==== 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 1X2E . 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) . 12869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.7 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 . 18 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 30.6 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 1 0 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 0 159 0, 0.0 2,-0.2 0, 0.0 298,-0.1 0.000 360.0 360.0 360.0 150.0 34.4 17.0 3.1 2 5 A R - 0 0 87 296,-0.1 2,-0.2 297,-0.1 303,-0.2 -0.480 360.0-173.9 -73.1 141.4 36.6 14.1 1.9 3 6 A G - 0 0 33 -2,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.515 32.3 -58.0-122.5-168.3 36.6 13.5 -1.9 4 7 A L - 0 0 55 -2,-0.2 51,-0.2 1,-0.1 -1,-0.2 -0.361 52.9-109.0 -73.8 152.9 38.0 11.0 -4.3 5 8 A Y - 0 0 45 49,-2.8 49,-0.1 1,-0.2 -1,-0.1 -0.316 54.8 -78.2 -71.1 165.2 41.6 10.2 -4.6 6 9 A P - 0 0 91 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.226 60.2 -80.3 -66.0 159.6 43.2 11.5 -7.9 7 10 A P + 0 0 104 0, 0.0 2,-0.3 0, 0.0 44,-0.1 -0.214 53.6 173.3 -56.8 144.7 42.7 9.7 -11.2 8 11 A L - 0 0 47 42,-0.2 2,-0.1 -3,-0.1 45,-0.1 -0.976 29.0-119.8-155.2 143.3 45.0 6.6 -11.8 9 12 A A - 0 0 82 -2,-0.3 21,-0.4 1,-0.1 2,-0.0 -0.490 37.7-101.4 -83.0 155.4 45.1 4.0 -14.5 10 13 A A - 0 0 30 -2,-0.1 19,-0.3 19,-0.1 3,-0.1 -0.345 21.9-142.4 -69.0 158.9 44.6 0.3 -13.7 11 14 A Y S S+ 0 0 91 17,-2.8 2,-0.3 1,-0.3 18,-0.2 0.449 78.9 9.1-104.7 -1.3 47.9 -1.7 -13.6 12 15 A D E +A 28 0A 82 16,-1.1 16,-3.2 2,-0.0 -1,-0.3 -0.914 65.2 165.5-172.0 145.2 46.5 -4.8 -15.1 13 16 A S E +A 27 0A 58 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.976 5.9 141.4-158.4 168.6 43.3 -6.0 -16.9 14 17 A G E -A 26 0A 14 12,-2.1 12,-2.2 -2,-0.3 2,-0.4 -0.974 43.9 -83.3 177.6-167.7 41.8 -8.8 -19.0 15 18 A W E -A 25 0A 119 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.994 28.3-150.6-129.2 131.5 38.8 -10.9 -19.7 16 19 A L E -A 24 0A 41 8,-2.8 8,-2.6 -2,-0.4 2,-0.5 -0.909 12.1-140.4-107.7 118.1 38.0 -14.1 -17.9 17 20 A D E -A 23 0A 103 -2,-0.6 6,-0.2 6,-0.2 -2,-0.0 -0.647 8.0-159.9 -76.0 122.7 36.1 -16.8 -19.8 18 21 A T - 0 0 13 4,-2.9 -1,-0.2 -2,-0.5 5,-0.1 0.691 32.0-124.0 -76.8 -20.2 33.5 -18.3 -17.4 19 22 A G S S+ 0 0 64 3,-0.5 4,-0.1 -3,-0.0 -2,-0.1 0.353 97.2 75.7 92.6 -7.5 33.2 -21.5 -19.5 20 23 A D S S- 0 0 55 2,-0.2 -3,-0.0 62,-0.1 0, 0.0 0.147 124.1 -67.2-122.4 19.1 29.5 -21.1 -20.0 21 24 A G S S+ 0 0 53 1,-0.3 2,-0.4 54,-0.0 60,-0.1 0.414 99.5 103.6 115.7 -1.8 29.3 -18.4 -22.6 22 25 A H - 0 0 3 47,-0.0 -4,-2.9 60,-0.0 2,-0.5 -0.891 45.1-163.5-120.0 147.7 30.6 -15.2 -20.9 23 26 A R E -AB 17 75A 130 52,-3.1 52,-2.8 -2,-0.4 2,-0.5 -0.971 22.8-157.4-123.1 108.5 33.9 -13.3 -21.0 24 27 A I E -A 16 0A 2 -8,-2.6 -8,-2.8 -2,-0.5 2,-0.3 -0.796 8.6-133.9-100.0 129.7 34.0 -10.9 -18.0 25 28 A Y E +A 15 0A 6 -2,-0.5 42,-2.3 42,-0.2 2,-0.3 -0.549 30.6 169.0 -78.3 135.8 36.2 -7.8 -17.9 26 29 A W E -AC 14 66A 24 -12,-2.2 -12,-2.1 -2,-0.3 2,-0.3 -0.963 12.5-170.2-143.4 158.6 38.3 -7.1 -14.8 27 30 A E E -AC 13 65A 3 38,-2.4 38,-2.7 -2,-0.3 2,-0.4 -0.992 15.3-138.9-151.6 149.1 41.1 -4.8 -13.9 28 31 A L E +AC 12 64A 13 -16,-3.2 -17,-2.8 -2,-0.3 -16,-1.1 -0.920 26.3 179.0-111.7 137.0 43.4 -4.4 -10.9 29 32 A S E + C 0 63A 1 34,-2.3 34,-3.2 -2,-0.4 2,-0.5 -0.963 39.7 20.8-139.4 154.9 44.2 -1.0 -9.5 30 33 A G E S- C 0 62A 26 -21,-0.4 32,-0.2 -2,-0.3 29,-0.1 -0.832 108.7 -9.6 99.7-127.1 46.3 0.6 -6.7 31 34 A N > - 0 0 41 30,-2.6 3,-3.2 -2,-0.5 -2,-0.1 -0.956 49.4-148.0-119.6 117.1 49.2 -1.3 -5.2 32 35 A P T 3 S+ 0 0 67 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.603 104.8 48.4 -56.0 -11.0 49.8 -5.0 -6.1 33 36 A N T 3 S+ 0 0 143 28,-0.1 29,-0.1 26,-0.1 26,-0.0 0.214 97.1 99.5-112.6 10.1 51.2 -5.3 -2.6 34 37 A G S < S- 0 0 19 -3,-3.2 27,-0.3 1,-0.2 26,-0.1 -0.104 88.2 -63.4 -87.9-172.0 48.3 -3.6 -0.8 35 38 A K E -d 61 0A 56 25,-3.5 27,-3.1 1,-0.1 2,-0.2 -0.597 59.8-113.8 -75.2 128.6 45.2 -4.8 1.0 36 39 A P E +d 62 0A 36 0, 0.0 69,-2.3 0, 0.0 2,-0.3 -0.421 42.9 166.4 -69.4 132.5 42.9 -6.8 -1.3 37 40 A A E -de 63 105A 1 25,-2.3 27,-2.8 67,-0.3 2,-0.4 -0.988 22.9-149.8-143.3 148.4 39.5 -5.3 -2.0 38 41 A V E -de 64 106A 0 67,-2.8 69,-2.5 -2,-0.3 2,-0.5 -0.981 10.0-147.9-123.2 133.9 36.8 -6.0 -4.6 39 42 A F E -de 65 107A 11 25,-2.3 27,-0.8 -2,-0.4 2,-0.6 -0.891 8.9-163.2-102.3 125.6 34.4 -3.4 -6.0 40 43 A I E - e 0 108A 1 67,-2.9 69,-0.9 -2,-0.5 76,-0.1 -0.932 13.7-145.3-112.1 113.2 30.9 -4.6 -6.9 41 44 A H - 0 0 2 -2,-0.6 7,-0.1 25,-0.5 4,-0.1 -0.153 14.9-118.5 -72.2 169.6 29.0 -2.2 -9.2 42 45 A G > + 0 0 4 5,-0.3 4,-2.1 69,-0.1 5,-0.5 -0.052 69.3 58.0 -95.7-163.2 25.3 -1.5 -9.1 43 46 A G T 4 S- 0 0 0 272,-2.3 2,-0.2 2,-0.2 68,-0.1 -0.892 95.6-101.5 122.9 -99.7 22.3 -1.9 -11.4 44 47 A P T 4 S+ 0 0 1 0, 0.0 185,-0.3 0, 0.0 -1,-0.2 0.551 120.5 24.7 -60.7 165.0 22.4 -4.8 -11.9 45 48 A G T 4 S+ 0 0 3 -2,-0.2 27,-0.2 183,-0.2 -2,-0.2 0.642 86.7 122.2 81.7 18.1 24.0 -4.1 -15.3 46 49 A G < - 0 0 20 -4,-2.1 -3,-0.2 25,-0.1 26,-0.1 0.827 55.1-152.3 -81.8 -33.6 25.5 -0.7 -14.4 47 50 A G - 0 0 13 -5,-0.5 -5,-0.3 19,-0.1 2,-0.2 0.034 16.6 -81.1 82.9 166.4 29.1 -1.4 -15.1 48 51 A I - 0 0 28 -7,-0.1 19,-0.1 20,-0.1 3,-0.0 -0.642 35.9-162.7-103.1 162.9 32.3 0.1 -13.6 49 52 A S > - 0 0 38 -2,-0.2 3,-2.2 1,-0.0 4,-0.3 -0.966 36.9-102.2-141.5 156.2 34.0 3.4 -14.5 50 53 A P G >> S+ 0 0 60 0, 0.0 3,-2.1 0, 0.0 4,-0.6 0.818 115.3 68.2 -47.4 -36.6 37.5 4.7 -13.9 51 54 A H G >4 S+ 0 0 95 1,-0.3 3,-0.8 2,-0.2 4,-0.0 0.772 86.0 68.9 -56.8 -28.5 36.2 6.9 -11.0 52 55 A H G X4 S+ 0 0 16 -3,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.653 91.1 61.6 -66.5 -15.6 35.6 3.8 -9.0 53 56 A R G X4 S+ 0 0 36 -3,-2.1 3,-1.2 -4,-0.3 -1,-0.2 0.820 94.2 62.9 -77.1 -32.2 39.3 3.2 -8.7 54 57 A Q G << S+ 0 0 17 -3,-0.8 -49,-2.8 -4,-0.6 -1,-0.2 0.311 81.3 82.4 -75.9 6.9 39.7 6.5 -6.9 55 58 A L G < S+ 0 0 1 -3,-0.7 2,-0.4 -51,-0.2 -1,-0.2 0.502 88.5 60.0 -88.6 -6.0 37.5 5.3 -4.0 56 59 A F S < S- 0 0 4 -3,-1.2 7,-0.1 5,-0.1 -51,-0.1 -0.956 96.6 -99.8-127.4 144.9 40.5 3.5 -2.4 57 60 A D > - 0 0 8 -2,-0.4 4,-2.2 1,-0.2 3,-0.3 -0.440 30.6-145.2 -60.4 116.7 43.9 4.8 -1.2 58 61 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.707 96.2 50.0 -58.7 -21.8 46.3 4.0 -4.1 59 62 A E T 4 S+ 0 0 134 1,-0.1 -26,-0.1 -29,-0.1 -2,-0.1 0.830 119.3 31.7 -87.0 -35.9 49.1 3.3 -1.6 60 63 A R T 4 S+ 0 0 106 -3,-0.3 -25,-3.5 -26,-0.1 2,-0.4 0.621 107.5 68.9-101.0 -14.0 47.3 0.9 0.7 61 64 A Y E < - d 0 35A 1 -4,-2.2 -30,-2.6 -27,-0.3 2,-0.6 -0.855 50.9-160.0-116.5 146.8 44.8 -1.0 -1.5 62 65 A K E -Cd 30 36A 35 -27,-3.1 -25,-2.3 -2,-0.4 2,-0.5 -0.966 30.7-164.5-114.7 104.6 44.9 -3.6 -4.2 63 66 A V E -Cd 29 37A 3 -34,-3.2 -34,-2.3 -2,-0.6 2,-0.6 -0.848 15.9-163.0-105.2 125.2 41.5 -3.2 -5.9 64 67 A L E -Cd 28 38A 2 -27,-2.8 -25,-2.3 -2,-0.5 2,-0.4 -0.897 14.7-178.0-102.5 119.9 39.9 -5.6 -8.3 65 68 A L E +Cd 27 39A 0 -38,-2.7 -38,-2.4 -2,-0.6 2,-0.3 -0.947 4.8 176.5-117.5 138.7 37.1 -4.1 -10.3 66 69 A F E -C 26 0A 0 -27,-0.8 2,-0.5 -2,-0.4 -25,-0.5 -0.987 31.9-121.0-144.5 154.9 35.0 -6.0 -12.8 67 70 A D - 0 0 3 -42,-2.3 -42,-0.2 -2,-0.3 3,-0.1 -0.828 36.9-127.7 -92.9 124.2 32.0 -5.7 -15.1 68 71 A Q > - 0 0 4 -2,-0.5 3,-1.9 1,-0.2 6,-0.3 -0.283 49.3 -59.4 -68.5 158.8 29.3 -8.2 -14.2 69 72 A R T 3 S+ 0 0 2 1,-0.2 -1,-0.2 15,-0.1 3,-0.1 -0.020 120.2 9.8 -42.5 131.6 27.8 -10.4 -17.0 70 73 A G T 3 S+ 0 0 0 1,-0.2 8,-3.9 -47,-0.1 2,-0.3 0.259 111.0 83.5 84.1 -11.0 26.3 -8.6 -19.9 71 74 A C S X S- 0 0 2 -3,-1.9 3,-1.9 6,-0.2 2,-0.3 -0.832 82.3 -0.3-127.4 165.8 27.4 -5.1 -19.2 72 75 A G T 3 S- 0 0 42 -2,-0.3 152,-0.0 1,-0.3 -23,-0.0 -0.481 129.0 -21.7 65.9-123.8 30.3 -2.7 -19.6 73 76 A R T 3 S+ 0 0 119 -2,-0.3 2,-0.3 -48,-0.1 -1,-0.3 0.339 107.4 114.5-101.2 4.6 33.1 -4.6 -21.4 74 77 A S < - 0 0 0 -3,-1.9 -50,-0.2 -6,-0.3 -6,-0.1 -0.585 69.0 -97.1 -77.6 138.2 31.9 -8.0 -20.5 75 78 A R B S+B 23 0A 93 -52,-2.8 -52,-3.1 -2,-0.3 2,-0.1 -0.865 97.5 37.3-114.3 146.0 30.7 -10.1 -23.4 76 79 A P S > S- 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.430 89.9-130.2 -78.8 142.4 28.2 -10.8 -24.8 77 80 A H T 3 S+ 0 0 63 1,-0.3 -6,-0.2 -2,-0.1 -2,-0.1 -0.320 83.9 0.3 -61.5 132.3 26.7 -7.4 -24.3 78 81 A A T 3 S+ 0 0 6 -8,-3.9 2,-0.3 1,-0.2 -1,-0.3 0.707 89.6 161.1 61.9 24.6 23.2 -7.3 -22.8 79 82 A S < - 0 0 13 -3,-1.5 -1,-0.2 1,-0.1 -8,-0.0 -0.585 27.7-173.0 -79.1 135.1 23.0 -11.1 -22.6 80 83 A L > + 0 0 26 -2,-0.3 3,-0.9 -10,-0.0 2,-0.3 0.289 49.4 115.2-107.1 8.1 20.4 -12.6 -20.3 81 84 A D T 3 S- 0 0 120 1,-0.3 3,-0.1 -60,-0.1 -2,-0.1 -0.629 92.8 -7.7 -81.5 134.3 21.7 -16.2 -20.6 82 85 A N T 3 S+ 0 0 77 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.902 96.1 141.6 47.4 43.9 23.1 -17.8 -17.5 83 86 A N < + 0 0 1 -3,-0.9 2,-0.3 4,-0.1 -1,-0.2 -0.725 21.5 130.0-119.1 82.0 22.8 -14.3 -15.9 84 87 A T S >> S- 0 0 25 -2,-0.6 4,-2.2 -3,-0.1 3,-0.9 -0.861 70.3-102.8-130.5 165.4 21.7 -14.9 -12.3 85 88 A T H 3> S+ 0 0 4 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.868 120.8 50.5 -51.7 -41.7 22.7 -13.8 -8.8 86 89 A W H 3> S+ 0 0 91 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.724 106.4 52.1 -75.4 -22.4 24.3 -17.2 -8.2 87 90 A H H <> S+ 0 0 53 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.892 110.1 51.3 -76.3 -39.8 26.4 -17.2 -11.3 88 91 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.855 106.7 52.3 -62.8 -38.2 27.7 -13.8 -10.3 89 92 A V H X S+ 0 0 4 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.907 110.8 48.9 -63.8 -40.1 28.6 -15.0 -6.9 90 93 A A H X S+ 0 0 36 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.878 107.8 54.4 -65.4 -40.6 30.5 -17.8 -8.6 91 94 A D H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.863 102.5 56.9 -61.7 -38.5 32.2 -15.3 -10.9 92 95 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.861 107.6 49.0 -62.7 -34.4 33.5 -13.3 -7.9 93 96 A E H X S+ 0 0 26 -4,-1.1 4,-2.8 -3,-0.2 5,-0.3 0.936 107.8 52.6 -69.7 -47.2 35.2 -16.5 -6.7 94 97 A R H X S+ 0 0 87 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 112.0 47.0 -53.9 -44.5 36.8 -17.2 -10.0 95 98 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.875 110.5 53.7 -65.4 -37.4 38.2 -13.6 -10.0 96 99 A R H >X>S+ 0 0 0 -4,-1.7 5,-1.9 2,-0.2 3,-0.6 0.977 110.7 43.6 -60.6 -58.7 39.3 -14.1 -6.4 97 100 A E H ><5S+ 0 0 122 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.897 112.6 55.1 -53.9 -43.6 41.3 -17.3 -7.1 98 101 A M H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.835 107.6 47.4 -61.3 -35.4 42.7 -15.6 -10.2 99 102 A A H <<5S- 0 0 14 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.464 112.8-120.6 -85.5 -0.8 44.0 -12.6 -8.3 100 103 A G T <<5 + 0 0 66 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.710 59.5 154.5 70.1 20.7 45.5 -15.0 -5.8 101 104 A V < - 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