==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-10 3LUN . COMPND 2 MOLECULE: ULILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR C.TALLANT,R.GARCIA-CASTELLANOS,U.BAUMANN,F.X.GOMIS-RUTH . 520 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.6 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 . 4 0.8 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 6 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 . 5 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 63 A E 0 0 206 0, 0.0 2,-0.5 0, 0.0 258,-0.0 0.000 360.0 360.0 360.0 14.0 4.4 58.4 -17.4 2 64 A I - 0 0 46 57,-0.1 2,-0.5 257,-0.0 57,-0.2 -0.688 360.0-141.1 -71.5 121.2 8.0 57.0 -17.5 3 65 A V E -a 59 0A 17 55,-2.9 57,-3.0 -2,-0.5 2,-0.6 -0.757 12.9-154.5 -84.8 129.2 7.9 53.6 -15.7 4 66 A K E -a 60 0A 121 -2,-0.5 57,-0.2 254,-0.4 55,-0.1 -0.929 7.6-159.7-113.6 115.9 11.1 53.3 -13.6 5 67 A I E -a 61 0A 0 55,-3.8 57,-2.1 -2,-0.6 2,-0.3 -0.834 11.8-137.5-104.8 119.2 12.0 49.7 -13.1 6 68 A P E -a 62 0A 26 0, 0.0 103,-3.2 0, 0.0 2,-0.4 -0.572 26.2-156.5 -72.9 138.7 14.3 48.8 -10.2 7 69 A V E -ab 63 109A 0 55,-3.2 57,-3.3 -2,-0.3 2,-0.5 -0.924 15.6-165.7-120.7 139.5 16.8 46.3 -11.4 8 70 A V E - b 0 110A 0 101,-2.9 103,-3.1 -2,-0.4 2,-0.6 -0.998 10.2-156.3-120.5 128.6 18.7 43.8 -9.5 9 71 A V E -cb 76 111A 0 66,-3.1 68,-3.3 -2,-0.5 2,-0.9 -0.916 2.2-161.1-104.2 122.0 21.6 42.1 -11.3 10 72 A H E -cb 77 112A 0 101,-3.0 103,-3.1 -2,-0.6 2,-0.5 -0.883 6.4-161.4-105.3 98.7 22.6 38.8 -9.8 11 73 A V E -cb 78 113A 0 66,-3.5 68,-2.9 -2,-0.9 2,-0.6 -0.718 6.4-170.0 -79.5 127.4 26.0 38.1 -11.0 12 74 A V E +c 79 0A 1 101,-3.2 103,-0.4 -2,-0.5 2,-0.4 -0.983 14.4 178.4-123.6 116.0 26.6 34.4 -10.7 13 75 A W E +c 80 0A 30 66,-2.8 68,-3.1 -2,-0.6 3,-0.1 -0.937 33.3 174.3-131.3 148.2 30.1 33.6 -11.2 14 76 A N S S+ 0 0 37 1,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.731 82.8 42.0-113.2 -57.4 32.3 30.5 -11.2 15 77 A E S > S- 0 0 93 1,-0.1 3,-1.8 69,-0.1 4,-0.4 -0.703 90.0-118.3 -90.3 147.7 35.5 32.1 -12.4 16 78 A E G > S+ 0 0 112 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.806 112.6 63.3 -51.1 -39.3 36.6 35.4 -11.2 17 79 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 136,-0.1 0.750 97.7 57.7 -62.3 -25.7 36.4 36.9 -14.7 18 80 A E G < S+ 0 0 16 -3,-1.8 2,-2.3 1,-0.2 -1,-0.3 0.599 80.4 89.9 -79.8 -14.4 32.7 36.2 -14.7 19 81 A N S < S- 0 0 51 -3,-1.5 -1,-0.2 -4,-0.4 -6,-0.1 -0.547 82.9-152.6 -80.1 74.9 32.2 38.3 -11.6 20 82 A I - 0 0 3 -2,-2.3 -2,-0.1 1,-0.1 -9,-0.1 -0.121 9.7-104.2 -67.0 149.8 31.6 41.2 -13.9 21 83 A S > - 0 0 54 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.136 21.1-116.3 -66.3 157.2 32.4 44.8 -12.8 22 84 A D H > S+ 0 0 89 1,-0.2 4,-4.1 2,-0.2 5,-0.2 0.869 117.5 59.4 -54.8 -39.4 30.0 47.4 -11.8 23 85 A A H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 127,-0.2 0.906 106.0 46.7 -64.3 -34.7 31.1 49.3 -14.8 24 86 A Q H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 126,-0.3 0.947 116.1 44.6 -70.8 -42.0 30.0 46.5 -17.0 25 87 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.946 113.6 50.3 -66.7 -45.8 26.7 46.2 -15.2 26 88 A Q H X S+ 0 0 77 -4,-4.1 4,-2.4 1,-0.2 -1,-0.2 0.876 105.0 57.6 -57.5 -40.4 26.2 49.9 -15.2 27 89 A S H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.896 106.1 51.1 -63.9 -35.2 27.0 50.1 -19.0 28 90 A Q H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.946 108.2 49.0 -63.9 -48.7 24.1 47.7 -19.5 29 91 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 32,-0.2 0.899 108.8 55.8 -55.5 -40.3 21.7 49.7 -17.5 30 92 A D H X S+ 0 0 77 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.914 108.4 47.3 -60.9 -42.2 22.8 52.7 -19.5 31 93 A I H >X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 3,-1.2 0.898 108.9 52.8 -61.1 -46.4 21.9 50.9 -22.7 32 94 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.893 106.2 56.0 -59.5 -37.8 18.5 49.8 -21.4 33 95 A N H 3< S+ 0 0 38 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.648 113.7 39.7 -71.8 -13.7 17.9 53.5 -20.6 34 96 A K H X<>S+ 0 0 93 -3,-1.2 5,-3.1 -4,-0.6 3,-1.7 0.861 117.4 45.9 -91.3 -53.9 18.6 54.4 -24.2 35 97 A D H ><5S+ 0 0 2 -4,-3.0 3,-1.0 1,-0.3 22,-0.3 0.866 114.2 47.5 -61.7 -39.3 16.9 51.6 -25.9 36 98 A F T 3<5S+ 0 0 0 -4,-2.8 23,-1.6 -5,-0.3 22,-0.6 0.472 117.0 44.8 -85.1 0.8 13.7 51.7 -23.8 37 99 A R T < 5S- 0 0 44 -3,-1.7 -1,-0.3 20,-0.2 -2,-0.2 0.265 110.3-117.3-119.2 9.8 13.5 55.4 -24.3 38 100 A K T < 5S+ 0 0 83 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.902 82.7 122.5 51.5 42.9 14.3 55.5 -28.0 39 101 A L < + 0 0 104 -5,-3.1 2,-0.4 3,-0.0 -4,-0.2 0.259 29.6 118.1-114.0 7.1 17.3 57.4 -27.1 40 102 A N > - 0 0 6 -6,-0.7 3,-1.7 1,-0.2 4,-0.1 -0.626 64.1-141.0 -74.0 130.6 19.7 55.0 -28.7 41 103 A S G > S+ 0 0 109 -2,-0.4 3,-1.8 1,-0.3 -1,-0.2 0.819 95.5 69.5 -66.9 -28.7 21.5 57.0 -31.4 42 104 A D G > + 0 0 15 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.448 66.8 96.7 -73.2 5.0 21.5 54.0 -33.7 43 105 A V G X + 0 0 33 -3,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.759 69.0 76.4 -57.8 -20.3 17.7 54.4 -34.0 44 106 A S G < S+ 0 0 99 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.705 78.5 71.9 -62.5 -17.2 18.9 56.3 -37.1 45 107 A Q G < S+ 0 0 98 -3,-2.5 -1,-0.3 192,-0.1 -2,-0.2 0.549 70.3 115.1 -75.7 -6.9 19.4 52.8 -38.6 46 108 A V S < S- 0 0 12 -3,-2.2 5,-0.1 -4,-0.1 177,-0.0 -0.511 78.8-110.2 -68.5 127.0 15.7 52.3 -38.9 47 109 A P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.233 26.2-119.3 -51.7 141.1 14.6 52.1 -42.5 48 110 A S G > S+ 0 0 96 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.817 112.5 67.7 -59.4 -29.3 12.7 55.2 -43.4 49 111 A V G 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.782 114.1 30.2 -58.8 -24.1 9.7 53.0 -44.2 50 112 A W G X> S+ 0 0 12 -3,-2.4 3,-2.5 1,-0.1 4,-0.6 0.324 85.9 107.2-116.9 5.8 9.6 52.3 -40.5 51 113 A S T <4 S+ 0 0 54 -3,-1.1 3,-0.2 -4,-0.5 -2,-0.1 0.686 81.2 52.0 -69.5 -17.6 10.9 55.4 -39.1 52 114 A N T 34 S+ 0 0 147 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.396 102.1 61.9 -91.0 -0.0 7.5 56.5 -37.9 53 115 A L T <4 S+ 0 0 43 -3,-2.5 188,-1.8 187,-0.1 -2,-0.2 0.587 72.1 117.5 -95.8 -14.5 7.0 53.2 -36.1 54 116 A I B < -F 240 0B 16 -4,-0.6 2,-0.4 186,-0.2 186,-0.3 -0.277 54.1-147.6 -66.3 137.7 9.8 53.4 -33.7 55 117 A A - 0 0 2 184,-3.0 2,-0.7 2,-0.0 184,-0.5 -0.832 20.2-147.5-110.5 144.4 8.6 53.5 -30.1 56 118 A D - 0 0 57 -2,-0.4 -19,-0.2 -19,-0.1 -20,-0.1 -0.955 18.4-160.0 -93.3 111.1 9.8 55.1 -26.9 57 119 A L - 0 0 5 -2,-0.7 -20,-0.2 -22,-0.3 -54,-0.2 0.627 24.1-133.5 -72.9 -11.6 8.7 52.5 -24.5 58 120 A G + 0 0 10 -22,-0.6 -55,-2.9 1,-0.2 2,-0.4 0.858 60.6 129.8 65.6 35.4 8.8 55.0 -21.7 59 121 A I E -a 3 0A 0 -23,-1.6 2,-0.3 -57,-0.2 -1,-0.2 -0.974 32.9-178.2-125.2 136.0 10.7 52.7 -19.4 60 122 A E E -a 4 0A 41 -57,-3.0 -55,-3.8 -2,-0.4 2,-0.4 -0.910 10.1-153.2-125.8 161.3 13.8 53.4 -17.5 61 123 A F E -a 5 0A 4 -2,-0.3 2,-0.3 -57,-0.2 -28,-0.1 -0.952 11.0-179.5-131.5 150.9 15.7 51.1 -15.2 62 124 A F E -a 6 0A 79 -57,-2.1 -55,-3.2 -2,-0.4 2,-0.3 -0.991 39.4 -99.4-148.6 149.2 18.0 51.7 -12.3 63 125 A L E -a 7 0A 25 -2,-0.3 -55,-0.2 -57,-0.2 12,-0.1 -0.535 55.5-101.4 -65.3 129.7 19.9 49.4 -10.1 64 126 A A - 0 0 2 -57,-3.3 -1,-0.1 11,-0.3 3,-0.1 -0.190 30.0-166.5 -53.0 143.6 17.9 49.0 -7.0 65 127 A T S S+ 0 0 66 1,-0.2 8,-2.2 10,-0.1 2,-0.4 0.595 76.3 49.9-107.1 -21.5 19.0 51.1 -4.1 66 128 A K B S-G 72 0C 96 6,-0.3 6,-0.2 8,-0.1 -1,-0.2 -0.970 79.2-139.9-117.6 138.1 17.0 49.2 -1.5 67 129 A D > - 0 0 27 4,-3.6 3,-2.6 -2,-0.4 6,-0.1 -0.228 42.9 -84.5 -85.1 179.7 17.0 45.5 -1.3 68 130 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.765 132.2 50.8 -64.9 -18.4 13.8 43.5 -0.6 69 131 A N T 3 S- 0 0 135 2,-0.1 3,-0.1 3,-0.0 -3,-0.0 0.391 122.2-105.3 -93.5 0.8 14.3 44.1 3.1 70 132 A G S < S+ 0 0 45 -3,-2.6 2,-0.1 1,-0.3 3,-0.1 0.417 77.4 136.3 88.7 1.1 14.7 47.8 2.7 71 133 A N - 0 0 100 1,-0.1 -4,-3.6 -5,-0.1 -1,-0.3 -0.458 65.7 -90.8 -76.7 153.4 18.4 47.7 3.2 72 134 A Q B +G 66 0C 135 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.3 -0.350 52.0 177.0 -62.7 142.9 20.7 49.6 1.0 73 135 A T - 0 0 25 -8,-2.2 4,-0.1 -3,-0.1 -1,-0.0 -0.973 42.4-136.7-142.0 154.4 21.9 47.7 -1.9 74 136 A T - 0 0 91 2,-0.3 3,-0.1 -2,-0.3 -9,-0.1 0.543 53.6-117.2 -79.2 -13.0 24.1 48.4 -4.9 75 137 A G S S+ 0 0 0 1,-0.2 -66,-3.1 -12,-0.1 2,-0.5 0.543 87.2 101.0 85.6 9.1 21.4 46.5 -6.8 76 138 A I E -c 9 0A 13 -68,-0.2 2,-0.4 -13,-0.1 -2,-0.3 -0.995 53.0-167.7-127.0 126.1 24.0 43.9 -7.8 77 139 A T E -c 10 0A 22 -68,-3.3 -66,-3.5 -2,-0.5 2,-0.4 -0.849 7.0-157.8-107.2 150.0 24.3 40.6 -6.0 78 140 A R E -c 11 0A 85 -2,-0.4 2,-0.5 -68,-0.2 -66,-0.2 -0.990 11.6-178.4-131.8 123.8 27.3 38.5 -6.6 79 141 A T E -c 12 0A 27 -68,-2.9 -66,-2.8 -2,-0.4 2,-0.3 -0.977 19.9-140.6-130.1 120.4 27.2 34.9 -6.0 80 142 A Q E -c 13 0A 125 -2,-0.5 2,-0.3 -68,-0.2 -66,-0.2 -0.598 27.4-176.4 -78.7 141.3 30.0 32.5 -6.4 81 143 A T - 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