==== 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 TRANSFERASE 27-SEP-09 3K1D . COMPND 2 MOLECULE: 1,4-ALPHA-GLUCAN-BRANCHING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.PAL,S.KUMAR,K.SWAMINATHAN . 722 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 3 1 0 1 1 1 0 0 1 1 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 0 PARALLEL BRIDGES PER LADDER . 7 5 2 3 3 2 2 1 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 . 1 2 1 0 1 0 1 1 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 10 A E 0 0 176 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -24.8 -11.1 -41.6 4.3 2 11 A H + 0 0 108 1,-0.2 66,-0.1 28,-0.0 28,-0.1 -0.127 360.0 76.4 -86.6 38.9 -9.9 -39.1 1.7 3 12 A L S S+ 0 0 71 -2,-0.5 -1,-0.2 1,-0.4 65,-0.1 0.735 99.8 32.2-109.5 -48.1 -8.8 -36.5 4.2 4 13 A A S S- 0 0 28 -3,-0.5 -1,-0.4 1,-0.1 6,-0.0 -0.961 91.4-119.3-115.1 124.6 -5.5 -38.0 5.4 5 14 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.041 44.0 -76.9 -53.5 168.3 -3.5 -40.1 2.9 6 15 A E > - 0 0 87 1,-0.1 4,-3.2 4,-0.0 3,-0.3 -0.335 44.4-106.6 -69.7 151.9 -2.8 -43.8 3.5 7 16 A P H > S+ 0 0 102 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 118.9 52.0 -44.3 -46.7 -0.1 -44.8 6.0 8 17 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.929 115.1 40.5 -60.2 -48.4 2.4 -45.8 3.3 9 18 A E H > S+ 0 0 62 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.929 115.7 51.5 -65.7 -46.5 2.0 -42.5 1.4 10 19 A M H X S+ 0 0 22 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.869 108.7 51.7 -58.2 -39.7 2.0 -40.5 4.6 11 20 A A H X S+ 0 0 51 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.884 111.2 47.1 -66.4 -38.9 5.2 -42.3 5.7 12 21 A R H X>S+ 0 0 73 -4,-1.7 5,-2.5 2,-0.2 4,-1.0 0.916 109.7 53.1 -68.1 -44.2 6.9 -41.5 2.4 13 22 A L H <5S+ 0 0 1 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.891 113.5 43.1 -59.5 -39.9 5.8 -37.8 2.6 14 23 A V H <5S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.6 47.7 -78.6 -25.2 7.3 -37.4 6.1 15 24 A A H <5S- 0 0 48 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.495 112.9-118.3 -91.1 -4.9 10.5 -39.3 5.3 16 25 A G T <5S+ 0 0 4 -4,-1.0 -3,-0.2 -3,-0.3 177,-0.2 0.797 83.4 114.2 73.9 29.1 11.0 -37.3 2.1 17 26 A T < + 0 0 40 -5,-2.5 2,-0.5 -6,-0.2 -4,-0.2 -0.007 35.5 120.8-119.1 27.5 10.7 -40.4 -0.2 18 27 A H - 0 0 8 -6,-0.6 132,-0.3 -5,-0.1 148,-0.1 -0.807 49.0-157.0 -93.3 132.7 7.5 -39.5 -2.1 19 28 A H S S+ 0 0 85 -2,-0.5 149,-2.3 1,-0.2 -1,-0.1 0.642 85.3 35.5 -82.5 -18.3 8.0 -39.3 -5.8 20 29 A N >> + 0 0 54 147,-0.2 3,-1.8 1,-0.1 4,-0.6 -0.568 57.2 167.3-140.5 76.8 4.9 -37.1 -6.4 21 30 A P H >> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 3,-1.6 0.888 79.1 63.2 -52.8 -44.6 4.2 -34.5 -3.6 22 31 A H H 34 S+ 0 0 14 1,-0.3 5,-0.1 2,-0.2 145,-0.0 0.635 91.7 66.2 -58.8 -16.3 1.7 -32.7 -5.8 23 32 A G H <4 S+ 0 0 29 -3,-1.8 -1,-0.3 1,-0.1 144,-0.0 0.840 118.7 20.7 -75.0 -32.0 -0.5 -35.8 -5.9 24 33 A I H << S+ 0 0 13 -3,-1.6 -2,-0.2 -4,-0.6 13,-0.2 0.852 118.1 65.3 -99.3 -50.5 -1.2 -35.5 -2.2 25 34 A L S < S+ 0 0 1 -4,-3.0 2,-0.3 -5,-0.1 13,-0.2 -0.335 91.0 27.0 -74.9 155.4 -0.5 -31.9 -1.4 26 35 A G E S-A 37 0A 0 11,-2.2 11,-2.6 -2,-0.1 2,-0.5 -0.708 108.3 -24.7 97.8-148.6 -2.5 -29.0 -2.9 27 36 A A E +A 36 0A 41 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.918 59.3 171.5-111.9 128.9 -6.1 -29.2 -4.0 28 37 A H E -A 35 0A 46 7,-3.0 7,-3.4 -2,-0.5 2,-0.6 -0.997 24.8-136.8-136.5 139.8 -7.8 -32.4 -5.0 29 38 A E E -A 34 0A 114 -2,-0.4 2,-0.6 5,-0.3 5,-0.2 -0.853 15.5-172.4-101.0 120.6 -11.5 -33.2 -5.8 30 39 A Y S S- 0 0 49 3,-1.7 2,-3.1 -2,-0.6 3,-0.3 -0.924 73.1 -44.3-114.0 106.7 -12.9 -36.5 -4.4 31 40 A D S S- 0 0 169 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.241 125.1 -35.5 70.5 -53.5 -16.4 -37.1 -5.7 32 41 A D S S+ 0 0 78 -2,-3.1 -1,-0.2 1,-0.4 -2,-0.0 0.118 114.0 84.9-157.0 -76.0 -17.3 -33.5 -5.1 33 42 A H S S- 0 0 68 -3,-0.3 -3,-1.7 -4,-0.1 2,-0.6 -0.164 73.7-127.5 -47.5 129.1 -15.9 -31.7 -2.1 34 43 A T E -A 29 0A 5 37,-1.5 2,-0.4 36,-0.6 -5,-0.3 -0.739 21.8-153.5 -86.0 120.1 -12.5 -30.3 -2.9 35 44 A V E -A 28 0A 1 -7,-3.4 -7,-3.0 -2,-0.6 2,-0.5 -0.774 6.3-161.7 -95.5 137.4 -9.9 -31.3 -0.3 36 45 A I E -A 27 0A 5 -2,-0.4 31,-2.4 -9,-0.2 2,-0.3 -0.978 7.8-174.0-122.7 127.8 -6.8 -29.1 0.3 37 46 A R E -AB 26 66A 4 -11,-2.6 -11,-2.2 -2,-0.5 2,-0.4 -0.902 6.8-173.7-121.9 150.9 -3.7 -30.4 2.1 38 47 A A E - B 0 65A 2 27,-2.0 27,-1.6 -2,-0.3 2,-0.7 -0.990 12.6-151.4-144.0 130.2 -0.5 -28.6 3.2 39 48 A F E + B 0 64A 4 -2,-0.4 25,-0.2 25,-0.2 123,-0.0 -0.906 35.7 140.8-107.9 112.6 2.6 -30.2 4.6 40 49 A R > - 0 0 29 23,-2.2 3,-0.8 -2,-0.7 23,-0.1 -0.607 36.7-148.2-153.8 85.4 4.5 -28.0 7.0 41 50 A P T 3 S+ 0 0 32 0, 0.0 22,-0.1 0, 0.0 3,-0.1 -0.071 82.1 25.3 -52.1 151.5 6.1 -29.7 10.1 42 51 A H T 3 S+ 0 0 177 1,-0.2 2,-0.2 2,-0.0 21,-0.0 0.736 91.8 146.7 63.3 23.4 6.4 -27.7 13.3 43 52 A A < - 0 0 22 -3,-0.8 -1,-0.2 1,-0.1 40,-0.2 -0.524 38.3-166.7 -88.8 159.4 3.5 -25.6 12.2 44 53 A V S S+ 0 0 87 38,-2.5 2,-0.3 1,-0.4 39,-0.2 0.682 72.4 2.3-113.8 -34.7 0.9 -24.1 14.6 45 54 A E B +C 82 0B 79 37,-0.9 37,-1.1 1,-0.1 -1,-0.4 -0.969 50.8 172.3-157.5 140.1 -1.8 -22.9 12.2 46 55 A V + 0 0 0 12,-0.5 34,-1.1 -2,-0.3 -1,-0.1 0.755 15.3 169.8-111.4 -73.7 -2.4 -23.1 8.4 47 56 A V - 0 0 4 32,-0.1 33,-1.3 19,-0.1 2,-0.3 0.712 29.0-122.7 60.1 131.4 -5.9 -22.0 7.3 48 57 A A E -D 79 0C 0 6,-0.3 2,-0.6 31,-0.2 31,-0.2 -0.755 12.0-142.2-104.2 151.0 -6.8 -21.4 3.7 49 58 A L E -D 78 0C 37 29,-2.4 29,-0.6 -2,-0.3 2,-0.6 -0.939 18.2-179.3-118.2 112.3 -8.2 -18.2 2.1 50 59 A V B > -F 53 0D 28 3,-2.5 3,-2.1 -2,-0.6 2,-1.5 -0.900 62.2 -54.3-116.9 106.0 -10.9 -18.5 -0.5 51 60 A G T 3 S- 0 0 66 -2,-0.6 3,-0.0 1,-0.3 -2,-0.0 -0.520 121.7 -24.3 72.0 -91.4 -12.2 -15.2 -2.1 52 61 A K T 3 S+ 0 0 211 -2,-1.5 2,-0.5 3,-0.0 -1,-0.3 0.101 118.3 98.7-138.8 15.4 -13.2 -13.3 1.1 53 62 A D B < -F 50 0D 102 -3,-2.1 -3,-2.5 1,-0.1 0, 0.0 -0.941 53.3-163.8-113.3 121.5 -13.7 -16.3 3.3 54 63 A R + 0 0 151 -2,-0.5 2,-0.7 -5,-0.2 -6,-0.3 0.396 45.1 151.7 -77.4 4.2 -11.0 -17.4 5.8 55 64 A F + 0 0 80 -5,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.106 43.0 58.1 -38.8 83.4 -13.3 -20.4 5.6 56 65 A S + 0 0 17 -2,-0.7 -1,-0.1 -9,-0.1 -7,-0.1 -0.429 43.4 166.3-168.3-114.5 -10.7 -23.0 6.4 57 66 A L - 0 0 102 -3,-0.1 2,-0.3 -2,-0.1 -12,-0.0 0.431 22.1-160.2 75.6 140.7 -8.3 -23.9 9.2 58 67 A Q + 0 0 12 1,-0.1 -12,-0.5 7,-0.1 9,-0.1 -0.915 21.5 160.0-144.6 167.1 -6.6 -27.3 9.3 59 68 A H + 0 0 160 7,-0.4 6,-0.1 -2,-0.3 -1,-0.1 0.526 27.7 114.5-175.8 10.9 -4.8 -29.4 12.0 60 69 A L > + 0 0 49 6,-0.2 3,-0.7 2,-0.1 -2,-0.0 0.015 52.4 19.4 -86.7-167.0 -4.3 -33.3 11.7 61 70 A D T 3 S- 0 0 76 1,-0.2 2,-0.2 2,-0.1 -57,-0.0 0.259 97.8 -52.5 47.7-163.5 -1.4 -35.7 11.4 62 71 A S T 3 S- 0 0 107 1,-0.1 -1,-0.2 -21,-0.0 3,-0.1 -0.373 123.0 -25.6-104.7 49.8 2.3 -35.4 12.1 63 72 A G S < S+ 0 0 11 -3,-0.7 -23,-2.2 1,-0.5 2,-0.2 0.093 115.2 105.1 130.8 -20.4 3.0 -32.3 10.1 64 73 A L E -B 39 0A 0 -25,-0.2 -1,-0.5 -5,-0.1 2,-0.3 -0.585 47.1-166.2 -92.2 153.5 0.2 -32.6 7.6 65 74 A F E -B 38 0A 17 -27,-1.6 -27,-2.0 -2,-0.2 2,-0.3 -0.984 1.6-163.7-138.5 148.7 -3.0 -30.4 7.5 66 75 A A E -B 37 0A 10 -2,-0.3 -7,-0.4 -29,-0.2 -29,-0.2 -0.992 14.7-170.5-137.0 144.7 -6.3 -30.7 5.6 67 76 A V + 0 0 14 -31,-2.4 2,-0.2 -2,-0.3 -1,-0.1 0.826 21.3 168.3 -98.4 -42.1 -9.2 -28.3 4.9 68 77 A A + 0 0 30 -32,-0.3 -1,-0.2 -65,-0.1 -34,-0.1 -0.451 14.7 142.2 63.9-124.2 -11.9 -30.6 3.4 69 78 A L - 0 0 53 -2,-0.2 -35,-0.4 -36,-0.1 -1,-0.1 0.651 51.1 -89.6 58.8 137.1 -15.1 -28.6 3.2 70 79 A P S S+ 0 0 81 0, 0.0 -36,-0.6 0, 0.0 -38,-0.0 0.606 74.7 80.0 -50.6-155.7 -17.7 -28.8 0.4 71 80 A F - 0 0 77 -38,-0.1 -37,-1.5 2,-0.0 2,-0.2 0.575 61.2-125.8 55.4 148.2 -18.1 -26.8 -2.9 72 81 A V S S+ 0 0 51 -39,-0.2 2,-2.7 2,-0.1 -39,-0.1 -0.535 72.7 32.4-115.4-177.4 -16.1 -27.5 -6.1 73 82 A D + 0 0 117 -2,-0.2 2,-2.9 1,-0.1 -1,-0.0 -0.370 59.0 175.6 70.7 -64.6 -13.9 -25.8 -8.6 74 83 A L - 0 0 26 -2,-2.7 -1,-0.1 1,-0.2 -2,-0.1 -0.336 19.6-156.1 65.2 -71.0 -12.4 -23.3 -6.1 75 84 A I - 0 0 122 -2,-2.9 -1,-0.2 -25,-0.0 -3,-0.0 0.965 54.0 -13.2 60.8 92.3 -9.9 -21.8 -8.6 76 85 A D + 0 0 10 55,-0.1 2,-0.2 20,-0.1 -25,-0.2 0.549 67.4 159.0 63.7 145.8 -7.0 -20.3 -6.7 77 86 A Y - 0 0 6 -27,-0.1 2,-0.3 16,-0.1 16,-0.3 -0.847 27.4-118.5-168.5-160.1 -6.6 -19.5 -3.0 78 87 A R E -D 49 0C 91 -29,-0.6 -29,-2.4 -2,-0.2 2,-0.2 -0.965 10.7-134.3-163.6 145.4 -3.8 -18.9 -0.5 79 88 A L E -DE 48 91C 4 12,-2.6 12,-2.3 -2,-0.3 2,-0.2 -0.647 5.6-157.1-101.3 159.9 -2.3 -20.4 2.7 80 89 A Q E - 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