==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-04 1WM1 . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR Y.NAKAJIMA,T.INOUE,K.ITO,T.TOZAKA,S.HATAKEYAMA,N.TANAKA, . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 70.1 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 . 14 4.5 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 0 2 0 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,-0.1 0, 0.0 298,-0.1 0.000 360.0 360.0 360.0 134.7 34.3 16.8 3.6 2 5 A R - 0 0 82 297,-0.1 2,-0.2 296,-0.1 303,-0.2 -0.437 360.0-173.3 -73.7 146.1 36.5 13.9 2.2 3 6 A G - 0 0 31 1,-0.2 -1,-0.1 -2,-0.1 2,-0.0 -0.577 33.4 -59.7-125.9-171.1 36.5 13.3 -1.5 4 7 A L - 0 0 57 -2,-0.2 51,-0.2 1,-0.1 -1,-0.2 -0.337 53.1-110.6 -71.7 154.4 37.9 10.7 -4.0 5 8 A Y - 0 0 43 49,-2.8 -1,-0.1 1,-0.2 49,-0.1 -0.314 55.6 -70.8 -75.3 169.1 41.6 10.1 -4.2 6 9 A P - 0 0 90 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.226 61.8 -86.8 -63.0 153.8 43.3 11.3 -7.4 7 10 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 44,-0.1 -0.175 54.3 169.9 -56.0 151.2 42.7 9.4 -10.7 8 11 A L - 0 0 51 42,-0.2 2,-0.2 -3,-0.1 45,-0.1 -0.957 30.4-117.3-164.2 147.4 44.9 6.4 -11.5 9 12 A A - 0 0 78 -2,-0.3 21,-0.4 1,-0.1 2,-0.1 -0.489 38.5 -99.7 -86.9 158.4 45.0 3.6 -14.0 10 13 A A - 0 0 27 -2,-0.2 19,-0.3 19,-0.1 3,-0.1 -0.452 22.1-141.5 -71.7 150.9 44.7 -0.1 -13.1 11 14 A Y S S+ 0 0 94 17,-2.2 2,-0.3 1,-0.3 18,-0.2 0.571 81.6 6.2 -91.8 -7.6 48.0 -1.8 -12.9 12 15 A D E +A 28 0A 85 16,-1.3 16,-3.1 2,-0.0 2,-0.3 -0.968 66.6 160.1-166.5 155.0 46.6 -5.0 -14.4 13 16 A S E +A 27 0A 53 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.977 4.1 144.4-168.0 172.3 43.4 -6.3 -16.0 14 17 A G E -A 26 0A 14 12,-2.0 12,-2.5 -2,-0.3 2,-0.4 -0.990 44.1 -76.3 171.3-171.1 41.9 -9.0 -18.2 15 18 A W E -A 25 0A 120 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.967 31.9-153.0-120.2 134.0 38.9 -11.2 -19.0 16 19 A L E -A 24 0A 40 8,-2.4 8,-2.4 -2,-0.4 2,-0.4 -0.922 12.9-136.9-109.6 128.3 38.2 -14.4 -17.1 17 20 A D E -A 23 0A 99 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.701 11.3-165.9 -83.5 129.8 36.3 -17.3 -18.8 18 21 A T - 0 0 14 4,-2.9 -1,-0.1 -2,-0.4 5,-0.1 0.607 35.7-122.3 -90.1 -14.1 33.6 -18.7 -16.6 19 22 A G S S+ 0 0 66 3,-0.5 4,-0.1 1,-0.0 -2,-0.1 0.282 97.0 79.3 92.2 -12.0 33.1 -21.9 -18.6 20 23 A D S S- 0 0 51 2,-0.2 3,-0.1 62,-0.1 -3,-0.0 0.044 123.6 -71.5-116.8 26.1 29.4 -21.3 -19.2 21 24 A G S S+ 0 0 53 1,-0.3 2,-0.4 54,-0.0 60,-0.1 0.634 99.0 112.7 98.1 17.0 29.7 -18.7 -22.0 22 25 A H - 0 0 3 47,-0.0 -4,-2.9 2,-0.0 2,-0.5 -0.970 40.6-172.5-127.8 139.0 30.9 -15.7 -20.1 23 26 A R E -AB 17 75A 130 52,-2.7 52,-2.5 -2,-0.4 2,-0.4 -0.953 22.7-157.4-125.8 105.2 34.2 -13.8 -20.2 24 27 A I E -A 16 0A 0 -8,-2.4 -8,-2.4 -2,-0.5 2,-0.3 -0.740 10.5-130.3 -94.9 131.4 34.1 -11.2 -17.4 25 28 A Y E +A 15 0A 6 -2,-0.4 42,-2.2 42,-0.2 2,-0.3 -0.549 33.8 169.0 -76.9 136.6 36.2 -8.1 -17.4 26 29 A W E -AC 14 66A 24 -12,-2.5 -12,-2.0 -2,-0.3 2,-0.3 -0.931 12.9-169.1-142.3 165.1 38.3 -7.4 -14.2 27 30 A E E -AC 13 65A 2 38,-2.3 38,-2.8 -2,-0.3 2,-0.5 -0.989 15.5-138.4-157.9 150.6 41.0 -5.1 -13.1 28 31 A L E +AC 12 64A 14 -16,-3.1 -17,-2.2 -2,-0.3 -16,-1.3 -0.951 26.1 175.3-114.8 131.7 43.4 -4.6 -10.2 29 32 A S E + C 0 63A 1 34,-2.6 34,-3.1 -2,-0.5 2,-0.5 -0.919 42.1 21.6-133.4 157.3 44.2 -1.1 -8.9 30 33 A G E S- C 0 62A 23 -21,-0.4 32,-0.3 -2,-0.3 29,-0.1 -0.788 109.0 -3.6 97.9-127.4 46.2 0.3 -6.0 31 34 A N > - 0 0 50 30,-3.2 3,-2.2 -2,-0.5 -2,-0.1 -0.934 49.8-151.2-114.4 113.7 49.0 -1.6 -4.3 32 35 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.710 107.2 38.6 -54.6 -17.5 49.7 -5.2 -5.5 33 36 A N T 3 S+ 0 0 145 28,-0.1 29,-0.1 2,-0.1 -3,-0.0 0.431 101.6 104.9-109.5 -3.8 50.9 -5.8 -1.9 34 37 A G S < S- 0 0 18 -3,-2.2 27,-0.3 27,-0.2 26,-0.1 0.135 87.4 -59.4 -67.9-174.8 48.3 -3.6 -0.3 35 38 A K E -d 61 0A 55 25,-3.4 27,-3.4 1,-0.1 -1,-0.2 -0.549 62.1-116.7 -71.0 125.9 45.2 -4.6 1.7 36 39 A P E +d 62 0A 35 0, 0.0 69,-2.2 0, 0.0 2,-0.3 -0.423 43.8 160.2 -70.5 135.3 42.9 -6.8 -0.5 37 40 A A E -de 63 105A 0 25,-2.1 27,-2.5 67,-0.3 2,-0.4 -0.987 26.6-146.3-151.4 151.6 39.4 -5.5 -1.4 38 41 A V E -de 64 106A 0 67,-2.5 69,-2.6 -2,-0.3 2,-0.5 -0.988 11.5-145.3-126.1 134.0 36.7 -6.2 -4.0 39 42 A F E -de 65 107A 11 25,-2.5 27,-0.7 -2,-0.4 2,-0.6 -0.857 9.6-162.5-100.0 126.9 34.3 -3.6 -5.5 40 43 A I E - e 0 108A 1 67,-2.8 69,-1.0 -2,-0.5 72,-0.1 -0.928 12.6-147.0-113.0 112.8 30.8 -4.7 -6.3 41 44 A H - 0 0 3 -2,-0.6 7,-0.1 25,-0.5 4,-0.1 -0.219 15.3-119.8 -73.6 167.3 29.0 -2.4 -8.7 42 45 A G > + 0 0 1 5,-0.3 4,-1.9 69,-0.2 5,-0.4 -0.056 68.9 58.6 -94.6-163.8 25.2 -1.8 -8.6 43 46 A G T 4 S- 0 0 0 272,-1.7 2,-0.2 1,-0.2 -1,-0.1 -0.895 94.3-102.7 126.0-101.4 22.3 -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 0.554 119.9 25.7 -64.0 164.1 22.4 -5.1 -11.5 45 48 A G T 4 S+ 0 0 3 -3,-0.2 27,-0.3 -2,-0.2 -2,-0.2 0.610 86.2 121.8 87.4 14.4 24.0 -4.5 -14.9 46 49 A G < - 0 0 21 -4,-1.9 -3,-0.2 25,-0.1 179,-0.1 0.819 54.9-151.2 -79.9 -34.2 25.5 -1.1 -14.0 47 50 A G - 0 0 12 -5,-0.4 -5,-0.3 19,-0.1 2,-0.2 0.154 22.0 -72.7 80.4 159.5 29.2 -1.8 -14.7 48 51 A I - 0 0 29 -7,-0.1 19,-0.1 20,-0.1 17,-0.0 -0.530 37.8-149.3 -90.2 159.3 32.3 -0.3 -13.1 49 52 A S > - 0 0 37 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.910 27.0-118.2-123.8 150.0 33.7 3.2 -13.6 50 53 A P G > S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.830 114.3 64.7 -59.5 -24.5 37.3 4.4 -13.5 51 54 A H G > S+ 0 0 88 1,-0.3 3,-1.0 2,-0.2 4,-0.0 0.744 83.4 72.5 -68.6 -24.1 36.2 6.6 -10.6 52 55 A H G X S+ 0 0 15 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.730 89.3 63.8 -64.1 -17.8 35.4 3.5 -8.5 53 56 A R G X S+ 0 0 40 -3,-1.4 3,-1.1 -4,-0.4 -1,-0.3 0.845 92.8 61.4 -72.0 -33.2 39.2 3.1 -8.3 54 57 A Q G < S+ 0 0 16 -3,-1.0 -49,-2.8 -4,-0.4 -1,-0.2 0.259 82.6 82.1 -78.4 11.8 39.6 6.4 -6.4 55 58 A L G < S+ 0 0 1 -3,-0.9 2,-0.4 -51,-0.2 -1,-0.2 0.502 87.5 60.3 -92.1 -7.3 37.5 5.1 -3.5 56 59 A F S < S- 0 0 4 -3,-1.1 7,-0.1 -4,-0.1 5,-0.1 -0.977 99.0 -98.0-127.0 136.1 40.4 3.3 -1.9 57 60 A D >> - 0 0 8 -2,-0.4 4,-2.1 1,-0.2 3,-0.6 -0.265 31.4-144.1 -49.3 119.0 43.7 4.7 -0.7 58 61 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.802 97.0 48.3 -58.2 -31.0 46.1 4.0 -3.6 59 62 A E T 34 S+ 0 0 128 1,-0.1 -2,-0.1 -29,-0.1 3,-0.0 0.717 120.1 32.5 -84.9 -23.0 48.9 3.3 -1.2 60 63 A R T <4 S+ 0 0 108 -3,-0.6 -25,-3.4 -26,-0.1 2,-0.4 0.615 104.7 72.0-112.4 -12.6 47.1 0.9 1.2 61 64 A Y E < - d 0 35A 0 -4,-2.1 -30,-3.2 -27,-0.3 2,-0.7 -0.848 51.2-159.2-114.8 144.8 44.6 -1.0 -0.9 62 65 A K E -Cd 30 36A 32 -27,-3.4 -25,-2.1 -2,-0.4 2,-0.5 -0.930 32.0-164.7-111.8 97.9 44.9 -3.8 -3.5 63 66 A V E -Cd 29 37A 2 -34,-3.1 -34,-2.6 -2,-0.7 2,-0.6 -0.777 16.9-163.3 -99.5 130.6 41.5 -3.3 -5.3 64 67 A L E +Cd 28 38A 2 -27,-2.5 -25,-2.5 -2,-0.5 2,-0.4 -0.930 15.3 179.6-106.4 120.6 39.8 -5.9 -7.6 65 68 A L E +Cd 27 39A 0 -38,-2.8 -38,-2.3 -2,-0.6 2,-0.3 -0.945 4.0 173.0-121.0 144.2 37.0 -4.4 -9.7 66 69 A F E -C 26 0A 0 -27,-0.7 2,-0.6 -2,-0.4 -25,-0.5 -0.998 34.1-118.9-152.1 154.4 35.0 -6.3 -12.2 67 70 A D - 0 0 4 -42,-2.2 -42,-0.2 -2,-0.3 3,-0.1 -0.824 38.8-126.6 -92.0 123.9 32.0 -6.0 -14.5 68 71 A Q > - 0 0 4 -2,-0.6 3,-1.9 1,-0.2 6,-0.3 -0.253 51.3 -56.2 -67.3 159.8 29.3 -8.5 -13.6 69 72 A R T 3 S+ 0 0 1 1,-0.2 -1,-0.2 15,-0.1 3,-0.1 0.005 120.9 6.7 -40.6 129.7 28.0 -10.9 -16.3 70 73 A G T 3 S+ 0 0 0 1,-0.2 8,-3.3 -3,-0.1 2,-0.3 0.385 110.8 84.8 79.8 -3.0 26.5 -9.2 -19.4 71 74 A C S X S+ 0 0 2 -3,-1.9 3,-2.1 6,-0.2 -1,-0.2 -0.835 81.2 1.2-129.6 169.5 27.4 -5.6 -18.7 72 75 A G T 3 S- 0 0 41 -27,-0.3 152,-0.0 -2,-0.3 -25,-0.0 -0.386 129.5 -21.7 61.1-125.3 30.3 -3.1 -19.1 73 76 A R T 3 S+ 0 0 107 -2,-0.2 2,-0.3 -48,-0.1 -1,-0.3 0.385 108.2 112.6 -98.5 3.9 33.2 -4.9 -20.8 74 77 A S < - 0 0 0 -3,-2.1 -50,-0.2 -6,-0.3 -6,-0.1 -0.600 69.5 -98.9 -78.3 136.6 32.1 -8.4 -19.9 75 78 A R B S+B 23 0A 100 -52,-2.5 -52,-2.7 -2,-0.3 -4,-0.1 -0.832 96.6 41.1-110.9 147.8 31.0 -10.5 -22.8 76 79 A P S > S- 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.426 89.3-132.4 -77.9 139.0 28.4 -11.4 -24.2 77 80 A H T 3 S+ 0 0 66 1,-0.3 -6,-0.2 -2,-0.1 -2,-0.1 -0.317 82.0 1.4 -62.7 134.8 26.9 -7.9 -23.8 78 81 A A T 3 S+ 0 0 8 -8,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.691 90.8 160.9 62.2 22.6 23.3 -7.8 -22.4 79 82 A S < - 0 0 12 -3,-1.5 -1,-0.2 1,-0.1 -8,-0.0 -0.567 28.3-175.8 -79.4 134.8 23.2 -11.6 -22.1 80 83 A L > + 0 0 27 -2,-0.3 3,-0.9 2,-0.0 2,-0.3 0.326 49.0 113.6-108.2 4.4 20.6 -13.1 -19.8 81 84 A D T 3 S- 0 0 125 1,-0.3 3,-0.1 -60,-0.1 -2,-0.1 -0.624 95.0 -6.2 -78.7 135.7 21.8 -16.7 -20.2 82 85 A N T 3 S+ 0 0 75 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.873 96.3 140.6 45.7 45.4 23.3 -18.1 -16.9 83 86 A N < + 0 0 1 -3,-0.9 2,-0.3 4,-0.1 -1,-0.2 -0.775 21.8 127.1-120.2 84.8 22.9 -14.7 -15.4 84 87 A T S >> S- 0 0 25 -2,-0.6 4,-2.0 -3,-0.1 3,-0.7 -0.902 70.6-101.0-135.3 166.2 21.8 -15.1 -11.8 85 88 A T H 3> S+ 0 0 4 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.868 119.9 51.5 -51.4 -44.7 22.8 -14.1 -8.3 86 89 A W H 3> S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.789 106.3 52.5 -69.9 -27.3 24.3 -17.4 -7.5 87 90 A H H <> S+ 0 0 51 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.911 109.7 50.6 -72.5 -40.4 26.5 -17.4 -10.7 88 91 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.877 106.6 54.0 -63.1 -38.6 27.8 -14.0 -9.7 89 92 A V H X S+ 0 0 6 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.917 110.5 47.4 -60.5 -42.0 28.6 -15.2 -6.2 90 93 A A H X S+ 0 0 36 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.894 107.4 56.8 -65.6 -40.8 30.6 -18.0 -7.9 91 94 A D H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.878 103.3 54.1 -58.1 -39.9 32.3 -15.4 -10.2 92 95 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.875 108.9 47.8 -64.1 -38.2 33.5 -13.5 -7.1 93 96 A E H X S+ 0 0 26 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.910 110.2 53.2 -67.7 -41.9 35.1 -16.6 -5.7 94 97 A R H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 111.0 45.8 -56.5 -50.0 36.7 -17.3 -9.1 95 98 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.818 109.6 56.2 -63.2 -33.1 38.2 -13.8 -9.2 96 99 A R H <>S+ 0 0 6 -4,-1.6 5,-2.7 2,-0.2 4,-0.3 0.913 108.4 45.4 -67.1 -43.8 39.4 -14.2 -5.6 97 100 A E H ><5S+ 0 0 140 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.901 110.7 55.9 -66.3 -39.3 41.4 -17.3 -6.4 98 101 A M H 3<5S+ 0 0 75 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.965 109.6 43.4 -55.6 -56.8 42.8 -15.7 -9.5 99 102 A A T 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.473 114.5-120.9 -69.8 -0.7 44.2 -12.7 -7.6 100 103 A G T < 5 + 0 0 62 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.885 56.2 158.4 62.5 40.9 45.4 -15.1 -5.0 101 104 A V < - 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