==== 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 TRANSFERASE 22-JUN-06 2HF1 . COMPND 2 MOLECULE: TETRAACYLDISACCHARIDE-1-P 4-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR S.M.VOROBIEV,M.ABASHIDZE,J.SEETHARAMAN,C.X.CHEN,M.JIANG,K.CU . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 . 20 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 133 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.7 -0.8 51.3 47.2 2 3 A A + 0 0 111 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.573 360.0 167.1 -73.9 127.6 -1.7 47.7 48.1 3 4 A K - 0 0 90 -2,-0.4 2,-0.8 2,-0.1 77,-0.0 -0.908 39.9-101.3-139.6 167.4 1.4 45.5 48.1 4 5 A F + 0 0 73 -2,-0.3 77,-2.2 2,-0.0 2,-0.4 -0.811 46.2 156.0 -97.2 107.6 2.6 42.1 49.2 5 6 A L E +A 80 0A 51 -2,-0.8 2,-0.4 75,-0.2 75,-0.2 -0.993 9.1 168.7-131.1 122.3 4.6 42.1 52.4 6 7 A E E -A 79 0A 38 73,-1.6 73,-2.9 -2,-0.4 2,-0.2 -0.993 34.1-121.7-139.8 133.2 4.9 39.0 54.7 7 8 A I E -A 78 0A 84 -2,-0.4 2,-1.2 71,-0.3 71,-0.3 -0.472 27.2-130.2 -68.8 138.1 7.1 38.2 57.6 8 9 A L + 0 0 3 69,-3.7 9,-0.6 -2,-0.2 69,-0.4 -0.627 60.5 119.3 -96.3 77.8 9.2 35.1 57.0 9 10 A V B S-E 16 0B 21 -2,-1.2 6,-0.1 7,-0.2 19,-0.1 -0.925 75.2 -82.9-132.2 156.2 8.6 33.0 60.1 10 11 A C > - 0 0 0 5,-2.9 4,-1.7 -2,-0.3 5,-0.1 -0.401 34.9-132.8 -60.8 130.0 7.2 29.5 60.4 11 12 A P T 4 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.639 101.3 40.2 -60.5 -11.6 3.3 29.8 60.5 12 13 A L T 4 S+ 0 0 74 3,-0.1 -2,-0.0 33,-0.1 34,-0.0 0.884 129.3 16.4 -99.7 -68.2 3.4 27.4 63.5 13 14 A C T 4 S- 0 0 67 2,-0.1 -3,-0.0 3,-0.1 17,-0.0 0.524 90.8-129.0 -87.0 -7.5 6.2 28.1 66.0 14 15 A K < + 0 0 143 -4,-1.7 -6,-0.0 1,-0.2 -1,-0.0 0.708 61.4 140.8 65.0 21.2 7.0 31.6 64.6 15 16 A G - 0 0 17 1,-0.1 -5,-2.9 -6,-0.1 -1,-0.2 -0.425 58.3 -82.1 -89.7 168.9 10.6 30.7 64.3 16 17 A P B -E 9 0B 67 0, 0.0 13,-0.4 0, 0.0 2,-0.3 -0.243 42.2-131.2 -68.0 157.8 13.1 31.6 61.5 17 18 A L - 0 0 0 -9,-0.6 51,-2.9 51,-0.4 2,-0.5 -0.836 6.2-132.5-113.5 149.6 13.2 29.6 58.2 18 19 A V E -FG 27 67C 20 9,-2.7 9,-3.0 -2,-0.3 2,-0.5 -0.881 22.7-131.7-101.8 126.2 16.2 28.2 56.4 19 20 A F E -FG 26 66C 17 47,-3.2 47,-1.4 -2,-0.5 2,-0.7 -0.657 14.9-160.4 -81.9 124.6 16.2 28.9 52.6 20 21 A D E >> -FG 25 65C 0 5,-2.9 5,-1.4 -2,-0.5 4,-0.9 -0.908 4.6-170.6-106.4 105.3 16.9 25.9 50.5 21 22 A K T 45S+ 0 0 109 43,-1.8 3,-0.3 -2,-0.7 -1,-0.2 0.896 82.2 53.9 -61.3 -44.3 18.1 27.0 47.1 22 23 A S T 45S+ 0 0 86 42,-0.4 -1,-0.2 1,-0.2 43,-0.1 0.825 122.3 27.1 -63.6 -35.8 18.0 23.6 45.4 23 24 A K T 45S- 0 0 83 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.389 100.4-130.1-107.0 3.2 14.3 22.9 46.3 24 25 A D T <5 + 0 0 84 -4,-0.9 13,-1.2 -3,-0.3 2,-0.3 0.949 63.8 129.7 42.8 61.9 13.3 26.6 46.5 25 26 A E E < -FH 20 36C 21 -5,-1.4 -5,-2.9 11,-0.2 2,-0.6 -0.925 60.1-128.9-137.9 161.3 11.7 26.0 49.9 26 27 A L E -FH 19 35C 2 9,-2.5 9,-3.2 -2,-0.3 2,-0.4 -0.976 31.7-153.8-115.6 117.7 11.8 27.7 53.3 27 28 A I E -FH 18 34C 1 -9,-3.0 -9,-2.7 -2,-0.6 2,-0.8 -0.744 14.5-152.0-100.1 137.1 12.4 25.1 56.0 28 29 A C E >> - H 0 33C 3 5,-3.1 5,-1.5 -2,-0.4 4,-1.2 -0.916 10.5-167.0-104.6 109.1 11.4 25.2 59.7 29 30 A K T >45S+ 0 0 107 -2,-0.8 3,-0.7 -13,-0.4 -1,-0.2 0.951 83.9 52.7 -59.2 -53.3 14.1 23.1 61.5 30 31 A G T 345S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.734 120.1 33.0 -57.2 -27.3 12.1 22.8 64.8 31 32 A D T 345S- 0 0 64 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.476 100.3-130.2-107.9 -6.0 9.0 21.6 63.1 32 33 A R T <<5 + 0 0 27 -4,-1.2 20,-2.0 -3,-0.7 2,-0.3 0.935 61.6 135.0 54.9 50.5 10.7 19.6 60.3 33 34 A L E < -HI 28 51C 22 -5,-1.5 -5,-3.1 18,-0.2 2,-0.5 -0.960 45.3-150.9-129.7 146.6 8.4 21.2 57.7 34 35 A A E -HI 27 50C 0 16,-2.6 16,-2.1 -2,-0.3 -7,-0.2 -0.979 9.7-156.5-120.8 122.8 9.2 22.7 54.3 35 36 A F E -H 26 0C 0 -9,-3.2 -9,-2.5 -2,-0.5 14,-0.1 -0.790 21.0-121.5 -97.7 140.3 7.1 25.5 52.9 36 37 A P E -H 25 0C 22 0, 0.0 7,-3.3 0, 0.0 2,-0.6 -0.429 6.8-143.7 -82.4 156.7 7.0 26.1 49.1 37 38 A I E -J 42 0D 26 -13,-1.2 2,-0.5 5,-0.3 3,-0.3 -0.981 23.3-170.8-116.5 112.5 8.0 29.2 47.2 38 39 A K E > -J 41 0D 102 3,-2.5 3,-2.0 -2,-0.6 -14,-0.0 -0.935 69.2 -10.3-112.1 128.3 5.6 29.5 44.3 39 40 A D T 3 S- 0 0 103 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.888 133.0 -53.8 54.7 38.1 6.2 32.1 41.5 40 41 A G T 3 S+ 0 0 50 -3,-0.3 -1,-0.3 1,-0.2 60,-0.0 0.612 116.4 120.2 72.8 12.4 8.9 33.5 43.8 41 42 A I E < -J 38 0D 31 -3,-2.0 -3,-2.5 2,-0.0 2,-0.2 -0.919 63.7-131.6-116.8 115.1 6.4 33.8 46.7 42 43 A P E -J 37 0D 10 0, 0.0 2,-1.5 0, 0.0 -5,-0.3 -0.427 18.1-140.7 -62.9 123.8 6.9 32.0 50.0 43 44 A X - 0 0 51 -7,-3.3 2,-2.5 -2,-0.2 5,-0.2 -0.633 18.2-171.5 -89.5 82.5 3.6 30.2 50.8 44 45 A X + 0 0 27 -2,-1.5 2,-0.4 -9,-0.1 -1,-0.1 -0.384 42.0 117.8 -75.4 66.2 3.5 30.8 54.6 45 46 A L >> - 0 0 92 -2,-2.5 3,-1.5 1,-0.1 4,-0.8 -0.999 65.2-137.9-136.3 131.9 0.5 28.5 55.2 46 47 A E G >4 S+ 0 0 121 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.893 106.0 59.7 -53.6 -41.7 0.4 25.4 57.3 47 48 A S G 34 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.756 103.8 51.7 -58.5 -27.2 -1.7 23.7 54.7 48 49 A E G <4 S+ 0 0 62 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.654 88.5 103.9 -85.5 -18.3 1.1 24.2 52.1 49 50 A A << - 0 0 25 -3,-1.1 2,-0.4 -4,-0.8 -14,-0.2 -0.330 54.7-154.9 -70.8 145.9 3.9 22.6 54.2 50 51 A R E -I 34 0C 81 -16,-2.1 -16,-2.6 -2,-0.1 2,-0.2 -0.928 23.2-113.6-118.3 143.4 5.3 19.2 53.6 51 52 A E E -I 33 0C 167 -2,-0.4 -18,-0.2 -18,-0.2 2,-0.1 -0.521 37.3-111.5 -74.2 145.6 7.0 17.1 56.3 52 53 A L - 0 0 19 -20,-2.0 -1,-0.1 -2,-0.2 -25,-0.0 -0.424 23.3-124.6 -77.6 148.5 10.7 16.5 55.8 53 54 A A >> - 0 0 26 -2,-0.1 3,-1.3 1,-0.1 4,-1.2 -0.542 24.6-116.9 -84.2 160.8 12.0 13.0 54.9 54 55 A P H 3> S+ 0 0 94 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.783 117.0 64.6 -71.8 -19.2 14.6 11.7 57.3 55 56 A E H 34 S+ 0 0 152 1,-0.2 4,-0.3 2,-0.2 -3,-0.0 0.633 105.9 46.2 -72.5 -14.4 17.0 11.7 54.3 56 57 A E H X4 S+ 0 0 28 -3,-1.3 3,-0.6 2,-0.1 4,-0.5 0.697 99.0 64.7 -98.4 -27.3 16.5 15.5 54.4 57 58 A E H >< S+ 0 0 98 -4,-1.2 3,-0.8 1,-0.2 4,-0.4 0.786 90.4 73.6 -66.0 -24.4 16.9 16.0 58.1 58 59 A V G >< S+ 0 0 103 -4,-0.9 3,-0.9 1,-0.2 -1,-0.2 0.879 92.0 50.3 -56.9 -43.4 20.5 14.9 57.6 59 60 A K G < S+ 0 0 79 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.661 107.6 51.2 -74.1 -16.0 21.8 18.0 55.8 60 61 A L G < 0 0 23 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.440 360.0 360.0 -94.0 -1.4 20.4 20.4 58.5 61 62 A E < 0 0 202 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.2 0.846 360.0 360.0 90.0 360.0 22.3 18.1 60.8 62 !* 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 63 4 B K 0 0 123 0, 0.0 2,-0.7 0, 0.0 -43,-0.0 0.000 360.0 360.0 360.0 152.8 24.4 22.7 49.1 64 5 B F + 0 0 83 2,-0.0 -43,-1.8 0, 0.0 -42,-0.4 -0.753 360.0 152.9 -90.0 114.6 23.3 26.3 49.7 65 6 B L E +G 20 0C 49 -2,-0.7 2,-0.4 -45,-0.2 -45,-0.2 -0.991 12.7 175.5-142.1 128.5 21.2 26.8 52.7 66 7 B E E -G 19 0C 38 -47,-1.4 -47,-3.2 -2,-0.4 2,-0.2 -0.999 31.6-119.9-142.0 135.3 21.0 29.9 54.8 67 8 B I E -G 18 0C 95 -2,-0.4 2,-1.2 -49,-0.3 -49,-0.2 -0.507 28.0-131.1 -69.2 136.6 18.9 30.9 57.7 68 9 B L + 0 0 4 -51,-2.9 9,-0.6 -2,-0.2 -51,-0.4 -0.617 61.0 117.3 -96.0 77.5 16.8 34.0 56.9 69 10 B V B S-K 76 0E 28 -2,-1.2 6,-0.1 7,-0.2 19,-0.1 -0.939 75.3 -87.3-134.4 156.1 17.3 36.3 59.8 70 11 B C > - 0 0 0 5,-3.3 4,-1.9 -2,-0.3 5,-0.1 -0.462 31.5-142.2 -64.3 129.6 18.9 39.8 60.0 71 12 B P T 4 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 35,-0.0 0.723 97.2 49.1 -67.5 -17.9 22.7 39.3 60.4 72 13 B L T 4 S+ 0 0 64 3,-0.1 -2,-0.0 1,-0.1 34,-0.0 0.962 131.0 10.4 -82.3 -62.7 22.7 42.3 62.7 73 14 B C T 4 S- 0 0 64 2,-0.1 -1,-0.1 3,-0.1 -3,-0.0 0.471 92.2-127.1 -96.3 -9.6 19.9 41.7 65.2 74 15 B K < + 0 0 142 -4,-1.9 -6,-0.0 1,-0.2 0, 0.0 0.668 61.5 145.9 69.2 16.5 19.2 38.1 64.2 75 16 B G - 0 0 16 1,-0.1 -5,-3.3 -6,-0.1 -1,-0.2 -0.419 54.7 -88.9 -85.7 160.9 15.6 39.1 63.8 76 17 B P B -K 69 0E 61 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.144 42.2-128.5 -63.2 161.6 13.1 37.8 61.3 77 18 B L - 0 0 0 -9,-0.6 -69,-3.7 -69,-0.4 2,-0.5 -0.829 3.2-134.8-117.3 154.7 12.7 39.4 57.8 78 19 B V E -AB 7 87A 9 9,-2.4 9,-2.9 -2,-0.3 2,-0.5 -0.924 21.1-133.3-108.7 123.6 9.8 40.6 55.8 79 20 B F E -AB 6 86A 10 -73,-2.9 -73,-1.6 -2,-0.5 2,-0.8 -0.673 15.0-160.7 -79.8 123.0 9.6 39.7 52.2 80 21 B D E >> -AB 5 85A 4 5,-3.0 4,-1.6 -2,-0.5 5,-1.5 -0.905 5.5-172.2-106.2 102.1 8.8 42.7 50.0 81 22 B K T 45S+ 0 0 102 -77,-2.2 -1,-0.2 -2,-0.8 -76,-0.1 0.870 78.6 57.7 -63.9 -40.5 7.5 41.3 46.7 82 23 B S T 45S+ 0 0 77 -78,-0.4 -1,-0.2 1,-0.2 -77,-0.1 0.853 122.6 24.8 -61.9 -36.8 7.4 44.7 44.8 83 24 B K T 45S- 0 0 106 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.567 102.6-129.2-103.0 -12.0 11.1 45.4 45.3 84 25 B D T <5 + 0 0 87 -4,-1.6 13,-0.7 1,-0.2 2,-0.3 0.949 63.5 124.4 62.8 53.3 12.1 41.8 45.8 85 26 B E E < -BC 80 96A 24 -5,-1.5 -5,-3.0 11,-0.2 2,-0.5 -0.912 61.8-122.1-137.8 163.2 14.0 42.3 49.0 86 27 B L E -BC 79 95A 3 9,-2.4 9,-3.4 -2,-0.3 2,-0.4 -0.948 34.0-155.3-109.6 122.9 14.1 41.0 52.6 87 28 B I E -BC 78 94A 5 -9,-2.9 -9,-2.4 -2,-0.5 2,-0.7 -0.829 17.6-155.5-108.9 137.4 13.5 43.8 55.2 88 29 B C E >> - C 0 93A 3 5,-2.9 5,-1.4 -2,-0.4 4,-1.2 -0.928 9.5-166.2-105.1 109.2 14.5 44.1 58.8 89 30 B K T >45S+ 0 0 101 -2,-0.7 3,-0.6 -13,-0.3 -1,-0.2 0.945 84.4 55.7 -59.4 -49.3 12.1 46.5 60.3 90 31 B G T 345S+ 0 0 47 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.885 118.4 30.7 -51.0 -49.5 14.1 47.0 63.5 91 32 B D T 345S- 0 0 59 2,-0.1 -1,-0.3 20,-0.0 -2,-0.2 0.502 101.7-129.1 -89.6 -5.6 17.3 48.0 61.7 92 33 B R T <<5 + 0 0 125 -4,-1.2 20,-2.5 -3,-0.6 2,-0.4 0.878 61.1 141.2 58.0 39.5 15.5 49.7 58.8 93 34 B L E < -CD 88 111A 24 -5,-1.4 -5,-2.9 18,-0.2 2,-0.5 -0.883 41.7-155.0-115.0 145.7 17.6 47.7 56.4 94 35 B A E -CD 87 110A 0 16,-2.3 16,-1.9 -2,-0.4 -7,-0.2 -0.966 10.0-154.1-123.2 116.1 16.6 46.0 53.1 95 36 B F E -C 86 0A 0 -9,-3.4 -9,-2.4 -2,-0.5 14,-0.1 -0.700 17.9-124.6 -90.3 138.7 18.6 43.1 51.8 96 37 B P E -C 85 0A 19 0, 0.0 7,-2.9 0, 0.0 2,-0.5 -0.383 7.0-141.0 -80.1 158.7 18.8 42.3 48.1 97 38 B I E -L 102 0F 34 -13,-0.7 2,-0.7 5,-0.2 3,-0.3 -0.966 17.1-164.0-121.4 109.0 17.9 39.0 46.4 98 39 B K E > S-L 101 0F 101 3,-2.2 3,-1.6 -2,-0.5 0, 0.0 -0.863 73.4 -22.5-100.2 114.0 20.2 38.3 43.6 99 40 B D T 3 S- 0 0 167 -2,-0.7 -1,-0.2 1,-0.3 0, 0.0 0.915 130.8 -46.5 53.9 47.0 19.0 35.6 41.2 100 41 B G T 3 S+ 0 0 48 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.463 115.3 118.8 77.4 1.3 16.7 34.2 43.9 101 42 B I E < -L 98 0F 30 -3,-1.6 -3,-2.2 2,-0.0 2,-0.3 -0.876 62.5-134.3-108.3 114.8 19.4 34.3 46.5 102 43 B P E -L 97 0F 8 0, 0.0 2,-1.6 0, 0.0 -5,-0.2 -0.435 15.3-142.6 -63.6 122.0 19.0 36.5 49.7 103 44 B X - 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