==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-13 4J94 . COMPND 2 MOLECULE: MEMBRANE-ANCHORED MYCOSIN MYCP1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR M.SOLOMONSON,G.A.WASNEY,N.WATANABE,R.J.GRUNINGER,G.PREHNA, . 380 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.2 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 1 0 0 1 1 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 0 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 PARALLEL BRIDGES PER LADDER . 8 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 24 A I 0 0 51 0, 0.0 240,-0.1 0, 0.0 239,-0.1 0.000 360.0 360.0 360.0 151.6 11.3 4.5 -27.0 2 25 A D - 0 0 128 1,-0.1 3,-0.1 237,-0.1 0, 0.0 -0.741 360.0 -76.6-116.1 166.4 10.2 0.9 -27.6 3 26 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 247,-0.1 -0.399 66.4 -93.9 -60.6 147.3 7.4 -1.1 -26.1 4 27 A P - 0 0 22 0, 0.0 376,-0.4 0, 0.0 2,-0.4 -0.257 34.2-138.0 -66.0 149.5 8.5 -2.3 -22.6 5 28 A V - 0 0 111 -3,-0.1 2,-0.4 374,-0.1 191,-0.1 -0.863 17.6-128.9-107.5 145.1 10.1 -5.7 -22.1 6 29 A I - 0 0 35 374,-2.2 2,-1.0 -2,-0.4 3,-0.1 -0.798 5.8-151.6-103.5 132.1 9.1 -7.8 -19.1 7 30 A D > - 0 0 90 -2,-0.4 3,-2.2 186,-0.3 190,-0.1 -0.813 14.0-166.2 -93.6 92.0 11.5 -9.5 -16.7 8 31 A A T 3 S+ 0 0 61 -2,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.733 81.8 59.1 -55.2 -24.1 9.3 -12.5 -15.7 9 32 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.677 84.2 78.5 -79.4 -17.9 11.6 -13.2 -12.8 10 33 A A < + 0 0 29 -3,-2.2 -1,-0.2 183,-0.2 188,-0.2 0.034 55.9 151.5 -89.1 30.0 11.2 -9.9 -10.9 11 34 A V - 0 0 56 -3,-0.5 184,-0.1 186,-0.2 183,-0.1 -0.391 43.6-128.0 -59.4 129.2 7.8 -10.6 -9.3 12 35 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.357 30.8 -86.9 -78.1 163.0 7.6 -8.5 -6.1 13 36 A P - 0 0 73 0, 0.0 2,-1.9 0, 0.0 154,-0.1 -0.338 40.3-107.8 -68.1 152.5 6.6 -10.1 -2.8 14 37 A D S S+ 0 0 69 152,-0.1 2,-0.4 -3,-0.1 150,-0.1 -0.584 71.4 135.9 -80.6 82.1 2.9 -10.4 -1.9 15 38 A E - 0 0 118 -2,-1.9 152,-0.1 2,-0.1 151,-0.1 -0.986 44.3-139.7-135.6 141.8 3.1 -7.6 0.8 16 39 A T + 0 0 79 -2,-0.4 70,-0.2 73,-0.1 68,-0.1 -0.244 52.3 74.2 -90.4-179.3 0.8 -4.7 1.6 17 40 A G S S- 0 0 10 68,-2.3 72,-0.1 71,-0.2 69,-0.1 -0.032 79.9 -60.1 98.7 158.8 1.7 -1.2 2.7 18 41 A P - 0 0 30 0, 0.0 69,-0.2 0, 0.0 139,-0.1 -0.287 39.8-119.1 -74.6 158.2 3.1 1.9 0.9 19 42 A D S S+ 0 0 44 67,-0.3 68,-0.1 1,-0.2 138,-0.1 0.845 102.3 9.2 -63.7 -35.7 6.5 2.1 -0.8 20 43 A Q S S- 0 0 122 67,-0.1 -1,-0.2 121,-0.0 -3,-0.0 -0.978 103.0 -78.9-141.5 154.0 7.5 4.8 1.7 21 44 A P - 0 0 77 0, 0.0 119,-2.2 0, 0.0 120,-0.6 -0.181 50.9-151.3 -55.7 142.2 5.8 6.1 4.9 22 45 A T E -A 139 0A 33 117,-0.3 2,-0.3 65,-0.2 67,-0.1 -0.678 13.5-166.5-114.0 166.1 2.9 8.5 4.2 23 46 A E E -A 138 0A 87 115,-2.7 115,-2.6 -2,-0.2 2,-0.3 -0.925 35.5 -91.5-140.6 165.7 1.2 11.4 6.1 24 47 A Q E +A 137 0A 99 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.638 36.9 171.3 -84.6 138.9 -2.0 13.2 5.6 25 48 A R + 0 0 117 111,-3.8 2,-0.3 -2,-0.3 112,-0.2 0.613 64.6 23.8-113.5 -24.6 -2.0 16.3 3.3 26 49 A K S S- 0 0 120 110,-1.2 -1,-0.3 3,-0.0 3,-0.1 -0.981 86.2 -91.4-146.5 151.7 -5.7 17.1 2.9 27 50 A I - 0 0 150 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.292 58.6 -90.8 -59.7 147.5 -9.0 16.6 4.8 28 51 A a - 0 0 58 1,-0.1 70,-0.2 108,-0.1 2,-0.2 -0.409 49.2-128.9 -64.4 139.9 -10.9 13.4 3.6 29 52 A A - 0 0 38 68,-2.8 70,-0.4 -3,-0.1 -1,-0.1 -0.542 16.6-158.6 -97.5 157.2 -13.2 14.2 0.8 30 53 A T - 0 0 86 -2,-0.2 67,-0.0 68,-0.1 259,-0.0 -1.000 20.9-123.2-133.3 131.6 -17.0 13.4 0.3 31 54 A P + 0 0 9 0, 0.0 267,-0.3 0, 0.0 2,-0.2 -0.205 33.1 179.2 -68.9 165.9 -18.8 13.2 -3.1 32 55 A T B -B 297 0B 53 265,-2.7 264,-1.8 273,-0.2 265,-1.3 -0.657 23.0 -91.5-145.5-159.6 -21.8 15.4 -3.8 33 56 A V - 0 0 62 262,-0.2 3,-0.1 -2,-0.2 262,-0.1 -0.945 25.1-118.0-129.0 151.6 -24.4 16.3 -6.4 34 57 A X > - 0 0 61 -2,-0.3 3,-0.8 1,-0.1 263,-0.1 -0.598 49.6 -96.9 -73.8 146.1 -24.7 18.8 -9.2 35 58 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.346 106.6 19.8 -61.4 149.0 -27.7 21.1 -8.6 36 59 A N T 3 S+ 0 0 172 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.826 85.7 161.1 59.7 36.8 -30.9 20.0 -10.5 37 60 A S < - 0 0 40 -3,-0.8 2,-0.5 2,-0.0 -1,-0.2 -0.620 29.9-152.2 -84.9 148.4 -29.8 16.5 -11.0 38 61 A N + 0 0 95 -2,-0.2 3,-0.4 1,-0.1 78,-0.0 -0.914 16.8 175.8-125.4 103.8 -32.3 13.8 -11.9 39 62 A F S S+ 0 0 47 -2,-0.5 78,-3.4 1,-0.2 79,-0.3 0.435 71.7 75.5 -92.4 0.7 -31.3 10.4 -10.7 40 63 A A S S+ 0 0 72 76,-0.3 -1,-0.2 77,-0.1 76,-0.1 0.854 85.6 77.3 -72.2 -37.6 -34.5 8.7 -11.7 41 64 A D S S- 0 0 102 -3,-0.4 76,-0.4 1,-0.1 3,-0.1 -0.346 99.7 -98.9 -63.6 152.1 -33.3 8.9 -15.4 42 65 A R - 0 0 85 1,-0.1 76,-0.1 74,-0.1 -1,-0.1 -0.470 44.9-100.8 -63.2 145.1 -30.7 6.4 -16.5 43 66 A P >> - 0 0 8 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.454 34.3-114.7 -60.4 144.6 -27.2 7.8 -16.5 44 67 A W H 3> S+ 0 0 42 240,-0.3 4,-2.7 1,-0.3 5,-0.2 0.842 116.3 59.0 -56.4 -32.5 -26.2 8.7 -20.0 45 68 A A H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.870 100.5 55.0 -63.1 -36.6 -23.5 6.0 -20.0 46 69 A N H <4>S+ 0 0 4 -3,-1.0 5,-1.9 1,-0.2 6,-0.5 0.839 113.7 41.1 -66.7 -34.6 -26.1 3.3 -19.3 47 70 A D H ><5S+ 0 0 107 -4,-1.3 3,-0.5 3,-0.2 -2,-0.2 0.890 115.0 50.7 -76.6 -42.3 -28.1 4.3 -22.3 48 71 A Y H 3<5S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.919 117.5 38.9 -62.6 -44.2 -25.1 4.9 -24.5 49 72 A L T 3<5S- 0 0 3 -4,-2.8 314,-0.4 -5,-0.2 -1,-0.2 0.498 104.6-127.3 -86.7 -3.8 -23.6 1.4 -23.7 50 73 A R T <>5 + 0 0 93 -3,-0.5 4,-2.7 -4,-0.3 5,-0.2 0.903 45.1 167.4 56.2 45.4 -27.0 -0.3 -23.7 51 74 A I H >< + 0 0 0 -5,-1.9 4,-2.5 1,-0.2 5,-0.2 0.909 69.2 53.4 -58.8 -44.2 -26.3 -1.7 -20.2 52 75 A Q H 4 S+ 0 0 128 -6,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.922 112.0 44.6 -58.4 -44.6 -29.9 -2.9 -19.6 53 76 A E H >4 S+ 0 0 81 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.918 112.2 52.8 -66.0 -41.1 -29.9 -4.8 -22.9 54 77 A A H >X S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 4,-0.7 0.870 99.8 63.3 -61.3 -36.4 -26.4 -6.3 -22.2 55 78 A Q T 3< S+ 0 0 40 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.557 84.5 74.8 -71.8 -5.7 -27.6 -7.5 -18.7 56 79 A K T <4 S+ 0 0 152 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.728 105.2 38.4 -67.3 -21.0 -30.1 -9.8 -20.4 57 80 A F T <4 S- 0 0 59 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.616 131.0 -5.7-107.2 -18.3 -27.0 -11.9 -21.2 58 81 A A < - 0 0 5 -4,-0.7 -1,-0.3 1,-0.1 265,-0.1 -0.956 37.2-170.3-171.4 154.2 -24.8 -11.6 -18.1 59 82 A T - 0 0 34 -2,-0.3 65,-2.4 263,-0.1 66,-0.5 0.348 60.0-100.2-131.2 -4.0 -24.7 -9.8 -14.7 60 83 A G > + 0 0 0 1,-0.2 3,-2.0 263,-0.2 66,-0.3 0.523 61.6 167.9 92.6 7.6 -21.2 -10.7 -13.6 61 84 A A T 3 + 0 0 38 1,-0.3 -1,-0.2 64,-0.1 64,-0.2 -0.300 66.8 16.6 -57.3 133.1 -22.4 -13.4 -11.2 62 85 A G T 3 S+ 0 0 80 62,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.469 102.1 113.5 84.3 2.6 -19.6 -15.7 -10.0 63 86 A V < - 0 0 6 -3,-2.0 63,-2.5 61,-0.2 2,-0.5 -0.873 53.7-150.7-112.0 138.9 -16.9 -13.2 -11.0 64 87 A T E -d 126 0C 7 -2,-0.4 110,-2.2 108,-0.2 111,-1.5 -0.948 10.4-165.0-110.0 126.1 -14.6 -11.3 -8.6 65 88 A V E -de 127 175C 0 61,-3.1 63,-2.6 -2,-0.5 2,-0.5 -0.952 9.2-147.6-112.5 125.1 -13.3 -7.8 -9.7 66 89 A A E -de 128 176C 0 109,-3.2 111,-3.4 -2,-0.5 2,-0.8 -0.799 7.5-155.5 -89.1 129.9 -10.4 -6.1 -7.9 67 90 A V E -de 129 177C 0 61,-3.5 63,-2.2 -2,-0.5 2,-0.9 -0.887 5.4-168.0-107.2 102.6 -10.6 -2.4 -7.8 68 91 A I E +de 130 178C 0 109,-3.0 111,-2.3 -2,-0.8 112,-0.4 -0.804 49.2 96.8 -93.1 105.9 -7.1 -0.9 -7.4 69 92 A D E S-d 131 0C 0 61,-2.0 63,-2.8 -2,-0.9 64,-2.0 -0.463 90.6 -41.6-160.6-144.1 -8.0 2.7 -6.5 70 93 A T S S- 0 0 8 1,-0.4 27,-0.7 61,-0.2 28,-0.4 0.230 92.0 -90.5 -97.3 15.8 -8.4 5.1 -3.5 71 94 A G - 0 0 0 59,-0.4 2,-0.4 -4,-0.2 -1,-0.4 -0.215 42.3-101.9 94.9 167.7 -10.3 2.6 -1.3 72 95 A V - 0 0 0 21,-1.8 2,-1.1 29,-0.2 57,-0.1 -0.985 6.7-146.9-134.4 125.9 -14.0 2.1 -1.1 73 96 A N - 0 0 42 -2,-0.4 219,-0.2 22,-0.2 22,-0.1 -0.803 41.6-144.0 -83.7 102.1 -16.5 3.2 1.5 74 97 A G + 0 0 35 -2,-1.1 28,-0.0 20,-0.3 22,-0.0 -0.188 30.0 163.4 -75.0 160.8 -18.8 0.2 1.2 75 98 A S B > -M 78 0D 17 3,-1.4 3,-0.6 217,-0.1 5,-0.1 -0.921 56.2 -83.6-158.9 172.0 -22.5 -0.1 1.4 76 99 A P T 3 S+ 0 0 120 0, 0.0 216,-0.1 0, 0.0 35,-0.1 0.865 131.2 44.9 -55.3 -35.8 -25.2 -2.6 0.4 77 100 A R T 3 S+ 0 0 33 1,-0.3 34,-2.4 214,-0.2 215,-0.1 0.680 124.4 34.2 -83.5 -17.1 -25.2 -1.3 -3.1 78 101 A V B < S+M 75 0D 0 -3,-0.6 2,-2.1 32,-0.2 -3,-1.4 -0.623 77.6 176.1-129.0 70.6 -21.4 -1.2 -3.3 79 102 A P + 0 0 46 0, 0.0 48,-0.4 0, 0.0 -5,-0.1 -0.224 11.8 170.0 -82.8 53.7 -20.6 -4.2 -1.2 80 103 A A - 0 0 12 -2,-2.1 48,-0.2 -5,-0.1 -6,-0.1 -0.200 23.0-142.0 -59.6 151.1 -16.8 -4.2 -1.6 81 104 A E E -f 128 0C 80 46,-2.9 48,-2.9 -7,-0.0 2,-0.2 -0.843 32.4 -86.0-113.4 154.4 -14.7 -6.5 0.5 82 105 A P E +f 129 0C 75 0, 0.0 11,-0.2 0, 0.0 48,-0.2 -0.373 44.7 166.9 -67.2 128.6 -11.2 -5.6 2.0 83 106 A G E - 0 0 3 46,-2.5 10,-0.2 9,-0.8 47,-0.2 0.340 54.2 -87.1-120.7 3.2 -8.3 -6.2 -0.4 84 107 A G E - 0 0 11 8,-2.4 47,-2.1 45,-0.4 2,-0.5 -0.224 32.6 -95.3 113.5 162.7 -5.6 -4.4 1.5 85 108 A D E +f 131 0C 6 6,-0.6 -68,-2.3 45,-0.2 47,-0.2 -0.966 26.8 171.8-124.4 127.0 -4.0 -1.0 1.9 86 109 A F S S+ 0 0 2 45,-3.3 -67,-0.3 -2,-0.5 46,-0.1 0.093 81.6 51.9-119.6 17.9 -0.9 0.2 -0.0 87 110 A V S S+ 0 0 8 1,-0.4 2,-0.4 44,-0.2 -65,-0.2 0.665 108.5 42.8-118.0 -44.4 -1.1 3.8 1.1 88 111 A D S S- 0 0 50 43,-0.2 -1,-0.4 1,-0.1 -71,-0.2 -0.863 78.0-130.6-105.9 142.5 -1.4 3.5 4.9 89 112 A A S S+ 0 0 90 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.659 102.0 39.6 -64.8 -16.5 0.8 1.1 6.9 90 113 A A S S+ 0 0 81 -6,-0.0 2,-0.3 -73,-0.0 -1,-0.2 -0.878 89.8 90.8-139.1 106.6 -2.4 -0.1 8.7 91 114 A G - 0 0 45 -2,-0.4 -6,-0.6 -3,-0.2 -74,-0.0 -0.966 56.0-135.8-176.4 176.9 -5.6 -0.5 6.7 92 115 A N - 0 0 70 -8,-0.3 -8,-2.4 -2,-0.3 -9,-0.8 0.321 53.9-100.3-135.9 4.6 -7.7 -2.9 4.6 93 116 A G S S+ 0 0 1 -10,-0.2 -21,-1.8 -11,-0.2 39,-0.1 0.472 95.8 106.5 88.9 1.9 -8.8 -0.9 1.6 94 117 A X + 0 0 43 -23,-0.2 2,-0.5 1,-0.1 -20,-0.3 0.099 58.0 85.6-101.7 24.0 -12.3 -0.2 2.9 95 118 A S - 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