==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-07 2QS8 . COMPND 2 MOLECULE: XAA-PRO DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTEROMONAS MACLEODII; . AUTHOR D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 813 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 9.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 2 3 2 0 8 0 1 2 2 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 2 2 6 2 0 2 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 . 4 1 1 4 0 2 1 1 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 . 2 0 1 1 2 0 2 0 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 7 A S 0 0 117 0, 0.0 27,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.1 42.5 20.1 54.9 2 8 A K - 0 0 91 25,-0.1 44,-1.7 44,-0.0 2,-0.4 -0.900 360.0-122.8-138.4 165.5 45.8 19.7 56.8 3 9 A T E -Ab 26 46A 26 23,-2.9 23,-3.1 -2,-0.3 2,-0.5 -0.931 19.6-154.2-113.1 135.6 49.3 18.3 56.3 4 10 A L E -Ab 25 47A 0 42,-2.5 44,-2.9 -2,-0.4 2,-0.5 -0.916 7.2-166.9-110.3 133.5 50.9 15.7 58.6 5 11 A I E -Ab 24 48A 2 19,-2.4 19,-2.3 -2,-0.5 2,-0.8 -0.977 10.3-154.9-122.4 128.2 54.6 15.4 59.1 6 12 A H E -Ab 23 49A 12 42,-1.9 44,-1.7 -2,-0.5 2,-0.7 -0.892 17.2-162.7-100.1 108.5 56.3 12.3 60.7 7 13 A A E -Ab 22 50A 0 15,-3.1 15,-2.2 -2,-0.8 44,-0.3 -0.846 16.0-160.7-100.4 116.4 59.5 13.6 62.2 8 14 A G E S+ 0 0 11 42,-2.3 13,-3.4 -2,-0.7 2,-0.3 0.960 85.8 5.6 -52.8 -54.6 62.1 10.9 63.0 9 15 A K E S-Ab 20 54A 78 44,-2.0 46,-2.8 41,-0.4 2,-0.4 -0.920 74.0-155.4-129.7 154.6 63.8 13.4 65.3 10 16 A L E -Ab 19 55A 2 9,-2.6 9,-2.6 -2,-0.3 2,-0.7 -0.947 16.1-174.9-142.4 120.8 62.8 16.9 66.3 11 17 A I - 0 0 0 44,-2.7 7,-0.1 -2,-0.4 5,-0.1 -0.953 15.8-175.1-105.9 108.1 64.8 19.9 67.5 12 18 A D - 0 0 22 -2,-0.7 357,-2.2 5,-0.4 -1,-0.1 0.605 38.3-114.9 -85.9 -12.0 62.0 22.4 68.4 13 19 A G S S+ 0 0 3 2,-0.4 341,-0.3 355,-0.2 340,-0.1 0.108 103.7 53.5 102.7 -23.7 64.0 25.5 69.3 14 20 A K S S+ 0 0 94 355,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.799 89.8 72.1-106.9 -57.3 63.0 25.6 73.0 15 21 A S - 0 0 38 1,-0.1 -2,-0.4 2,-0.1 -3,-0.2 -0.416 68.5-144.7 -66.9 133.1 63.8 22.2 74.5 16 22 A D S S+ 0 0 83 -2,-0.2 2,-0.4 -4,-0.1 -1,-0.1 0.404 78.6 88.5 -77.1 4.9 67.5 21.4 75.0 17 23 A Q S S- 0 0 129 329,-0.0 2,-0.6 -7,-0.0 -5,-0.4 -0.839 79.8-127.8-109.5 141.9 66.6 17.9 74.1 18 24 A V - 0 0 44 -2,-0.4 2,-0.3 -7,-0.1 -7,-0.2 -0.765 33.7-145.1 -83.6 120.2 66.4 16.1 70.8 19 25 A Q E -A 10 0A 57 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.4 -0.675 6.6-135.9 -90.9 143.4 62.9 14.6 70.7 20 26 A S E -A 9 0A 67 -2,-0.3 17,-0.4 -11,-0.2 -11,-0.2 -0.796 67.0 -4.1-103.8 142.5 62.2 11.3 69.0 21 27 A R E S+ 0 0 143 -13,-3.4 16,-2.1 -2,-0.4 2,-0.3 0.941 76.3 170.7 45.4 90.4 59.3 10.4 66.7 22 28 A I E -AC 7 36A 7 -15,-2.2 -15,-3.1 14,-0.2 2,-0.5 -0.953 29.0-140.0-130.5 148.9 57.0 13.3 66.7 23 29 A S E -AC 6 35A 0 12,-3.2 12,-2.0 -2,-0.3 2,-0.5 -0.936 16.4-168.5-109.7 123.6 53.9 14.3 64.6 24 30 A I E -AC 5 34A 0 -19,-2.3 -19,-2.4 -2,-0.5 2,-0.5 -0.941 6.9-155.1-112.4 130.3 53.5 17.9 63.5 25 31 A V E -AC 4 33A 8 8,-2.9 7,-1.8 -2,-0.5 8,-1.3 -0.925 4.8-160.3-111.5 126.0 50.2 19.0 62.0 26 32 A I E -AC 3 31A 4 -23,-3.1 -23,-2.9 -2,-0.5 2,-0.5 -0.898 10.1-179.5-108.5 128.7 50.1 21.9 59.6 27 33 A D E > - C 0 30A 74 3,-2.9 3,-1.8 -2,-0.5 2,-0.4 -0.946 67.2 -45.9-127.1 106.3 46.9 23.9 58.9 28 34 A G T 3 S- 0 0 55 -2,-0.5 -25,-0.1 -27,-0.4 4,-0.1 -0.565 121.9 -26.3 70.7-127.4 47.3 26.7 56.4 29 35 A N T 3 S+ 0 0 61 -2,-0.4 346,-2.9 -3,-0.1 2,-0.3 0.223 124.2 90.3-103.4 13.7 50.4 28.6 57.4 30 36 A I E < S-CD 27 374A 46 -3,-1.8 -3,-2.9 344,-0.3 2,-1.0 -0.838 77.5-126.3-115.3 148.4 50.1 27.5 61.0 31 37 A I E +C 26 0A 1 342,-2.5 341,-3.5 -2,-0.3 -5,-0.2 -0.816 33.0 179.6 -87.8 104.9 51.4 24.6 63.1 32 38 A S E + 0 0 41 -7,-1.8 2,-0.3 -2,-1.0 -6,-0.2 0.712 55.1 2.1 -84.0 -23.1 48.1 23.4 64.6 33 39 A D E -C 25 0A 57 -8,-1.3 -8,-2.9 337,-0.1 2,-0.3 -0.998 45.4-157.0-163.3 159.6 49.2 20.5 66.6 34 40 A I E +C 24 0A 51 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.889 22.6 176.5-143.6 106.7 52.1 18.4 67.9 35 41 A K E -C 23 0A 104 -12,-2.0 -12,-3.2 -2,-0.3 2,-0.2 -0.833 30.6-109.5-114.6 151.5 51.5 14.8 69.0 36 42 A K E S+C 22 0A 197 -2,-0.3 -14,-0.2 -14,-0.2 -15,-0.1 -0.493 80.1 12.0 -77.9 146.2 53.8 12.1 70.2 37 43 A G S S- 0 0 24 -16,-2.1 2,-1.0 -17,-0.4 -30,-0.2 -0.098 105.4 -57.2 79.2 176.8 54.5 9.1 68.0 38 44 A F - 0 0 75 -32,-0.1 3,-0.1 -16,-0.1 -1,-0.1 -0.808 60.1-159.2 -98.0 97.7 53.6 8.6 64.4 39 45 A I - 0 0 48 -2,-1.0 -2,-0.0 1,-0.2 -17,-0.0 -0.262 35.8 -73.3 -72.0 163.3 49.8 9.1 64.2 40 46 A S - 0 0 80 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 -0.260 39.5-170.9 -58.7 141.5 47.7 7.7 61.3 41 47 A S > + 0 0 30 1,-0.1 3,-2.3 -3,-0.1 -1,-0.1 0.542 62.3 94.8-110.7 -12.4 48.1 9.6 58.0 42 48 A N T 3 S+ 0 0 152 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.698 87.8 51.1 -53.6 -22.5 45.3 8.0 55.9 43 49 A D T 3 S+ 0 0 118 -3,-0.1 2,-0.4 3,-0.0 -1,-0.3 0.336 90.1 94.9-101.0 6.4 43.0 10.8 56.9 44 50 A F S < S- 0 0 42 -3,-2.3 -41,-0.1 1,-0.1 3,-0.1 -0.814 72.0-134.9-102.7 141.2 45.2 13.8 56.0 45 51 A E S S+ 0 0 131 -43,-0.4 2,-0.3 -2,-0.4 -42,-0.2 0.903 93.8 19.3 -54.5 -44.1 45.0 15.6 52.7 46 52 A D E -b 3 0A 88 -44,-1.7 -42,-2.5 -3,-0.1 2,-0.4 -0.976 66.9-164.4-133.6 147.3 48.8 15.6 52.6 47 53 A Y E -b 4 0A 83 -2,-0.3 2,-0.5 -44,-0.2 -42,-0.2 -0.994 4.5-166.6-133.5 133.9 51.5 13.6 54.2 48 54 A I E -b 5 0A 26 -44,-2.9 -42,-1.9 -2,-0.4 2,-0.9 -0.941 13.5-153.8-122.6 106.7 55.3 14.2 54.5 49 55 A D E +b 6 0A 63 -2,-0.5 3,-0.2 -44,-0.2 -42,-0.1 -0.705 32.8 150.7 -86.1 103.3 57.3 11.2 55.7 50 56 A L E > +b 7 0A 10 -44,-1.7 3,-2.3 -2,-0.9 -42,-2.3 -0.099 22.8 129.1-122.2 33.3 60.4 12.4 57.4 51 57 A R E 3 S+ 0 0 140 1,-0.3 -30,-0.1 -44,-0.3 -1,-0.1 0.775 79.3 49.6 -59.2 -25.3 60.9 9.5 59.8 52 58 A D E 3 S+ 0 0 104 -3,-0.2 330,-0.3 -44,-0.1 -1,-0.3 0.266 106.9 74.4 -97.7 11.8 64.5 9.2 58.5 53 59 A H E < S- 0 0 13 -3,-2.3 -44,-2.0 328,-0.2 2,-0.5 -0.781 75.1-126.6-122.5 164.3 65.1 12.9 59.0 54 60 A T E -bE 9 380A 5 326,-2.8 326,-1.7 -2,-0.3 2,-0.3 -0.962 29.8-150.0-110.0 122.7 65.7 15.4 61.8 55 61 A V E +bE 10 379A 2 -46,-2.8 -44,-2.7 -2,-0.5 324,-0.2 -0.748 19.4 173.2 -96.7 142.4 63.3 18.3 61.7 56 62 A L E - E 0 378A 0 322,-2.6 322,-2.7 -2,-0.3 -44,-0.1 -0.911 37.7 -94.6-139.0 164.5 64.2 21.8 62.9 57 63 A P E - E 0 377A 2 0, 0.0 320,-0.3 0, 0.0 312,-0.1 -0.456 64.5 -72.2 -78.0 162.5 62.4 25.2 62.8 58 64 A G - 0 0 4 318,-2.2 43,-0.2 340,-0.1 2,-0.1 -0.255 56.8-120.9 -52.9 135.4 63.4 27.4 59.9 59 65 A L E -h 101 0B 1 41,-2.1 44,-1.6 -3,-0.1 43,-0.8 -0.456 22.6-148.3 -81.2 153.7 66.9 28.9 60.4 60 66 A X E -h 103 0B 3 292,-2.0 2,-0.5 41,-0.2 44,-0.2 -0.965 9.7-162.0-127.0 139.4 67.7 32.6 60.6 61 67 A D E -h 104 0B 0 42,-1.4 44,-2.7 -2,-0.4 259,-0.2 -0.964 3.3-165.2-120.3 112.2 70.7 34.7 59.5 62 68 A X E S+ 0 0 0 257,-3.1 2,-0.2 -2,-0.5 258,-0.2 0.408 77.9 44.9 -76.7 1.5 70.8 38.1 61.1 63 69 A H E + 0 0 1 256,-0.1 259,-2.5 43,-0.1 260,-1.1 -0.625 68.5 136.9-152.8 89.7 73.5 39.5 58.7 64 70 A V E -hi 106 323B 0 41,-1.6 43,-1.1 258,-0.2 260,-0.2 -0.919 34.6-155.7-132.2 157.8 73.3 39.0 55.0 65 71 A H > - 0 0 18 258,-2.4 3,-1.4 -2,-0.3 41,-0.1 -0.549 16.2-169.1-131.5 67.2 73.9 41.1 51.9 66 72 A F T 3 S+ 0 0 0 1,-0.2 23,-0.2 -2,-0.1 48,-0.2 -0.321 73.2 47.2 -55.9 137.9 71.9 39.6 49.0 67 73 A G T 3 S+ 0 0 7 21,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.288 106.2 60.4 111.2 -9.4 73.0 41.3 45.8 68 74 A Q < - 0 0 94 -3,-1.4 2,-0.3 20,-0.1 -1,-0.2 -0.987 46.4-176.9-149.2 156.4 76.8 41.1 46.3 69 75 A E - 0 0 60 -2,-0.3 256,-0.2 -3,-0.1 257,-0.1 -0.866 40.5-111.1-153.0 115.2 79.6 38.6 46.8 70 76 A Y - 0 0 62 254,-1.3 2,-0.3 255,-0.5 254,-0.1 -0.261 39.1-174.8 -56.0 125.3 83.1 39.9 47.4 71 77 A Q - 0 0 78 1,-0.1 5,-0.0 6,-0.1 -1,-0.0 -0.914 28.0-101.8-122.2 149.5 85.5 39.2 44.5 72 78 A S > - 0 0 17 -2,-0.3 4,-3.1 1,-0.1 3,-0.3 -0.107 39.5-102.1 -60.4 164.5 89.2 39.8 44.2 73 79 A K T 4 S+ 0 0 116 214,-1.4 214,-0.1 213,-0.6 -1,-0.1 0.895 125.0 51.8 -56.1 -41.6 90.5 42.8 42.3 74 80 A A T 4 S+ 0 0 93 212,-0.4 -1,-0.2 1,-0.2 213,-0.1 0.838 118.2 35.4 -65.7 -34.2 91.3 40.5 39.4 75 81 A Q T 4 S+ 0 0 134 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.762 90.6 107.7 -91.9 -29.4 87.8 39.0 39.3 76 82 A A S < S- 0 0 40 -4,-3.1 -6,-0.0 1,-0.1 -4,-0.0 -0.206 72.5-116.5 -55.1 134.1 85.6 42.0 40.2 77 83 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.293 22.8-115.9 -68.1 158.8 83.5 43.6 37.4 78 84 A I S S- 0 0 172 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.846 93.0 -2.5 -64.1 -35.1 84.3 47.1 36.4 79 85 A K - 0 0 128 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.975 59.3-146.7-152.8 158.6 80.9 48.4 37.5 80 86 A V - 0 0 65 -2,-0.3 5,-0.0 -3,-0.1 0, 0.0 -0.907 18.2-147.5-134.8 105.7 77.7 46.9 39.0 81 87 A E > - 0 0 50 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.234 26.4-114.8 -65.6 160.3 74.4 48.6 38.0 82 88 A R H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 118.9 56.8 -64.1 -38.5 71.6 48.6 40.5 83 89 A E H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 105.6 50.7 -59.6 -38.7 69.6 46.4 38.2 84 90 A X H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 107.4 53.2 -67.0 -39.9 72.4 43.8 38.3 85 91 A Q H X S+ 0 0 36 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.932 111.9 45.7 -59.0 -46.0 72.5 43.9 42.1 86 92 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.913 112.0 50.8 -63.4 -45.6 68.8 43.2 42.2 87 93 A I H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.933 113.6 44.8 -58.7 -48.4 69.0 40.4 39.6 88 94 A L H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -21,-0.3 0.835 106.5 62.0 -65.9 -32.0 71.9 38.7 41.5 89 95 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.880 94.8 60.4 -63.5 -37.3 70.0 39.2 44.8 90 96 A T H X S+ 0 0 3 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.930 111.5 40.2 -56.2 -44.3 67.1 37.0 43.5 91 97 A Q H X S+ 0 0 56 -4,-1.0 4,-2.4 2,-0.2 5,-0.3 0.882 113.2 53.5 -70.7 -41.2 69.6 34.1 43.2 92 98 A H H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.908 111.8 46.3 -60.3 -42.1 71.4 34.9 46.4 93 99 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.911 111.3 51.3 -68.0 -43.8 68.2 34.8 48.3 94 100 A Y H X S+ 0 0 82 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.918 110.1 46.9 -62.4 -45.4 66.9 31.6 46.7 95 101 A V H X S+ 0 0 58 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.830 113.7 49.8 -66.6 -29.5 70.1 29.6 47.4 96 102 A T H <>S+ 0 0 0 -4,-1.4 5,-1.9 -5,-0.3 -1,-0.2 0.888 113.0 46.5 -72.8 -39.6 70.1 30.8 51.0 97 103 A F H ><5S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.923 110.8 52.2 -67.0 -46.3 66.5 29.9 51.4 98 104 A K H 3<5S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 101.2 62.1 -64.7 -22.8 67.0 26.5 49.8 99 105 A S T 3<5S- 0 0 23 -4,-0.9 295,-0.3 -5,-0.2 -1,-0.3 0.470 131.3 -87.3 -83.2 0.4 69.9 25.8 52.2 100 106 A G T < 5S+ 0 0 0 -3,-1.8 -41,-2.1 1,-0.2 2,-1.0 0.355 89.2 124.7 114.9 -8.0 67.4 26.1 55.2 101 107 A F E < +h 59 0B 0 -5,-1.9 -1,-0.2 -43,-0.2 -41,-0.2 -0.760 24.0 169.6 -92.9 103.3 67.3 29.8 56.1 102 108 A T E + 0 0 1 -2,-1.0 28,-3.7 -43,-0.8 2,-0.4 0.611 68.4 37.1 -85.1 -16.9 63.6 30.8 55.9 103 109 A T E +hj 60 130B 0 -44,-1.6 -42,-1.4 26,-0.3 2,-0.3 -1.000 66.9 172.5-139.1 136.5 64.2 34.2 57.5 104 110 A V E -hj 61 131B 0 26,-2.6 28,-1.8 -2,-0.4 2,-0.6 -0.967 27.5-138.1-140.7 156.7 67.1 36.6 57.1 105 111 A R E - 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