==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-06 2IVO . COMPND 2 MOLECULE: UP1; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR A.HECKER,N.LEULLIOT,M.GRAILLE,P.DORLET,S.QUEVILLON-CHERUEL, . 1300 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 964 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 10.1 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 . 16 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 84 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 462 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.1 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 2 0 0 4 1 1 2 4 6 4 2 0 0 3 1 0 0 0 0 4 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 7 5 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 . 2 4 0 1 7 4 4 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 4 0 6 2 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 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 1 A M 0 0 92 0, 0.0 19,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.1 3.6 -19.1 32.3 2 2 A L - 0 0 26 66,-0.3 68,-1.7 17,-0.2 69,-0.7 -0.862 360.0-169.3-118.3 150.8 5.4 -17.4 35.2 3 3 A A E -Ab 18 71A 0 15,-1.9 15,-2.2 -2,-0.3 2,-0.4 -0.998 11.8-148.7-137.2 139.0 8.8 -15.7 35.5 4 4 A L E -Ab 17 72A 0 67,-2.4 69,-3.3 -2,-0.4 2,-0.4 -0.911 19.3-164.1-105.3 135.1 10.6 -14.5 38.6 5 5 A G E -Ab 16 73A 0 11,-3.3 11,-2.5 -2,-0.4 2,-0.5 -0.975 10.1-162.5-128.4 131.2 12.9 -11.4 38.1 6 6 A I E -Ab 15 74A 0 67,-2.2 69,-2.2 -2,-0.4 2,-0.4 -0.946 6.7-171.1-113.0 125.1 15.6 -10.0 40.2 7 7 A E E +A 14 0A 0 7,-3.3 7,-2.7 -2,-0.5 280,-0.1 -0.941 26.7 138.1-109.8 135.1 16.9 -6.4 39.8 8 8 A G + 0 0 0 -2,-0.4 79,-0.2 5,-0.2 78,-0.1 0.055 18.5 130.1-165.4 46.1 20.0 -5.2 41.6 9 9 A T S S- 0 0 6 3,-0.1 71,-2.6 70,-0.1 75,-0.2 0.700 87.2 -6.6 -76.5 -21.6 22.1 -3.1 39.2 10 10 A A S S- 0 0 22 2,-0.6 69,-0.0 69,-0.2 28,-0.0 -0.211 117.9 -32.9-139.6-126.2 22.3 -0.3 41.8 11 11 A H S S+ 0 0 24 -2,-0.1 20,-1.8 20,-0.1 2,-0.5 0.636 108.8 79.5 -91.9 -16.1 20.8 0.6 45.2 12 12 A T E - C 0 30A 17 18,-0.2 2,-0.6 16,-0.1 -2,-0.6 -0.806 59.9-160.0 -92.4 130.7 17.4 -1.0 44.7 13 13 A L E - C 0 29A 0 16,-2.4 16,-1.1 -2,-0.5 2,-0.4 -0.969 22.7-174.2 -98.1 116.6 17.0 -4.7 45.0 14 14 A G E -AC 7 28A 0 -7,-2.7 -7,-3.3 -2,-0.6 2,-0.5 -0.947 13.9-169.3-117.1 134.1 13.7 -5.4 43.1 15 15 A I E +AC 6 27A 0 12,-2.0 12,-2.6 -2,-0.4 2,-0.3 -0.977 12.6 176.1-123.9 121.2 11.9 -8.7 43.0 16 16 A G E -AC 5 26A 0 -11,-2.5 -11,-3.3 -2,-0.5 2,-0.4 -0.903 19.0-163.0-120.9 151.0 9.1 -9.2 40.5 17 17 A I E +AC 4 25A 0 8,-2.1 7,-1.9 -2,-0.3 8,-1.8 -0.990 25.1 167.0-129.4 123.0 6.9 -12.1 39.5 18 18 A V E -AC 3 23A 0 -15,-2.2 -15,-1.9 -2,-0.4 5,-0.2 -0.978 26.6-156.6-137.4 146.0 5.0 -11.8 36.2 19 19 A S - 0 0 18 3,-2.4 -17,-0.2 -2,-0.3 276,-0.1 -0.469 57.1 -78.8 -96.8-176.4 3.0 -13.8 33.7 20 20 A E S S+ 0 0 62 -19,-0.5 -18,-0.1 1,-0.2 3,-0.1 0.760 127.2 13.4 -52.5 -30.9 2.6 -12.7 30.0 21 21 A D S S+ 0 0 116 1,-0.1 2,-0.3 97,-0.0 -1,-0.2 0.520 118.6 58.3-133.3 -6.9 -0.1 -10.1 31.0 22 22 A K - 0 0 113 3,-0.0 -3,-2.4 0, 0.0 2,-0.8 -0.967 62.9-136.3-128.3 151.0 -0.2 -9.6 34.8 23 23 A V E -C 18 0A 44 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.901 20.7-177.7 -97.1 107.7 2.3 -8.4 37.4 24 24 A L E + 0 0 34 -7,-1.9 2,-0.3 -2,-0.8 -6,-0.2 0.837 68.8 1.7 -75.2 -34.5 1.7 -10.9 40.3 25 25 A A E +C 17 0A 5 -8,-1.8 -8,-2.1 -3,-0.1 -1,-0.3 -0.989 51.3 179.9-155.7 143.4 4.2 -9.1 42.6 26 26 A N E +C 16 0A 27 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.734 21.8 173.2-147.9 95.3 6.5 -6.1 42.6 27 27 A V E -C 15 0A 3 -12,-2.6 -12,-2.0 -2,-0.2 260,-0.4 -0.735 7.7-166.5-115.4 156.7 8.6 -5.6 45.7 28 28 A F E +C 14 0A 31 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.939 19.3 174.5-140.5 149.7 11.4 -3.3 46.8 29 29 A D E -C 13 0A 61 -16,-1.1 -16,-2.4 -2,-0.3 2,-0.4 -0.847 18.4-164.8-154.2 131.6 14.1 -2.5 49.2 30 30 A T E -C 12 0A 63 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.918 24.1-115.3-120.7 140.7 16.6 0.4 48.8 31 31 A L - 0 0 35 -20,-1.8 2,-0.3 -2,-0.4 -20,-0.1 -0.542 34.1-126.2 -68.2 129.7 19.8 1.1 50.5 32 32 A T - 0 0 120 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 -0.629 24.9-169.2 -77.1 136.3 19.6 4.4 52.5 33 33 A T - 0 0 22 -2,-0.3 4,-0.1 1,-0.2 136,-0.1 -0.905 10.4-172.6-131.9 105.2 22.3 6.9 51.6 34 34 A E S S+ 0 0 173 -2,-0.4 135,-0.2 1,-0.2 -1,-0.2 0.988 92.5 30.5 -56.9 -67.7 22.7 10.0 53.8 35 35 A K S S- 0 0 175 1,-0.2 -1,-0.2 134,-0.0 2,-0.1 0.716 111.2-136.1 -63.8 -22.6 25.2 11.9 51.7 36 36 A G + 0 0 8 1,-0.2 -1,-0.2 133,-0.0 -2,-0.1 -0.258 52.7 91.9 87.4 177.5 23.8 10.4 48.5 37 37 A G S S- 0 0 37 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.233 76.3 -32.9 91.1-176.6 25.8 9.0 45.6 38 38 A I + 0 0 81 -2,-0.1 -28,-0.0 1,-0.0 -5,-0.0 -0.661 44.7 170.0 -93.4 126.1 27.2 5.6 44.5 39 39 A H > - 0 0 61 -2,-0.4 4,-1.7 1,-0.1 3,-0.2 -0.691 6.5-177.4-136.1 81.5 28.5 3.0 47.0 40 40 A P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.807 80.0 47.3 -50.5 -44.0 29.2 -0.4 45.3 41 41 A K H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.927 111.2 47.6 -69.3 -46.7 30.2 -2.4 48.4 42 42 A E H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.813 110.3 55.0 -67.4 -30.4 27.3 -1.4 50.7 43 43 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.909 106.7 49.0 -65.7 -45.2 24.8 -2.1 48.0 44 44 A A H X S+ 0 0 13 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.848 113.3 48.2 -63.6 -35.5 26.1 -5.7 47.5 45 45 A E H X S+ 0 0 122 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 110.7 51.6 -69.0 -42.8 25.9 -6.1 51.3 46 46 A H H X S+ 0 0 6 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.939 111.6 46.0 -55.8 -50.0 22.3 -4.6 51.1 47 47 A H H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.867 111.2 52.5 -65.8 -38.3 21.3 -7.1 48.4 48 48 A A H < S+ 0 0 61 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.941 113.1 43.3 -60.8 -49.0 22.8 -10.1 50.2 49 49 A R H < S+ 0 0 180 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.771 120.1 42.0 -68.8 -29.3 21.0 -9.3 53.5 50 50 A L H X S+ 0 0 14 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.579 87.7 91.3 -97.4 -12.5 17.6 -8.6 51.8 51 51 A M H X S+ 0 0 22 -4,-1.4 4,-2.3 -3,-0.3 5,-0.2 0.927 91.6 39.5 -51.1 -59.4 17.5 -11.4 49.2 52 52 A K H > S+ 0 0 150 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.911 116.5 48.2 -62.7 -50.2 15.7 -14.0 51.3 53 53 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.946 115.9 44.3 -52.3 -50.8 13.2 -11.6 53.0 54 54 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.859 113.2 50.8 -65.7 -37.7 12.2 -9.9 49.7 55 55 A L H X S+ 0 0 19 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.879 111.5 48.5 -64.5 -39.8 11.9 -13.2 47.9 56 56 A R H X S+ 0 0 157 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.900 112.8 48.5 -66.4 -41.9 9.7 -14.5 50.7 57 57 A K H X S+ 0 0 103 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.893 110.8 51.0 -63.7 -43.4 7.6 -11.3 50.5 58 58 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.969 108.6 48.7 -58.7 -56.4 7.3 -11.5 46.7 59 59 A L H X>S+ 0 0 27 -4,-2.2 5,-2.5 1,-0.2 4,-0.7 0.801 112.2 54.4 -55.7 -30.5 6.1 -15.2 46.6 60 60 A S H <5S+ 0 0 92 -4,-1.2 3,-0.5 3,-0.2 -1,-0.2 0.967 110.4 40.1 -68.8 -58.2 3.6 -14.2 49.2 61 61 A E H <5S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.892 118.3 49.4 -61.1 -37.9 2.0 -11.2 47.4 62 62 A A H <5S- 0 0 15 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.747 105.2-138.6 -68.2 -23.3 2.1 -13.2 44.2 63 63 A G T <5 + 0 0 61 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.928 63.3 106.4 60.4 48.5 0.6 -16.1 46.1 64 64 A V < - 0 0 33 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.895 61.5-124.8-143.7 173.6 2.8 -18.6 44.5 65 65 A S >> - 0 0 55 -2,-0.3 3,-2.0 -3,-0.1 4,-0.6 -0.838 34.3-103.8-121.7 161.7 5.9 -20.9 45.2 66 66 A L G >4 S+ 0 0 12 -2,-0.3 3,-0.5 1,-0.3 -62,-0.1 0.743 119.2 63.7 -58.0 -23.2 9.2 -21.2 43.4 67 67 A D G 34 S+ 0 0 96 1,-0.2 -1,-0.3 33,-0.0 -3,-0.0 0.788 96.9 55.7 -67.5 -30.1 8.0 -24.5 41.9 68 68 A D G <4 S+ 0 0 85 -3,-2.0 -66,-0.3 -67,-0.0 2,-0.2 0.629 87.7 100.4 -77.4 -15.7 5.3 -22.6 40.0 69 69 A I << - 0 0 0 -4,-0.6 -66,-0.2 -3,-0.5 3,-0.1 -0.531 53.1-168.5 -71.4 134.9 8.0 -20.4 38.4 70 70 A D + 0 0 53 -68,-1.7 2,-0.3 1,-0.3 -67,-0.2 0.690 68.7 13.1 -94.9 -24.4 8.9 -21.3 34.8 71 71 A V E -b 3 0A 0 -69,-0.7 -67,-2.4 29,-0.1 2,-0.6 -0.995 61.7-136.9-156.1 146.2 12.1 -19.2 34.4 72 72 A I E -bd 4 102A 0 29,-2.1 31,-2.4 -2,-0.3 2,-0.4 -0.926 23.4-173.8-112.5 117.8 14.5 -17.1 36.5 73 73 A A E +bd 5 103A 0 -69,-3.3 -67,-2.2 -2,-0.6 2,-0.3 -0.873 4.0 179.4-111.1 139.7 15.5 -13.7 35.1 74 74 A F E -bd 6 104A 0 29,-1.5 31,-3.4 -2,-0.4 2,-0.9 -0.978 39.0-101.7-139.0 154.5 18.1 -11.4 36.6 75 75 A S E + d 0 105A 0 -69,-2.2 31,-0.2 -2,-0.3 13,-0.1 -0.660 37.5 178.0 -74.0 106.8 19.6 -8.1 35.8 76 76 A Q E + 0 0 1 29,-2.4 236,-2.9 -2,-0.9 -1,-0.2 0.729 46.6 86.4 -85.8 -23.3 22.9 -9.1 34.3 77 77 A G E S- d 0 106A 0 28,-0.9 30,-2.9 1,-0.2 -1,-0.3 -0.912 72.2 -17.3 164.0 170.8 24.1 -5.5 33.6 78 78 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.641 85.1 73.7 -90.0 162.4 25.0 -2.8 33.3 79 79 A G S S- 0 0 27 234,-1.3 2,-0.6 -3,-0.1 -69,-0.2 -0.972 85.0 -19.6 168.4-160.1 25.5 -1.7 36.9 80 80 A L >> - 0 0 35 -71,-2.6 4,-2.5 -2,-0.3 3,-0.9 -0.682 53.3-137.6 -85.3 115.5 27.8 -2.0 39.9 81 81 A G H 3> S+ 0 0 11 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.827 98.3 47.2 -31.3 -67.2 29.9 -5.1 39.8 82 82 A P H 3> S+ 0 0 45 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.825 115.6 46.2 -57.8 -34.4 29.6 -6.2 43.5 83 83 A A H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.885 110.9 52.3 -73.1 -39.4 25.8 -5.8 43.4 84 84 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 106.8 54.7 -58.4 -44.0 25.5 -7.6 40.1 85 85 A R H X S+ 0 0 117 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.843 106.9 49.2 -61.2 -39.3 27.5 -10.5 41.5 86 86 A V H X S+ 0 0 34 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.890 111.7 49.7 -66.1 -41.4 25.1 -10.9 44.5 87 87 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 -79,-0.2 -2,-0.2 0.929 112.9 46.2 -61.5 -45.6 22.1 -10.9 42.1 88 88 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.856 111.7 50.1 -71.2 -37.2 23.6 -13.5 39.8 89 89 A T H X S+ 0 0 82 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.973 112.3 48.0 -63.0 -52.2 24.7 -15.8 42.6 90 90 A A H X S+ 0 0 22 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.844 114.7 46.6 -53.2 -38.8 21.2 -15.7 44.1 91 91 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.851 112.2 49.0 -75.6 -35.7 19.6 -16.3 40.7 92 92 A R H X S+ 0 0 57 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.909 109.0 53.4 -68.6 -42.8 22.0 -19.2 39.9 93 93 A A H X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.907 109.9 47.7 -55.5 -47.8 21.3 -20.8 43.3 94 94 A L H X S+ 0 0 19 -4,-1.6 4,-2.3 -5,-0.2 6,-0.3 0.903 107.1 58.2 -60.8 -43.0 17.6 -20.7 42.6 95 95 A A H <>S+ 0 0 9 -4,-1.8 5,-2.3 1,-0.2 4,-0.2 0.889 114.4 35.2 -57.1 -45.9 18.1 -22.2 39.2 96 96 A V H ><5S+ 0 0 113 -4,-1.9 3,-0.9 3,-0.2 -1,-0.2 0.909 114.8 55.1 -73.1 -45.1 19.8 -25.3 40.5 97 97 A K H 3<5S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.854 123.3 26.6 -60.9 -35.8 17.8 -25.7 43.7 98 98 A Y T 3<5S- 0 0 59 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.224 105.9-118.8-112.8 14.1 14.5 -25.7 41.8 99 99 A R T < 5 + 0 0 198 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.912 61.1 153.0 47.7 52.6 15.7 -27.1 38.4 100 100 A K < - 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