10,-0.2 2,-0.3 -0.509 32.3 168.6 -76.8 137.7 36.2 -8.2 -17.4 26 29 A W E -AC 14 66A 23 -12,-2.1 -12,-2.0 40,-0.2 2,-0.3 -0.949 13.0-166.5-144.0 161.0 38.2 -7.4 -14.2 27 30 A E E -AC 13 65A 4 38,-2.4 38,-2.6 -2,-0.3 2,-0.4 -0.990 14.4-138.4-153.5 144.7 41.0 -5.0 -13.3 28 31 A L E +AC 12 64A 13 -16,-3.1 -17,-1.9 -2,-0.3 -16,-1.1 -0.905 27.8 174.3-107.9 134.0 43.4 -4.7 -10.4 29 32 A S E + C 0 63A 2 34,-2.5 34,-3.4 -2,-0.4 2,-0.6 -0.963 39.5 21.8-139.4 153.6 44.1 -1.3 -8.9 30 33 A G E S- C 0 62A 25 -21,-0.3 32,-0.3 -2,-0.3 29,-0.1 -0.850 108.9 -3.7 102.9-121.5 46.1 0.3 -6.0 31 34 A N > - 0 0 48 30,-3.0 3,-2.5 -2,-0.6 -2,-0.1 -0.949 50.7-149.4-120.4 112.7 48.9 -1.6 -4.3 32 35 A P T 3 S+ 0 0 68 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.706 107.1 38.4 -51.1 -19.6 49.7 -5.2 -5.5 33 36 A N T 3 S+ 0 0 148 28,-0.1 29,-0.1 2,-0.1 26,-0.0 0.428 100.2 105.2-109.8 -3.6 50.8 -5.8 -1.9 34 37 A G S < S- 0 0 18 -3,-2.5 27,-0.3 27,-0.2 26,-0.1 0.156 87.2 -60.9 -67.9-173.8 48.1 -3.7 -0.2 35 38 A K E -d 61 0A 56 25,-3.7 27,-2.8 1,-0.1 -1,-0.2 -0.596 62.6-114.4 -74.3 126.2 45.0 -4.8 1.7 36 39 A P E +d 62 0A 32 0, 0.0 69,-2.3 0, 0.0 2,-0.3 -0.345 43.6 164.0 -66.1 136.0 42.8 -6.9 -0.6 37 40 A A E -de 63 105A 1 25,-2.3 27,-2.9 67,-0.3 2,-0.4 -0.989 24.2-149.5-149.5 152.8 39.3 -5.6 -1.5 38 41 A V E -de 64 106A 0 67,-2.5 69,-2.6 -2,-0.3 2,-0.5 -0.995 11.4-145.6-129.2 134.1 36.6 -6.2 -4.1 39 42 A F E -de 65 107A 9 25,-2.1 27,-0.7 -2,-0.4 2,-0.6 -0.865 7.5-161.1-101.1 123.5 34.2 -3.7 -5.5 40 43 A I E - e 0 108A 1 67,-3.0 69,-0.9 -2,-0.5 72,-0.1 -0.913 14.1-148.1-105.7 113.7 30.7 -4.8 -6.4 41 44 A H - 0 0 2 -2,-0.6 7,-0.1 25,-0.4 4,-0.1 -0.247 16.5-119.0 -74.1 167.6 28.9 -2.4 -8.8 42 45 A G > + 0 0 2 5,-0.3 4,-2.0 69,-0.2 5,-0.5 -0.050 69.8 57.8 -95.3-162.0 25.2 -1.8 -8.7 43 46 A G T 4 S- 0 0 0 272,-1.4 2,-0.2 2,-0.2 -1,-0.1 -0.885 95.8-100.7 123.3-100.2 22.2 -2.2 -11.0 44 47 A P T 4 S+ 0 0 1 0, 0.0 185,-0.3 0, 0.0 -1,-0.2 0.548 121.3 24.9 -62.0 165.8 22.4 -5.1 -11.6 45 48 A G T 4 S+ 0 0 3 -2,-0.2 27,-0.3 183,-0.2 -2,-0.2 0.592 86.4 124.0 83.0 12.3 24.0 -4.4 -15.0 46 49 A G < - 0 0 21 -4,-2.0 -3,-0.2 25,-0.1 26,-0.1 0.895 53.5-154.2 -72.7 -41.8 25.5 -1.1 -14.0 47 50 A G - 0 0 11 -5,-0.5 -5,-0.3 19,-0.1 2,-0.2 0.076 18.6 -77.9 84.7 159.9 29.1 -1.7 -14.7 48 51 A I - 0 0 31 -7,-0.1 19,-0.1 20,-0.1 3,-0.0 -0.495 36.2-158.7 -92.6 164.2 32.3 -0.2 -13.2 49 52 A S > - 0 0 38 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.951 34.5-107.0-137.2 156.9 33.8 3.2 -14.0 50 53 A P G >> S+ 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.835 115.2 67.2 -55.2 -30.9 37.4 4.4 -13.5 51 54 A H G >4 S+ 0 0 92 1,-0.3 3,-0.7 2,-0.2 4,-0.1 0.758 84.9 69.9 -61.3 -26.3 36.2 6.6 -10.6 52 55 A H G X4 S+ 0 0 15 -3,-1.8 3,-1.0 1,-0.2 -1,-0.3 0.749 91.3 61.7 -64.9 -20.6 35.4 3.5 -8.5 53 56 A R G X4 S+ 0 0 41 -3,-1.7 3,-1.2 -4,-0.4 -1,-0.2 0.873 94.6 61.3 -69.9 -36.9 39.2 3.0 -8.3 54 57 A Q G << S+ 0 0 17 -3,-0.7 -49,-2.5 -4,-0.6 -1,-0.2 0.355 81.1 85.3 -71.8 3.9 39.5 6.3 -6.5 55 58 A L G < S+ 0 0 0 -3,-1.0 2,-0.4 -51,-0.2 -1,-0.3 0.530 88.2 57.6 -82.6 -7.0 37.3 5.0 -3.6 56 59 A F S < S- 0 0 5 -3,-1.2 7,-0.1 -4,-0.1 249,-0.1 -0.958 98.0 -94.0-130.8 147.1 40.4 3.4 -2.0 57 60 A D >> - 0 0 10 -2,-0.4 4,-2.0 1,-0.2 3,-1.0 -0.341 34.8-143.2 -53.7 119.8 43.7 4.6 -0.7 58 61 A P T 34 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.737 97.1 42.8 -61.3 -24.1 46.1 3.9 -3.7 59 62 A E T 34 S+ 0 0 134 1,-0.1 -2,-0.1 -29,-0.1 3,-0.1 0.476 119.2 39.3-104.2 -2.7 48.9 2.9 -1.4 60 63 A R T <4 S+ 0 0 115 -3,-1.0 -25,-3.7 -26,-0.1 2,-0.4 0.613 104.7 66.9-117.7 -18.8 47.0 0.8 1.2 61 64 A Y E < - d 0 35A 0 -4,-2.0 -30,-3.0 -27,-0.3 2,-0.7 -0.857 52.5-159.1-114.8 144.3 44.5 -1.2 -1.0 62 65 A K E -Cd 30 36A 33 -27,-2.8 -25,-2.3 -2,-0.4 2,-0.5 -0.949 31.8-166.1-111.7 99.9 44.8 -3.8 -3.6 63 66 A V E -Cd 29 37A 2 -34,-3.4 -34,-2.5 -2,-0.7 2,-0.6 -0.828 15.3-163.7-101.5 124.6 41.4 -3.4 -5.3 64 67 A L E +Cd 28 38A 3 -27,-2.9 -25,-2.1 -2,-0.5 2,-0.4 -0.912 14.8 179.8-104.3 122.4 39.8 -5.9 -7.7 65 68 A L E +Cd 27 39A 0 -38,-2.6 -38,-2.4 -2,-0.6 2,-0.3 -0.926 3.2 172.3-120.4 145.9 36.9 -4.4 -9.8 66 69 A F E -C 26 0A 1 -27,-0.7 2,-0.5 -2,-0.4 -25,-0.4 -0.999 34.1-115.6-154.6 153.7 34.9 -6.3 -12.4 67 70 A D - 0 0 4 -42,-1.8 -42,-0.2 -2,-0.3 3,-0.1 -0.766 39.4-123.6 -88.9 128.8 31.9 -6.0 -14.6 68 71 A Q > - 0 0 4 -2,-0.5 3,-2.0 1,-0.2 6,-0.2 -0.308 50.9 -59.9 -69.4 158.6 29.2 -8.5 -13.7 69 72 A R T 3 S+ 0 0 2 1,-0.2 -1,-0.2 15,-0.1 3,-0.1 -0.035 120.9 10.1 -43.0 128.7 27.9 -10.9 -16.4 70 73 A G T 3 S+ 0 0 0 1,-0.2 8,-3.5 -3,-0.1 2,-0.3 0.340 111.0 84.7 84.9 -4.9 26.4 -9.2 -19.4 71 74 A C S X S- 0 0 2 -3,-2.0 3,-1.9 6,-0.2 2,-0.3 -0.865 81.0 -2.3-131.0 165.4 27.4 -5.6 -18.8 72 75 A G T 3 S- 0 0 42 -2,-0.3 5,-0.0 -27,-0.3 -25,-0.0 -0.443 128.7 -17.8 65.4-121.8 30.2 -3.2 -19.2 73 76 A R T 3 S+ 0 0 128 -2,-0.3 2,-0.3 -48,-0.1 -1,-0.3 0.359 109.0 111.8-100.4 5.3 33.2 -4.9 -20.8 74 77 A S < - 0 0 0 -3,-1.9 -50,-0.2 -6,-0.2 -6,-0.1 -0.620 68.5-102.4 -82.3 136.3 32.0 -8.4 -20.0 75 78 A R B S+B 23 0A 97 -52,-2.4 -52,-2.7 -2,-0.3 -4,-0.1 -0.849 95.9 41.6-111.9 146.8 30.9 -10.5 -23.0 76 79 A P S > S- 0 0 63 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.413 90.1-134.5 -77.4 135.9 28.3 -11.5 -24.3 77 80 A H T 3 S+ 0 0 67 1,-0.2 -6,-0.2 -2,-0.1 -2,-0.1 -0.311 80.1 1.8 -63.4 133.6 26.8 -8.0 -23.8 78 81 A A T 3 S+ 0 0 6 -8,-3.5 2,-0.4 1,-0.2 -1,-0.2 0.727 90.7 160.7 63.3 25.2 23.2 -7.8 -22.5 79 82 A S < - 0 0 15 -3,-1.4 -1,-0.2 1,-0.1 -8,-0.0 -0.637 29.6-174.7 -83.5 130.3 23.1 -11.6 -22.2 80 83 A L > + 0 0 27 -2,-0.4 3,-0.9 2,-0.0 2,-0.3 0.283 50.7 113.8-102.9 7.6 20.5 -13.0 -19.9 81 84 A D T 3 S- 0 0 123 1,-0.3 3,-0.1 -60,-0.1 -2,-0.1 -0.666 94.3 -7.5 -82.3 135.9 21.7 -16.6 -20.3 82 85 A N T 3 S+ 0 0 77 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.841 96.6 140.8 46.3 41.1 23.2 -18.1 -17.1 83 86 A N < + 0 0 1 -3,-0.9 2,-0.3 4,-0.1 -1,-0.2 -0.780 21.5 127.9-115.9 86.2 22.8 -14.7 -15.5 84 87 A T S >> S- 0 0 24 -2,-0.7 4,-2.0 1,-0.1 3,-0.6 -0.883 70.3-101.6-134.6 167.6 21.7 -15.1 -11.9 85 88 A T H 3> S+ 0 0 5 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.903 119.8 51.6 -53.3 -46.8 22.6 -14.1 -8.4 86 89 A W H 3> S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.769 106.4 52.0 -66.9 -27.7 24.3 -17.4 -7.6 87 90 A H H <> S+ 0 0 51 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.914 110.1 50.3 -72.6 -41.6 26.4 -17.4 -10.8 88 91 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.865 107.6 52.9 -62.5 -37.2 27.7 -14.0 -9.8 89 92 A V H X S+ 0 0 6 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.897 110.7 48.6 -63.7 -38.1 28.5 -15.3 -6.3 90 93 A A H X S+ 0 0 34 -4,-1.4 4,-2.5 1,-0.2 3,-0.3 0.909 107.3 54.9 -66.2 -45.3 30.4 -18.0 -8.1 91 94 A D H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.852 103.5 55.7 -57.0 -37.9 32.2 -15.5 -10.3 92 95 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.880 108.3 47.3 -65.5 -36.9 33.4 -13.6 -7.2 93 96 A E H X S+ 0 0 28 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.928 111.6 51.7 -67.5 -44.9 35.0 -16.7 -5.8 94 97 A R H X S+ 0 0 102 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 111.2 46.3 -54.9 -51.7 36.6 -17.4 -9.2 95 98 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.852 110.1 56.0 -60.5 -34.6 38.0 -13.9 -9.3 96 99 A R H <>S+ 0 0 1 -4,-1.8 5,-2.1 -5,-0.2 4,-0.5 0.926 107.3 46.6 -64.0 -47.7 39.2 -14.3 -5.7 97 100 A E H ><5S+ 0 0 132 -4,-2.4 3,-0.8 3,-0.2 -2,-0.2 0.921 112.9 51.1 -60.7 -45.6 41.3 -17.5 -6.4 98 101 A M H 3<5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.947 108.8 48.2 -58.1 -52.9 42.8 -15.8 -9.5 99 102 A A T 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.584 111.9-127.2 -66.1 -7.1 43.9 -12.7 -7.7 100 103 A G T < 5 + 0 0 62 -3,-0.8 2,-0.4 -4,-0.5 -3,-0.2 0.811 54.6 152.7 65.6 32.6 45.3 -15.1 -5.1 101 104 A V < - 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