==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-06 2OA9 . COMPND 2 MOLECULE: R.MVAI; . SOURCE 2 ORGANISM_SCIENTIFIC: KOCURIA VARIANS; . AUTHOR M.KAUS-DROBEK,H.CZAPINSKA,M.SOKOLOWSKA,G.TAMULAITIS, . 471 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 4 0.8 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 . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 1 1 0 2 1 1 2 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 3 2 2 6 2 1 1 0 0 2 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 3 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 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 -2 A M 0 0 229 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.5 48.2 -32.0 40.8 2 -1 A K + 0 0 207 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.526 360.0 176.1 -88.2 139.1 48.8 -28.2 40.8 3 0 A S + 0 0 122 -2,-0.2 2,-0.3 2,-0.0 3,-0.0 -0.978 4.1 163.9-133.1 152.5 51.4 -26.4 38.6 4 1 A M - 0 0 97 -2,-0.3 2,-0.1 0, 0.0 3,-0.0 -0.977 47.0 -67.4-155.7 167.1 52.1 -22.7 38.2 5 2 A S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.392 37.0-143.6 -56.2 130.6 54.7 -20.3 36.8 6 3 A E H > S+ 0 0 172 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.912 101.2 48.5 -62.1 -42.5 57.9 -20.4 39.0 7 4 A Y H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.948 111.1 48.5 -65.9 -46.6 58.4 -16.6 38.6 8 5 A L H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 106.2 57.9 -61.0 -38.6 54.8 -15.8 39.4 9 6 A N H X S+ 0 0 74 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.937 111.0 43.0 -55.5 -45.8 55.0 -18.0 42.5 10 7 A L H X S+ 0 0 38 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.890 113.8 50.1 -68.3 -42.4 57.9 -15.9 43.8 11 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.931 112.0 47.7 -62.7 -45.6 56.4 -12.6 42.9 12 9 A K H X S+ 0 0 52 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.897 112.2 50.4 -61.6 -43.3 53.1 -13.5 44.6 13 10 A E H X S+ 0 0 80 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.905 110.5 49.7 -59.2 -43.5 55.1 -14.7 47.7 14 11 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.924 113.9 44.2 -62.0 -48.1 57.0 -11.4 47.7 15 12 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.912 112.0 53.5 -65.4 -40.3 53.9 -9.3 47.5 16 13 A Q H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 108.6 50.4 -60.9 -38.8 52.1 -11.4 50.1 17 14 A N H < S+ 0 0 65 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.854 110.6 48.2 -68.9 -36.7 55.1 -10.9 52.4 18 15 A V H >< S+ 0 0 5 -4,-1.8 3,-1.4 2,-0.2 164,-0.3 0.954 114.2 46.3 -67.5 -47.5 55.0 -7.1 52.0 19 16 A V H >< S+ 0 0 7 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.949 115.2 46.0 -60.4 -45.4 51.2 -7.0 52.6 20 17 A D T 3< S+ 0 0 100 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.421 91.0 87.9 -78.7 3.0 51.4 -9.2 55.6 21 18 A G T < S- 0 0 39 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.369 79.9-150.7 -86.0 5.2 54.3 -7.3 57.0 22 19 A G < + 0 0 22 -3,-0.9 160,-0.5 160,-0.2 2,-0.3 -0.276 59.8 10.8 64.8-144.8 52.2 -4.8 58.9 23 20 A W - 0 0 88 158,-0.2 2,-0.5 156,-0.1 158,-0.2 -0.565 68.5-164.6 -74.7 129.4 53.6 -1.3 59.4 24 21 A H E -A 180 0A 28 156,-2.8 156,-2.1 -2,-0.3 2,-0.1 -0.962 18.1-126.6-117.0 127.2 56.7 -0.5 57.5 25 22 A E E +A 179 0A 102 -2,-0.5 2,-0.3 154,-0.2 154,-0.2 -0.447 36.0 177.2 -68.6 145.6 58.9 2.5 58.3 26 23 A T E -A 178 0A 12 152,-2.1 152,-0.6 -2,-0.1 9,-0.0 -0.999 42.2-143.5-151.8 153.2 59.7 4.9 55.4 27 24 A K 0 0 197 -2,-0.3 152,-0.1 150,-0.1 -2,-0.0 0.121 360.0 360.0-101.5 16.0 61.5 8.1 54.5 28 25 A R 0 0 153 3,-0.1 3,-0.2 150,-0.1 4,-0.1 0.411 360.0 360.0 20.4 360.0 58.7 9.0 51.9 29 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 30 29 A T > 0 0 165 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -14.7 54.4 9.1 45.4 31 30 A G H > + 0 0 13 1,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.803 360.0 52.1 -57.6 -42.5 55.3 7.7 48.9 32 31 A I H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.953 116.3 39.8 -62.0 -50.9 52.9 4.8 49.1 33 32 A G H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 115.6 49.6 -66.6 -44.4 54.0 3.3 45.8 34 33 A K H X S+ 0 0 95 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 109.2 52.0 -67.4 -37.0 57.7 4.0 46.1 35 34 A T H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.922 109.3 51.2 -63.1 -41.6 57.8 2.5 49.6 36 35 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.920 108.2 51.8 -59.8 -43.5 56.1 -0.6 48.2 37 36 A E H X S+ 0 0 96 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.897 109.6 50.6 -58.2 -43.1 58.8 -0.8 45.4 38 37 A D H X S+ 0 0 59 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.875 110.8 47.6 -60.6 -39.8 61.5 -0.6 48.1 39 38 A L H X S+ 0 0 20 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.874 109.6 53.0 -73.8 -34.2 60.0 -3.4 50.1 40 39 A L H X S+ 0 0 6 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.897 104.7 56.0 -67.6 -38.3 59.6 -5.6 47.1 41 40 A E H >X S+ 0 0 88 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.890 105.2 52.8 -58.7 -40.7 63.3 -5.0 46.3 42 41 A K H 3X S+ 0 0 124 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.836 101.1 61.3 -65.7 -33.8 64.1 -6.4 49.8 43 42 A E H 3X S+ 0 0 24 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.761 89.4 69.4 -62.9 -27.3 62.1 -9.5 49.1 44 43 A E H S+ 0 0 10 -4,-1.0 5,-2.3 -3,-0.6 4,-0.7 0.959 106.4 39.8 -51.6 -49.9 64.4 -10.4 46.1 45 44 A D H ><5S+ 0 0 122 -4,-0.7 3,-0.6 -3,-0.3 -2,-0.2 0.921 114.1 52.5 -65.7 -46.1 67.1 -11.2 48.6 46 45 A N H 3<5S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.726 122.2 31.5 -64.7 -24.6 64.9 -12.8 51.2 47 46 A L H 3<5S- 0 0 31 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.400 101.8-128.2-107.3 -4.2 63.4 -15.2 48.6 48 47 A D T <<5 + 0 0 144 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.973 57.0 158.6 43.3 60.8 66.6 -15.4 46.4 49 48 A A < - 0 0 16 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.707 47.2-101.0-105.8 158.6 64.3 -14.5 43.5 50 49 A P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.253 67.4 -60.9 -68.4 172.5 65.2 -13.0 40.2 51 50 A D - 0 0 88 1,-0.1 2,-0.7 -2,-0.0 -10,-0.1 -0.299 34.4-153.3 -69.7 137.1 64.6 -9.4 39.8 52 51 A F + 0 0 10 -3,-0.1 3,-0.4 -12,-0.1 2,-0.2 -0.594 48.3 146.6 -98.3 61.6 61.1 -8.0 40.3 53 52 A H + 0 0 89 -2,-0.7 3,-0.1 1,-0.2 0, 0.0 -0.593 46.8 29.7-100.0 162.4 61.9 -5.1 38.0 54 53 A D S S+ 0 0 112 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.837 76.6 137.3 58.8 35.0 59.7 -3.2 35.6 55 54 A I - 0 0 15 -3,-0.4 2,-0.3 107,-0.1 -1,-0.2 -0.970 51.8-136.0-103.7 116.1 56.5 -3.9 37.6 56 55 A E E -b 164 0A 100 107,-1.2 109,-2.7 -2,-0.6 2,-0.5 -0.565 19.1-161.4 -75.4 136.2 54.5 -0.7 37.7 57 56 A I E +b 165 0A 7 -2,-0.3 2,-0.3 107,-0.2 109,-0.2 -0.982 20.5 152.9-121.5 121.9 53.2 0.1 41.1 58 57 A K E -b 166 0A 55 107,-2.1 109,-2.4 -2,-0.5 2,-0.1 -0.970 39.4-116.5-140.5 156.7 50.3 2.5 41.7 59 58 A T E > -b 167 0A 18 -2,-0.3 4,-3.0 107,-0.2 109,-0.2 -0.437 37.5-107.3 -79.0 166.9 47.5 3.1 44.2 60 59 A H H > S+ 0 0 1 107,-1.4 4,-1.8 1,-0.2 5,-0.1 0.898 123.0 52.7 -60.8 -37.9 43.9 2.8 43.1 61 60 A E H > S+ 0 0 68 381,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.922 113.4 39.8 -63.8 -44.8 43.7 6.6 43.4 62 61 A T H >4 S+ 0 0 43 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.885 111.3 58.9 -74.4 -39.2 46.7 7.2 41.2 63 62 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 172,-1.0 0.891 98.8 59.5 -54.7 -36.9 45.7 4.4 38.8 64 63 A A H 3< S+ 0 0 44 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 109.2 43.5 -66.8 -24.8 42.4 6.2 38.2 65 64 A K T << S+ 0 0 156 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.3 0.378 100.6 94.1 -96.3 4.5 44.4 9.3 36.9 66 65 A S < - 0 0 25 -3,-1.7 168,-2.4 -4,-0.3 2,-0.5 -0.801 57.4-154.6-112.4 136.7 46.9 7.2 34.8 67 66 A L E -E 233 0B 97 -2,-0.4 2,-0.4 166,-0.2 166,-0.2 -0.941 17.0-156.9-107.8 122.0 46.9 6.3 31.2 68 67 A L E -E 232 0B 23 164,-3.0 164,-2.4 -2,-0.5 2,-0.7 -0.822 9.8-146.2 -99.2 131.5 48.8 3.2 30.3 69 68 A T E -E 231 0B 62 -2,-0.4 162,-0.2 162,-0.2 3,-0.1 -0.902 10.9-169.5 -90.3 114.3 50.3 2.4 26.9 70 69 A L E - 0 0 15 160,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.916 63.1 -42.9 -68.5 -45.7 50.1 -1.4 26.6 71 70 A F E -E 230 0B 9 159,-0.8 159,-2.6 -3,-0.1 2,-0.4 -0.957 50.5-117.0-171.2 168.7 52.2 -1.4 23.4 72 71 A T E +E 229 0B 56 -2,-0.3 2,-0.3 157,-0.2 157,-0.2 -0.949 36.4 161.0-119.2 142.6 52.8 0.4 20.1 73 72 A K - 0 0 55 155,-2.4 154,-0.1 -2,-0.4 3,-0.1 -0.834 30.7-132.4-167.2 126.7 52.3 -1.3 16.8 74 73 A S - 0 0 44 -2,-0.3 -2,-0.0 1,-0.2 151,-0.0 -0.332 48.8 -76.6 -71.7 154.2 51.7 -0.3 13.2 75 74 A P - 0 0 15 0, 0.0 73,-0.3 0, 0.0 6,-0.2 -0.100 27.1-139.7 -52.2 143.5 49.0 -1.8 11.0 76 75 A T S S+ 0 0 60 71,-1.5 72,-0.2 1,-0.2 -2,-0.1 0.875 75.9 79.0 -63.7 -40.3 49.5 -5.3 9.6 77 76 A N B S+I 147 0C 56 70,-2.0 70,-2.1 2,-0.1 -1,-0.2 -0.981 83.8 13.0-144.3 146.0 47.9 -4.1 6.3 78 77 A P S > S- 0 0 42 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.738 85.4-108.8 -73.7 176.7 48.5 -2.7 3.8 79 78 A R T 3 S+ 0 0 251 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.1 -0.384 107.7 19.2 -58.9 139.9 52.2 -2.3 3.7 80 79 A G T 3> S+ 0 0 46 -5,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.757 80.8 150.3 67.8 22.8 53.0 1.4 4.3 81 80 A A H <> + 0 0 3 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.873 66.1 54.6 -52.6 -43.5 49.6 2.0 5.9 82 81 A N H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.0 49.7 -68.4 -33.7 50.9 4.7 8.2 83 82 A T H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.917 111.5 48.8 -64.5 -43.7 52.3 6.7 5.3 84 83 A M H X S+ 0 0 38 -4,-2.1 4,-2.9 1,-0.2 5,-0.5 0.931 110.3 52.2 -60.2 -43.7 49.0 6.4 3.4 85 84 A L H X>S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 5,-0.6 0.927 112.5 43.0 -63.1 -43.9 47.0 7.5 6.4 86 85 A R H X5S+ 0 0 9 -4,-2.2 4,-1.3 3,-0.2 -1,-0.2 0.947 119.1 42.2 -69.0 -44.0 49.0 10.6 7.0 87 86 A N H <5S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 124.6 34.6 -71.2 -41.7 49.2 11.7 3.4 88 87 A R H <5S+ 0 0 140 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.945 135.6 17.5 -79.0 -48.9 45.6 10.9 2.4 89 88 A Y H <5S+ 0 0 4 -4,-1.9 27,-0.3 -5,-0.5 28,-0.3 0.521 106.3 89.3-107.6 -6.7 43.7 11.7 5.6 90 89 A G << - 0 0 15 -4,-1.3 2,-0.3 -5,-0.6 10,-0.2 0.037 67.8-116.0 -84.7-167.1 46.1 13.9 7.6 91 90 A K E -L 99 0D 81 8,-2.6 8,-2.5 6,-0.1 2,-0.2 -0.860 31.3 -92.0-131.2 160.5 46.6 17.7 7.8 92 91 A K E -L 98 0D 161 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.514 39.2-152.8 -75.3 136.2 49.5 19.9 6.9 93 92 A D > - 0 0 27 4,-1.9 3,-1.8 -2,-0.2 -1,-0.1 -0.273 44.4 -71.7 -91.2-171.4 51.9 20.8 9.7 94 93 A E T 3 S+ 0 0 159 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.828 133.2 45.5 -43.8 -43.4 54.1 23.9 10.2 95 94 A Y T 3 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.234 119.4 -98.9 -96.4 7.1 56.4 22.7 7.4 96 95 A G S < S+ 0 0 44 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.588 83.3 125.8 87.3 7.3 53.9 21.6 4.7 97 96 A N - 0 0 30 116,-0.1 -4,-1.9 125,-0.0 -1,-0.3 -0.840 63.1-113.9-102.0 137.3 54.1 17.9 5.6 98 97 A N E +L 92 0D 30 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.468 37.3 175.7 -71.8 139.5 51.1 15.8 6.3 99 98 A I E -L 91 0D 38 -8,-2.5 -8,-2.6 -2,-0.2 2,-0.4 -0.930 18.3-156.2-136.5 156.8 50.6 14.5 9.8 100 99 A L E +F 211 0B 0 111,-2.6 111,-3.0 -2,-0.3 2,-0.5 -0.897 17.9 165.2-139.2 109.7 47.9 12.5 11.6 101 100 A H E +F 210 0B 80 -2,-0.4 2,-0.3 109,-0.2 109,-0.2 -0.941 23.3 139.1-123.6 110.2 47.5 12.6 15.4 102 101 A Q E -F 209 0B 31 107,-2.3 107,-2.6 -2,-0.5 2,-0.5 -0.981 46.4-136.4-156.3 131.7 44.1 11.3 16.5 103 102 A T E -F 208 0B 64 -2,-0.3 2,-0.4 105,-0.3 105,-0.2 -0.796 31.3-170.0 -85.2 126.1 42.8 9.1 19.3 104 103 A V E -F 207 0B 0 103,-2.8 103,-2.8 -2,-0.5 2,-0.2 -0.925 6.1-172.2-120.9 141.5 40.3 6.6 17.9 105 104 A S - 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