==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-OCT-03 1R59 . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR J.I.YEH,V.CHARRIER,J.PAULO,L.HOU,E.DARBON,A.CLAIBORNE, . 960 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 91 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.6 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 10 3 3 1 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 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 . 19 6 3 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 . 4 3 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 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 5 O N 0 0 90 0, 0.0 2,-0.2 0, 0.0 70,-0.2 0.000 360.0 360.0 360.0 175.6 27.4 30.9 77.2 2 6 O Y E -a 71 0A 74 68,-2.6 70,-4.0 17,-0.1 71,-0.5 -0.720 360.0-153.1-115.9 166.5 27.2 34.0 79.4 3 7 O V E - B 0 18A 0 15,-1.4 15,-2.6 -2,-0.2 2,-0.8 -0.997 18.1-130.0-139.5 136.9 25.1 35.2 82.4 4 8 O M E -aB 74 17A 0 69,-2.9 71,-2.3 -2,-0.3 2,-0.5 -0.807 16.5-161.7 -97.4 112.3 24.4 38.7 83.4 5 9 O A E -a 75 0A 0 11,-2.6 2,-0.6 -2,-0.8 71,-0.2 -0.788 8.4-161.2 -87.5 127.9 25.0 39.5 87.1 6 10 O I E -a 76 0A 6 69,-2.5 71,-2.0 -2,-0.5 2,-0.5 -0.940 8.3-175.1-119.3 109.0 23.2 42.7 88.1 7 11 O D B -F 14 0B 8 7,-2.5 7,-2.6 -2,-0.6 2,-0.6 -0.876 6.4-163.8-102.1 132.5 24.4 44.4 91.2 8 12 O Q - 0 0 0 -2,-0.5 71,-0.2 69,-0.3 227,-0.2 -0.943 18.5-171.8-119.4 112.6 22.4 47.4 92.4 9 13 O G - 0 0 8 -2,-0.6 70,-0.2 40,-0.2 4,-0.2 -0.238 33.7-122.2-100.8-174.9 24.2 49.6 94.9 10 14 O T S S+ 0 0 4 2,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.762 109.5 4.8 -97.0 -35.3 23.8 52.5 97.2 11 15 O T S S+ 0 0 10 1,-0.4 21,-0.9 33,-0.0 2,-0.3 0.609 142.7 19.8-118.8 -33.1 26.4 54.9 95.9 12 16 O S B -G 31 0C 39 19,-0.2 -1,-0.4 17,-0.0 -2,-0.3 -0.989 68.2-160.4-144.6 129.0 27.6 52.9 92.9 13 17 O S - 0 0 0 17,-0.7 17,-0.4 -2,-0.3 2,-0.3 -0.300 10.9-168.1 -96.1-177.0 25.8 50.1 91.0 14 18 O R B -F 7 0B 12 -7,-2.6 -7,-2.5 15,-0.1 15,-0.1 -0.982 20.9-162.8-167.8 161.3 27.3 47.3 88.7 15 19 O A - 0 0 0 13,-0.4 -9,-0.2 -2,-0.3 2,-0.1 -0.549 20.0-168.5-158.8 85.9 26.5 44.6 86.1 16 20 O I - 0 0 1 -2,-0.1 -11,-2.6 -11,-0.1 2,-0.3 -0.447 21.2-124.4 -78.6 146.6 29.2 42.1 85.5 17 21 O I E -B 4 0A 0 9,-1.4 8,-0.8 -13,-0.2 9,-0.5 -0.732 27.0-155.9 -87.0 138.6 29.3 39.5 82.6 18 22 O F E -BC 3 24A 1 -15,-2.6 -15,-1.4 -2,-0.3 6,-0.1 -0.946 12.2-177.4-128.4 115.4 29.7 36.0 83.8 19 23 O D - 0 0 29 4,-1.1 2,-0.7 -2,-0.5 3,-0.2 0.125 51.8 -47.2 -85.1-157.2 31.1 33.1 81.8 20 24 O R S S+ 0 0 154 1,-0.2 -1,-0.1 2,-0.1 424,-0.0 -0.730 114.9 1.8 -86.0 114.8 31.6 29.4 82.7 21 25 O N S S- 0 0 77 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.978 120.7 -42.8 71.3 93.5 33.2 29.0 86.1 22 26 O G S S+ 0 0 5 -3,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.395 86.6 134.5 48.7 13.5 34.1 32.1 88.3 23 27 O K - 0 0 139 -4,-0.0 -4,-1.1 2,-0.0 2,-0.8 -0.790 41.7-155.1-103.0 130.9 35.6 34.6 85.7 24 28 O K B +C 18 0A 62 -2,-0.5 -6,-0.2 1,-0.1 3,-0.1 -0.850 21.2 169.0 -94.3 101.1 34.7 38.3 85.5 25 29 O I + 0 0 66 -2,-0.8 2,-0.3 -8,-0.8 -1,-0.1 0.648 63.5 23.3 -93.4 -16.5 35.4 39.3 81.8 26 30 O G + 0 0 6 -9,-0.5 -9,-1.4 38,-0.0 2,-0.3 -0.842 64.5 159.2-156.9 117.3 33.8 42.8 81.7 27 31 O S + 0 0 44 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.1 -0.980 10.3 179.0-138.9 147.5 33.0 45.3 84.4 28 32 O S - 0 0 18 -2,-0.3 2,-0.4 24,-0.1 -13,-0.4 -0.965 8.4-166.3-148.6 128.9 32.3 49.0 84.7 29 33 O Q + 0 0 124 -2,-0.3 2,-0.3 -15,-0.1 -15,-0.1 -0.979 14.0 163.7-125.8 126.1 31.4 51.0 87.8 30 34 O K - 0 0 66 -2,-0.4 -17,-0.7 -17,-0.4 2,-0.1 -0.882 22.6-121.5-134.9 166.9 30.0 54.6 88.0 31 35 O E B -G 12 0C 102 -2,-0.3 -19,-0.2 -19,-0.2 -20,-0.0 -0.388 7.8-154.1-109.7-180.0 28.3 56.9 90.5 32 36 O F - 0 0 7 -21,-0.9 2,-0.2 -2,-0.1 16,-0.1 -0.979 41.1 -86.1-150.9 148.1 25.2 59.0 91.4 33 37 O P - 0 0 83 0, 0.0 2,-1.4 0, 0.0 12,-0.4 -0.375 24.3-146.7 -66.6 130.4 24.7 62.1 93.7 34 38 O Q - 0 0 49 -2,-0.2 10,-0.1 10,-0.1 -23,-0.0 -0.629 28.6-160.7 -93.3 76.5 24.0 61.4 97.5 35 39 O Y - 0 0 159 -2,-1.4 8,-1.0 8,-0.3 0, 0.0 -0.278 9.5-167.3 -61.6 140.8 21.8 64.5 98.0 36 40 O F + 0 0 105 6,-0.2 6,-0.1 1,-0.1 3,-0.1 -0.903 20.0 158.2-142.0 105.0 21.2 65.9 101.6 37 41 O P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.781 62.9 27.6 -97.9 -30.7 18.4 68.5 102.6 38 42 O K S > S- 0 0 111 3,-0.5 3,-2.6 0, 0.0 2,-0.2 -0.997 95.6 -76.4-146.6 144.2 17.8 68.1 106.3 39 43 O S T 3 S- 0 0 91 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.331 117.6 -10.0 -1.9 -49.6 19.5 67.0 109.5 40 44 O G T 3 S+ 0 0 0 -2,-0.2 2,-0.9 299,-0.1 63,-0.5 0.225 100.6 110.5-150.3 16.0 19.3 63.2 109.0 41 45 O W < + 0 0 78 -3,-2.6 -3,-0.5 61,-0.2 2,-0.4 -0.723 37.9 172.2-101.5 84.2 17.1 62.6 106.0 42 46 O V + 0 0 22 -2,-0.9 57,-0.6 -6,-0.1 60,-0.5 -0.768 6.5 179.0 -88.6 134.8 19.4 61.3 103.2 43 47 O E B -H 98 0D 59 -8,-1.0 -8,-0.3 -2,-0.4 55,-0.2 -0.995 21.9-138.8-139.8 129.6 17.4 60.1 100.2 44 48 O H - 0 0 0 53,-0.6 2,-0.7 -2,-0.4 3,-0.1 -0.410 35.7-104.3 -72.8 159.9 18.8 58.7 96.9 45 49 O N > - 0 0 47 -12,-0.4 3,-0.5 1,-0.2 51,-0.1 -0.844 24.1-161.2 -84.4 119.2 17.1 59.8 93.8 46 50 O A G > S+ 0 0 29 -2,-0.7 2,-1.8 1,-0.3 3,-0.9 0.858 95.8 74.1 -61.6 -32.5 15.0 56.8 92.9 47 51 O N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 48,-0.2 -2,-0.1 -0.120 99.8 45.0 -69.4 37.6 15.2 58.8 89.8 48 52 O E G < S+ 0 0 71 -2,-1.8 -1,-0.3 -3,-0.5 -3,-0.2 0.128 81.7 85.7-174.5 45.1 18.9 57.5 89.6 49 53 O I S < S+ 0 0 13 -3,-0.9 -40,-0.2 -5,-0.1 -2,-0.1 0.578 71.5 60.5-138.0 2.6 19.7 53.8 90.3 50 54 O W S S+ 0 0 69 -4,-0.2 5,-0.2 1,-0.1 -36,-0.1 0.942 83.9 68.2 -87.1 -71.7 19.4 51.4 87.3 51 55 O N S > S+ 0 0 52 1,-0.3 4,-2.4 2,-0.2 2,-0.5 0.493 80.6 74.0 -28.3 -40.0 22.0 52.5 84.5 52 56 O S T 4 S+ 0 0 17 1,-0.2 -1,-0.3 2,-0.2 -45,-0.2 0.201 106.7 47.6 -67.8 27.7 25.3 51.7 86.2 53 57 O V T > S+ 0 0 14 -2,-0.5 4,-0.8 -40,-0.1 3,-0.3 0.494 119.2 30.5-132.5 -49.7 23.8 48.3 85.3 54 58 O Q T 4 S+ 0 0 87 2,-0.3 5,-0.3 1,-0.2 -2,-0.2 0.280 116.5 59.3 -99.3 13.4 22.8 48.7 81.5 55 59 O S T < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.230 120.0 32.4-103.4 -3.1 25.6 51.2 81.2 56 60 O V T 4 S+ 0 0 0 -5,-0.4 -2,-0.3 -3,-0.3 -41,-0.1 0.401 120.9 47.1-131.6 -17.6 27.4 48.0 82.2 57 61 O I S X S+ 0 0 6 -4,-0.8 4,-2.1 -6,-0.3 -3,-0.2 0.872 133.3 21.5 -84.9 -56.8 25.2 45.3 80.7 58 62 O A H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -3,-0.2 0.963 131.1 47.5 -68.7 -53.7 25.1 47.1 77.4 59 63 O G H 4 S+ 0 0 2 476,-0.3 -3,-0.2 -5,-0.3 -1,-0.2 0.649 121.9 36.2 -64.1 -18.7 28.3 49.1 78.1 60 64 O A H 4 S+ 0 0 0 2,-0.2 3,-0.5 -45,-0.1 4,-0.3 0.697 106.3 62.1-106.5 -28.7 30.1 45.9 79.3 61 65 O F H X>S+ 0 0 19 -4,-2.1 5,-4.0 1,-0.2 4,-1.5 0.575 106.1 55.0 -71.7 -5.5 28.7 43.4 76.9 62 66 O I T <5S+ 0 0 0 -4,-0.6 -1,-0.2 3,-0.3 -2,-0.2 0.680 87.8 71.0 -93.8 -29.5 30.5 45.7 74.4 63 67 O E T 45S+ 0 0 94 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.557 124.6 16.0 -65.5 -7.1 33.9 45.5 76.2 64 68 O S T 45S- 0 0 46 -4,-0.3 -2,-0.2 -38,-0.1 -1,-0.2 0.517 110.5-113.2-133.5 -35.4 33.7 42.0 74.6 65 69 O G T <5 + 0 0 27 -4,-1.5 2,-0.6 -5,-0.2 -3,-0.3 0.881 51.3 161.3 94.3 51.3 30.9 42.2 72.0 66 70 O I < - 0 0 13 -5,-4.0 -1,-0.2 -8,-0.1 -3,-0.1 -0.896 15.3-173.4-111.2 106.8 28.1 39.9 73.3 67 71 O R > - 0 0 31 -2,-0.6 3,-1.4 586,-0.1 2,-0.6 -0.722 48.9 -82.7 -98.5 152.3 24.5 40.4 71.9 68 72 O P T 3 S+ 0 0 16 0, 0.0 3,-0.2 0, 0.0 158,-0.1 0.383 114.1 80.9 -39.3 -14.2 21.5 38.4 73.5 69 73 O E T 3 S+ 0 0 163 -2,-0.6 158,-0.0 1,-0.2 -3,-0.0 0.625 100.5 40.4 -69.3 -13.9 22.0 35.1 71.6 70 74 O A S < S+ 0 0 25 -3,-1.4 -68,-2.6 -69,-0.1 2,-0.4 0.618 90.3 96.0-108.7 -19.8 24.7 34.2 74.1 71 75 O I E -a 2 0A 10 -70,-0.2 -68,-0.2 -4,-0.2 3,-0.1 -0.643 45.3-175.9 -82.2 129.7 23.3 35.3 77.5 72 76 O A E + 0 0 20 -70,-4.0 2,-0.3 -2,-0.4 -69,-0.2 0.677 61.4 8.1 -95.8 -22.9 21.6 32.5 79.5 73 77 O G E - 0 0 0 -71,-0.5 -69,-2.9 154,-0.1 2,-0.5 -0.959 49.5-146.2-166.8 146.3 20.2 34.4 82.5 74 78 O I E -ad 4 229A 6 154,-2.1 156,-1.8 -2,-0.3 157,-1.3 -0.956 23.3-176.9-113.9 117.8 19.7 37.8 84.1 75 79 O G E -ad 5 231A 0 -71,-2.3 -69,-2.5 -2,-0.5 2,-0.3 -0.971 11.3-147.7-125.3 126.6 19.9 37.9 88.0 76 80 O I E -ad 6 232A 5 155,-2.6 157,-0.8 -2,-0.4 2,-0.3 -0.715 14.2-179.5-100.8 138.7 19.3 41.0 90.2 77 81 O T + 0 0 0 -71,-2.0 -69,-0.3 -2,-0.3 2,-0.3 -0.924 19.4 174.6-123.2 148.0 20.8 42.1 93.5 78 82 O N - 0 0 0 -2,-0.3 157,-3.5 155,-0.3 2,-0.4 -0.994 39.3 -92.6-157.4 162.8 19.8 45.3 95.2 79 83 O Q - 0 0 0 -2,-0.3 3,-0.4 -70,-0.2 83,-0.4 -0.647 54.9-130.6 -75.8 126.5 19.9 47.6 98.2 80 84 O R S S+ 0 0 3 -2,-0.4 20,-0.3 1,-0.2 2,-0.2 -0.136 73.3 26.5 -78.9 171.5 17.1 46.6 100.5 81 85 O E S S+ 0 0 1 101,-0.3 2,-1.6 1,-0.2 -1,-0.2 0.179 76.6 126.3 65.1 -15.5 14.3 48.5 102.4 82 86 O T - 0 0 0 -3,-0.4 80,-0.6 -2,-0.2 -1,-0.2 -0.577 54.5-150.5 -77.5 93.1 14.2 51.3 99.8 83 87 O T - 0 0 9 -2,-1.6 2,-0.3 78,-0.2 15,-0.2 -0.107 23.1-177.3 -67.3 158.1 10.5 51.2 99.0 84 88 O V - 0 0 27 76,-0.4 2,-0.3 13,-0.1 80,-0.1 -0.848 5.5-170.6-158.6 111.8 8.8 52.0 95.7 85 89 O V - 0 0 32 -2,-0.3 2,-0.3 74,-0.2 74,-0.3 -0.745 16.6-161.1-105.3 154.9 4.9 51.9 95.4 86 90 O W B -I 158 0E 22 72,-1.5 72,-1.9 -2,-0.3 -2,-0.0 -0.980 36.0-125.2-157.3 158.4 3.1 52.2 92.0 87 91 O D - 0 0 77 -2,-0.3 2,-0.8 70,-0.2 70,-0.1 0.466 45.3-134.7 -62.7 -12.7 -0.0 52.9 89.6 88 92 O K S S+ 0 0 102 70,-0.2 -1,-0.1 1,-0.1 68,-0.1 -0.159 89.9 45.1 83.6 -38.6 0.1 49.6 87.6 89 93 O T S S+ 0 0 91 -2,-0.8 2,-0.1 0, 0.0 -1,-0.1 -0.032 107.7 30.7-131.8 36.6 -0.3 51.0 84.2 90 94 O T S S- 0 0 97 456,-0.1 -2,-0.1 1,-0.1 456,-0.0 -0.423 75.4 -95.0-153.9-127.6 1.9 54.2 83.6 91 95 O G + 0 0 21 1,-0.2 454,-0.1 -2,-0.1 -1,-0.1 0.715 63.6 62.0-144.6 -42.2 5.2 55.8 84.6 92 96 O Q - 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