==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-MAR-06 2CGH . COMPND 2 MOLECULE: BIOTIN LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.MA,M.WILMANNS . 480 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 24.8 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 40 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 0 2 1 3 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 PARALLEL BRIDGES PER LADDER . 0 1 2 8 2 2 0 2 2 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 0 0 0 0 0 0 2 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 8 A R 0 0 144 0, 0.0 61,-0.1 0, 0.0 154,-0.0 0.000 360.0 360.0 360.0 121.8 33.2 70.1 -5.5 2 9 A P - 0 0 99 0, 0.0 156,-0.1 0, 0.0 2,-0.1 -0.247 360.0-111.1 -64.1 154.3 34.5 73.7 -5.5 3 10 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 156,-0.1 -0.368 32.3 -95.9 -80.7 162.9 38.0 74.2 -4.0 4 11 A L - 0 0 13 -2,-0.1 2,-0.9 154,-0.1 3,-0.1 -0.543 33.3-131.8 -73.9 146.4 38.8 76.0 -0.7 5 12 A D > - 0 0 84 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.869 21.3-171.6-107.1 91.5 39.7 79.7 -1.3 6 13 A E H > S+ 0 0 61 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.867 81.9 52.0 -51.8 -43.1 42.9 80.1 0.7 7 14 A R H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 109.1 49.2 -67.4 -41.1 43.0 83.9 0.2 8 15 A S H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 110.5 51.2 -62.1 -43.7 39.5 84.4 1.3 9 16 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.929 111.4 47.4 -61.1 -43.9 40.0 82.3 4.5 10 17 A R H X S+ 0 0 84 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.940 110.4 51.8 -59.7 -50.5 43.2 84.3 5.3 11 18 A D H < S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.5 40.2 -54.0 -41.4 41.4 87.7 4.8 12 19 A Q H < S+ 0 0 94 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.815 123.6 33.8 -76.0 -34.3 38.6 86.5 7.1 13 20 A L H < S+ 0 0 18 -4,-2.2 7,-0.6 -5,-0.2 2,-0.5 0.662 100.0 74.0-107.4 -19.9 40.5 84.8 9.8 14 21 A I B < +a 20 0A 65 -4,-2.4 2,-0.3 -5,-0.2 7,-0.1 -0.887 60.8 118.8-104.3 127.5 43.8 86.6 10.3 15 22 A G S > S- 0 0 39 5,-0.6 3,-2.6 -2,-0.5 5,-0.1 -0.972 71.0 -69.6-179.3 158.2 43.8 89.9 12.1 16 23 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.745 127.2 21.8 -25.8 -69.1 45.1 92.0 15.1 17 24 A G T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.333 99.3 114.9 -92.6 7.8 43.1 90.3 17.9 18 25 A S < - 0 0 39 -3,-2.6 -4,-0.1 2,-0.1 -5,-0.1 -0.399 65.8-137.2 -73.0 153.8 42.4 87.1 16.1 19 26 A G S S+ 0 0 33 -2,-0.1 2,-0.4 -6,-0.1 -1,-0.1 0.739 80.9 88.9 -81.5 -22.5 43.9 83.9 17.4 20 27 A W B +a 14 0A 11 -7,-0.6 -5,-0.6 1,-0.2 29,-0.2 -0.638 44.7 170.8 -85.7 131.0 44.9 82.7 13.9 21 28 A R + 0 0 111 27,-3.0 2,-0.3 -2,-0.4 28,-0.2 0.663 66.1 14.9-105.9 -27.6 48.3 83.8 12.8 22 29 A Q E -b 49 0B 71 26,-1.4 28,-2.2 24,-0.1 2,-0.3 -0.991 58.4-172.4-151.8 142.4 48.9 81.8 9.6 23 30 A L E +b 50 0B 2 -2,-0.3 2,-0.4 26,-0.2 28,-0.2 -0.988 7.3 172.0-144.5 133.7 46.6 79.8 7.2 24 31 A D E -b 51 0B 37 26,-1.8 28,-2.8 -2,-0.3 2,-0.4 -0.995 17.0-155.4-139.9 142.5 47.5 77.5 4.3 25 32 A V E -b 52 0B 26 -2,-0.4 2,-0.4 26,-0.2 28,-0.2 -0.979 14.3-166.0-113.7 131.9 45.5 75.1 2.1 26 33 A V E -b 53 0B 47 26,-2.9 28,-2.7 -2,-0.4 29,-0.3 -0.914 23.7-135.6-115.4 147.3 47.3 72.3 0.4 27 34 A A S S- 0 0 80 -2,-0.4 28,-0.4 1,-0.3 2,-0.3 0.912 85.9 -7.5 -60.9 -47.4 46.0 70.2 -2.5 28 35 A Q + 0 0 60 26,-0.2 2,-0.3 25,-0.1 -1,-0.3 -0.992 63.2 154.2-152.5 146.7 47.3 67.0 -0.9 29 36 A T B -j 56 0C 28 26,-1.5 28,-2.1 -2,-0.3 3,-0.2 -0.887 46.6-111.4-152.0 179.3 49.4 65.7 1.9 30 37 A G S S- 0 0 36 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.900 95.9 -10.6 -78.6 -46.6 49.6 62.5 4.0 31 38 A S > - 0 0 38 25,-0.1 4,-1.9 1,-0.1 -1,-0.3 -0.911 49.8-151.6-159.8 121.7 48.4 63.9 7.3 32 39 A T H > S+ 0 0 3 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.891 102.8 53.8 -65.9 -36.9 47.9 67.5 8.3 33 40 A N H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.941 108.3 49.6 -60.4 -48.7 48.6 66.5 11.9 34 41 A A H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.870 110.6 51.3 -55.5 -42.1 51.9 64.9 10.9 35 42 A D H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.885 111.7 44.3 -67.0 -43.8 52.9 68.1 9.0 36 43 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 114.9 50.6 -66.8 -38.8 52.2 70.5 11.8 37 44 A L H X S+ 0 0 38 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.949 111.1 48.0 -61.4 -48.8 54.0 68.1 14.2 38 45 A A H X S+ 0 0 58 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.847 109.7 52.6 -64.7 -34.0 56.9 68.0 11.8 39 46 A R H <>S+ 0 0 64 -4,-2.0 5,-2.1 2,-0.2 -1,-0.2 0.915 110.5 48.9 -63.0 -38.2 56.8 71.8 11.6 40 47 A A H ><5S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.944 108.9 51.9 -65.9 -49.1 56.9 71.9 15.4 41 48 A A H 3<5S+ 0 0 94 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 105.6 56.5 -58.4 -28.4 59.9 69.4 15.5 42 49 A S T 3<5S- 0 0 98 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.427 126.3 -97.9 -88.9 -0.5 61.8 71.6 13.1 43 50 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.446 73.3 140.9 106.2 3.8 61.5 74.7 15.4 44 51 A A < - 0 0 44 -5,-2.1 2,-0.7 1,-0.1 -1,-0.3 -0.545 56.2-120.2 -78.9 144.0 58.6 76.7 14.0 45 52 A D - 0 0 88 -2,-0.2 -1,-0.1 1,-0.1 24,-0.1 -0.769 32.5-178.9 -77.4 112.0 56.1 78.3 16.4 46 53 A I > + 0 0 1 -2,-0.7 3,-2.2 2,-0.1 23,-0.5 0.424 31.6 131.0-101.6 3.8 52.9 76.6 15.4 47 54 A D B 3 S+c 69 0B 51 1,-0.3 23,-0.2 23,-0.1 -26,-0.1 -0.339 84.9 3.6 -55.5 125.7 50.6 78.5 17.9 48 55 A G T 3 S+ 0 0 5 21,-2.1 -27,-3.0 1,-0.2 -26,-1.4 0.651 97.3 140.0 70.3 18.6 47.6 79.8 15.9 49 56 A V E < -b 22 0B 1 -3,-2.2 20,-1.9 -28,-0.2 2,-0.5 -0.771 35.9-159.4 -95.9 133.5 48.7 78.1 12.7 50 57 A V E -bD 23 68B 0 -28,-2.2 -26,-1.8 -2,-0.4 2,-0.5 -0.969 9.0-174.1-117.1 129.8 46.1 76.5 10.5 51 58 A L E -bD 24 67B 5 16,-2.9 16,-2.2 -2,-0.5 2,-0.4 -0.984 6.3-174.6-124.7 115.8 46.8 73.8 7.9 52 59 A I E -bD 25 66B 0 -28,-2.8 -26,-2.9 -2,-0.5 2,-0.4 -0.931 5.3-162.1-110.8 134.6 43.9 72.7 5.6 53 60 A A E -bD 26 65B 1 12,-2.4 12,-0.6 -2,-0.4 -26,-0.2 -0.962 18.1-153.9-116.4 131.2 44.2 69.8 3.1 54 61 A E S S+ 0 0 16 -28,-2.7 7,-3.0 -2,-0.4 9,-0.3 0.795 89.7 10.9 -65.1 -28.1 41.8 69.2 0.2 55 62 A H - 0 0 65 -28,-0.4 -26,-1.5 -29,-0.3 2,-0.4 -0.975 64.8-152.9-153.3 135.6 42.8 65.5 0.3 56 63 A Q B j 29 0C 69 -2,-0.3 -26,-0.2 -28,-0.2 -25,-0.1 -0.949 360.0 360.0-108.3 133.2 44.7 63.3 2.8 57 64 A T 0 0 131 -28,-2.1 -2,-0.0 -2,-0.4 -29,-0.0 -0.610 360.0 360.0 -84.8 360.0 46.5 60.2 1.4 58 ! 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 59 77 A T > 0 0 131 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 128.7 37.7 61.4 -2.0 60 78 A A T 3 + 0 0 49 1,-0.3 -5,-0.2 2,-0.1 -6,-0.1 -0.197 360.0 10.5 -54.4 139.5 39.3 64.8 -2.4 61 79 A R T 3 S+ 0 0 94 -7,-3.0 -1,-0.3 1,-0.1 -6,-0.1 0.447 96.2 108.8 67.1 7.9 37.2 67.8 -1.4 62 80 A A S < S+ 0 0 2 -3,-1.8 80,-2.4 -8,-0.3 79,-1.6 0.461 82.4 26.8 -89.8 -9.1 34.6 65.5 0.2 63 81 A Q E S- E 0 140B 62 -9,-0.3 2,-0.5 77,-0.2 77,-0.2 -0.755 78.7-114.6-130.8 179.1 35.5 66.6 3.7 64 82 A I E - E 0 139B 0 75,-1.8 75,-2.8 -2,-0.2 2,-0.5 -0.992 39.2-179.2-115.6 126.0 37.1 69.4 5.6 65 83 A I E +DE 53 138B 12 -12,-0.6 -12,-2.4 -2,-0.5 2,-0.3 -0.993 14.3 144.3-128.2 119.1 40.4 68.2 6.9 66 84 A L E -DE 52 137B 0 71,-2.2 71,-3.2 -2,-0.5 2,-0.3 -0.970 31.8-152.8-151.2 163.4 42.5 70.5 9.0 67 85 A S E -DE 51 136B 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.3 -0.977 10.9-164.8-135.4 146.4 44.9 70.8 11.9 68 86 A V E -DE 50 135B 0 67,-2.0 67,-2.9 -2,-0.3 2,-0.4 -0.953 17.6-126.9-126.3 148.2 45.6 73.7 14.1 69 87 A G E -cE 47 134B 2 -20,-1.9 -21,-2.1 -23,-0.5 2,-0.4 -0.789 22.8-173.4 -92.1 141.9 48.5 74.4 16.5 70 88 A V E - E 0 133B 1 63,-2.3 63,-2.5 -2,-0.4 2,-0.4 -0.977 21.9-136.5-136.0 121.4 47.9 75.3 20.1 71 89 A R E + E 0 132B 43 -2,-0.4 61,-0.3 61,-0.2 59,-0.1 -0.663 30.8 167.8 -75.9 127.4 50.6 76.3 22.6 72 90 A V > + 0 0 0 59,-3.0 3,-2.1 -2,-0.4 60,-0.2 0.487 47.2 93.9-116.5 -10.7 49.7 74.5 25.9 73 91 A V T 3 S+ 0 0 86 58,-1.3 4,-0.1 1,-0.3 59,-0.1 0.741 83.8 57.8 -65.5 -23.3 52.7 74.9 28.2 74 92 A D T 3 S+ 0 0 94 57,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.611 97.8 75.1 -76.9 -11.8 51.1 77.9 29.8 75 93 A V S < S- 0 0 9 -3,-2.1 5,-0.1 1,-0.1 102,-0.1 -0.809 101.2 -93.5-107.1 135.0 48.0 75.9 30.8 76 94 A P > - 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.227 34.7-125.8 -48.8 137.4 48.1 73.3 33.7 77 95 A V G > S+ 0 0 100 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.839 106.8 64.2 -60.2 -31.6 48.9 69.9 32.2 78 96 A Q G 3 S+ 0 0 84 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.713 99.3 54.3 -70.3 -16.3 45.9 68.4 33.8 79 97 A A G X S+ 0 0 23 -3,-1.8 3,-1.8 1,-0.2 -1,-0.3 0.485 80.1 91.7 -86.1 -5.4 43.6 70.6 31.7 80 98 A W T X S+ 0 0 32 -3,-1.7 3,-1.9 -4,-0.3 4,-0.4 0.825 72.8 70.0 -68.8 -24.8 45.0 69.6 28.3 81 99 A G T 3> S+ 0 0 41 -4,-0.3 4,-0.7 -3,-0.3 -1,-0.3 0.649 85.8 69.0 -62.5 -18.5 42.5 66.8 27.9 82 100 A W H <> S+ 0 0 18 -3,-1.8 4,-2.6 135,-0.2 -1,-0.3 0.635 80.3 77.6 -75.5 -13.7 39.7 69.4 27.4 83 101 A L H <> S+ 0 0 1 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.2 0.942 94.2 46.4 -64.1 -44.4 41.2 70.6 24.0 84 102 A S H > S+ 0 0 18 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.884 114.6 49.4 -62.6 -39.3 39.8 67.6 22.0 85 103 A L H X S+ 0 0 3 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.923 110.0 50.0 -63.1 -47.4 36.4 68.1 23.8 86 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.887 109.2 53.4 -55.4 -41.3 36.4 71.9 23.0 87 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 106.9 50.0 -67.2 -40.7 37.2 71.0 19.3 88 106 A G H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.916 111.2 49.3 -60.9 -46.1 34.2 68.6 19.0 89 107 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.915 110.2 51.8 -58.0 -46.0 31.9 71.3 20.5 90 108 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 110.2 49.0 -57.5 -43.7 33.3 73.8 18.0 91 109 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.3 0.956 112.4 46.3 -63.3 -48.6 32.6 71.5 15.2 92 110 A L H X S+ 0 0 7 -4,-2.5 4,-3.5 1,-0.2 3,-0.3 0.905 111.0 52.1 -59.2 -44.7 29.0 70.7 16.2 93 111 A D H < S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 107.6 54.4 -64.2 -32.1 28.2 74.3 16.8 94 112 A S H < S+ 0 0 3 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.844 122.5 24.9 -67.6 -36.4 29.5 75.1 13.3 95 113 A V H >X S+ 0 0 0 -4,-1.6 3,-2.2 -3,-0.3 4,-0.7 0.705 95.9 87.2-108.9 -21.8 27.3 72.6 11.6 96 114 A A G >< S+ 0 0 38 -4,-3.5 3,-1.0 1,-0.3 5,-0.3 0.855 87.6 57.2 -46.0 -43.4 24.3 72.1 13.8 97 115 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 104.1 53.4 -65.8 -16.5 22.4 75.1 12.2 98 116 A L G <4 S+ 0 0 83 -3,-2.2 2,-0.3 -4,-0.1 -2,-0.2 0.626 91.0 87.7 -88.9 -16.1 22.7 73.6 8.7 99 117 A I S << S- 0 0 17 -3,-1.0 2,-1.3 -4,-0.7 53,-0.2 -0.675 70.9-134.1-103.4 148.1 21.2 70.2 9.3 100 118 A A S S+ 0 0 87 51,-1.6 -1,-0.1 -2,-0.3 -4,-0.0 -0.388 72.4 97.5 -95.5 54.5 17.6 69.1 9.1 101 119 A V S S- 0 0 29 -2,-1.3 -2,-0.1 -5,-0.3 5,-0.1 -0.990 83.5 -92.6-140.8 147.2 17.5 67.1 12.3 102 120 A P > - 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