==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-11 3R8E . COMPND 2 MOLECULE: HYPOTHETICAL SUGAR KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 1 1 0 1 1 0 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 2 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 A G 0 0 99 0, 0.0 2,-0.2 0, 0.0 58,-0.1 0.000 360.0 360.0 360.0 171.0 19.2 19.4 41.8 2 1 A X - 0 0 36 17,-0.1 58,-0.6 15,-0.0 59,-0.4 -0.463 360.0-160.5 -71.9 137.5 21.0 19.5 38.4 3 2 A I E -A 18 0A 24 15,-1.8 15,-3.2 -2,-0.2 2,-0.6 -0.951 16.9-125.6-122.3 140.7 20.8 16.3 36.3 4 3 A L E -Ab 17 62A 0 57,-2.3 59,-2.3 -2,-0.4 2,-0.4 -0.782 26.4-166.0 -87.3 120.1 23.2 15.2 33.4 5 4 A G E -Ab 16 63A 0 11,-3.0 11,-1.8 -2,-0.6 2,-0.4 -0.884 2.4-167.9-106.1 136.2 21.2 14.3 30.3 6 5 A I E -Ab 15 64A 0 57,-2.1 59,-2.8 -2,-0.4 2,-0.6 -0.998 8.5-167.5-127.7 126.7 22.9 12.5 27.4 7 6 A D E -Ab 14 65A 26 7,-2.8 7,-2.1 -2,-0.4 2,-0.3 -0.905 14.2-155.2-117.1 99.3 21.4 12.1 23.9 8 7 A V + 0 0 0 57,-2.3 2,-0.3 -2,-0.6 5,-0.2 -0.587 23.1 174.9 -77.9 125.5 23.4 9.4 22.0 9 8 A G - 0 0 14 -2,-0.3 -2,-0.0 57,-0.1 23,-0.0 -0.933 42.4-117.1-135.7 162.5 23.1 9.9 18.2 10 9 A G S S+ 0 0 26 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.787 113.6 19.9 -66.2 -38.4 24.4 8.6 14.8 11 10 A T S S+ 0 0 109 1,-0.3 21,-1.9 21,-0.1 22,-0.6 0.770 135.3 17.0-101.8 -41.1 26.1 11.9 13.6 12 11 A S E - C 0 31A 24 19,-0.3 2,-0.4 20,-0.2 -1,-0.3 -0.989 61.4-144.9-139.2 145.5 26.6 13.7 17.0 13 12 A V E - C 0 30A 0 17,-3.1 17,-2.8 -2,-0.3 2,-0.4 -0.889 23.4-151.5-106.8 137.4 26.5 12.8 20.7 14 13 A K E -AC 7 29A 20 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.3 -0.955 14.8-176.3-125.5 135.0 25.0 15.4 23.1 15 14 A F E +AC 6 28A 1 13,-2.4 13,-2.3 -2,-0.4 2,-0.3 -0.924 14.8 159.5-120.1 143.3 25.7 16.2 26.8 16 15 A G E -A 5 0A 0 -11,-1.8 -11,-3.0 -2,-0.3 2,-0.6 -0.938 39.6-124.1-167.6 144.5 23.9 18.8 29.0 17 16 A L E -AC 4 25A 0 8,-3.0 8,-3.1 -2,-0.3 2,-0.4 -0.809 35.0-152.4 -89.9 120.3 23.1 19.8 32.5 18 17 A V E -AC 3 24A 4 -15,-3.2 -15,-1.8 -2,-0.6 6,-0.2 -0.852 3.3-151.4-104.7 131.4 19.3 20.1 32.9 19 18 A T > - 0 0 7 4,-2.1 3,-1.9 -2,-0.4 -17,-0.1 -0.489 34.7-104.9 -86.6 163.1 17.5 22.4 35.4 20 19 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.712 123.2 55.3 -64.5 -16.6 14.0 21.6 36.9 21 20 A E T 3 S- 0 0 135 2,-0.1 -3,-0.0 99,-0.0 0, 0.0 0.441 124.9-102.3 -92.8 -1.9 12.6 24.3 34.5 22 21 A G < + 0 0 19 -3,-1.9 2,-0.3 1,-0.3 271,-0.1 0.686 69.7 147.5 90.1 22.8 14.1 22.6 31.4 23 22 A E - 0 0 98 270,-0.0 -4,-2.1 2,-0.0 2,-0.5 -0.721 40.5-139.9 -88.5 138.0 17.1 24.8 30.8 24 23 A I E -C 18 0A 38 -2,-0.3 2,-0.3 -6,-0.2 3,-0.3 -0.904 20.1-168.9-101.4 122.2 20.2 23.1 29.3 25 24 A Q E +C 17 0A 71 -8,-3.1 -8,-3.0 -2,-0.5 -2,-0.0 -0.880 65.0 7.6-112.1 144.4 23.5 24.4 30.7 26 25 A N E S- 0 0 67 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.880 78.6-162.6 53.8 48.3 27.0 23.6 29.4 27 26 A A E - 0 0 77 -3,-0.3 2,-0.5 -11,-0.1 -11,-0.2 -0.460 7.3-170.1 -61.9 117.5 25.7 21.9 26.2 28 27 A T E -C 15 0A 41 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.5 -0.977 6.0-163.8-119.4 122.2 28.6 19.9 24.7 29 28 A R E -C 14 0A 147 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.912 5.9-171.0-107.3 128.3 28.3 18.3 21.2 30 29 A F E -C 13 0A 38 -17,-2.8 -17,-3.1 -2,-0.5 2,-0.4 -0.943 27.7-115.5-118.7 140.5 30.7 15.5 20.2 31 30 A X E > -C 12 0A 84 -2,-0.4 4,-1.2 -19,-0.2 -19,-0.3 -0.643 15.0-151.4 -76.8 125.1 31.1 14.0 16.6 32 31 A T H > S+ 0 0 2 -21,-1.9 4,-2.6 -2,-0.4 5,-0.2 0.851 98.7 57.9 -63.0 -36.6 30.1 10.3 16.7 33 32 A A H > S+ 0 0 55 -22,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.897 105.6 49.2 -58.2 -44.6 32.5 9.8 13.7 34 33 A D H 4 S+ 0 0 115 2,-0.2 5,-0.2 1,-0.2 -1,-0.2 0.776 112.0 49.8 -65.2 -32.7 35.4 11.1 15.9 35 34 A W H <>S+ 0 0 14 -4,-1.2 5,-1.4 1,-0.1 -2,-0.2 0.941 114.9 40.9 -72.1 -50.3 34.3 8.8 18.8 36 35 A V H <5S+ 0 0 71 -4,-2.6 2,-1.4 1,-0.2 -2,-0.2 0.904 110.9 61.4 -65.6 -44.9 34.2 5.6 16.6 37 36 A N T <5S+ 0 0 130 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 -0.684 115.2 16.1 -88.0 86.4 37.4 6.6 14.7 38 37 A G T 5S- 0 0 69 -2,-1.4 -3,-0.1 -3,-0.1 3,-0.1 -0.876 132.1 -0.7 158.8-118.8 39.9 6.6 17.7 39 38 A I T 5S- 0 0 84 -2,-0.3 4,-0.3 -5,-0.2 -3,-0.1 0.570 105.7-105.3 -82.1 -10.6 39.6 5.1 21.2 40 39 A G >< - 0 0 23 -5,-1.4 4,-1.8 -6,-0.2 -1,-0.2 -0.227 27.9 -79.9 104.9 164.2 36.0 3.8 20.5 41 40 A F H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.933 125.1 43.3 -66.4 -52.9 32.5 4.7 21.4 42 41 A V H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.887 115.5 49.5 -65.0 -39.6 32.3 3.2 24.9 43 42 A E H > S+ 0 0 98 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.904 113.1 47.0 -65.5 -41.8 35.8 4.6 25.9 44 43 A S H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.844 111.0 52.9 -66.5 -37.0 34.9 8.1 24.6 45 44 A X H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 111.0 44.2 -65.6 -50.0 31.5 7.9 26.5 46 45 A K H X S+ 0 0 129 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.868 114.9 51.7 -65.4 -33.5 33.2 7.0 29.9 47 46 A L H X S+ 0 0 85 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.942 113.2 42.1 -65.7 -50.5 35.9 9.7 29.3 48 47 A E H X S+ 0 0 42 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.780 115.1 50.7 -72.6 -25.8 33.3 12.5 28.5 49 48 A I H >X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 3,-0.8 0.937 109.8 50.8 -71.3 -49.6 31.0 11.4 31.5 50 49 A G H 3X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.854 107.5 53.3 -54.3 -40.4 33.9 11.4 33.9 51 50 A N H 3X S+ 0 0 66 -4,-1.7 4,-0.8 1,-0.2 -1,-0.3 0.767 109.4 50.5 -67.4 -28.2 34.9 15.0 32.8 52 51 A F H < + 0 0 58 -4,-1.5 3,-1.1 1,-0.1 -1,-0.2 -0.797 63.8 171.3-127.8 85.0 29.7 19.4 38.7 57 56 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.623 75.7 64.5 -73.2 -11.8 30.2 17.4 41.9 58 57 A I T 3 S+ 0 0 102 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.582 74.1 112.2 -84.2 -14.4 26.6 18.1 43.1 59 58 A V < + 0 0 5 -3,-1.1 -56,-0.1 -6,-0.2 3,-0.1 -0.456 36.1 171.2 -63.3 127.0 25.1 16.0 40.1 60 59 A K + 0 0 146 -58,-0.6 43,-2.6 -2,-0.2 2,-0.3 0.418 57.2 52.8-117.0 -7.7 23.5 12.8 41.6 61 60 A G E - d 0 103A 2 -59,-0.4 -57,-2.3 41,-0.2 2,-0.4 -0.994 51.3-170.9-139.9 143.9 21.8 11.5 38.4 62 61 A V E -bd 4 104A 0 41,-1.9 43,-1.9 -2,-0.3 2,-0.4 -0.968 8.3-170.5-134.2 115.0 22.6 10.7 34.8 63 62 A G E -bd 5 105A 0 -59,-2.3 -57,-2.1 -2,-0.4 2,-0.4 -0.890 7.1-165.8-105.8 133.1 19.9 9.9 32.2 64 63 A I E -bd 6 106A 0 41,-2.1 43,-1.7 -2,-0.4 2,-0.4 -0.985 9.0-156.2-128.6 127.6 20.9 8.5 28.7 65 64 A G E -bd 7 107A 0 -59,-2.8 -57,-2.3 -2,-0.4 43,-0.2 -0.827 15.8-152.5 -98.1 135.4 18.8 8.2 25.6 66 65 A W E - d 0 108A 3 41,-2.2 43,-2.9 -2,-0.4 2,-1.6 -0.917 15.9-133.1-118.6 135.5 19.9 5.6 23.0 67 66 A P S S+ 0 0 15 0, 0.0 15,-0.4 0, 0.0 2,-0.3 -0.346 83.7 11.4 -85.2 59.8 19.4 5.6 19.1 68 67 A G S S- 0 0 8 -2,-1.6 2,-0.3 12,-0.2 12,-0.2 -0.933 107.5 -15.1 172.7-151.0 18.2 2.0 18.8 69 68 A L E -E 79 0B 52 10,-2.0 9,-1.8 -2,-0.3 10,-0.9 -0.647 50.9-170.9 -86.8 136.4 17.0 -1.0 20.8 70 69 A V E -E 77 0B 0 -2,-0.3 7,-0.2 7,-0.2 38,-0.1 -0.894 31.4 -95.9-122.3 151.1 17.6 -1.2 24.5 71 70 A S > - 0 0 14 5,-2.6 3,-1.3 -2,-0.3 83,-0.1 -0.269 31.0-115.9 -67.0 155.4 17.0 -4.2 26.9 72 71 A L T 3 S+ 0 0 107 1,-0.3 -1,-0.1 81,-0.1 82,-0.1 0.841 118.3 52.8 -59.1 -38.6 13.7 -4.6 28.8 73 72 A D T 3 S- 0 0 91 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.518 111.1-127.2 -75.8 -7.1 15.5 -4.3 32.2 74 73 A R S < S+ 0 0 31 -3,-1.3 32,-0.4 2,-0.1 -2,-0.1 0.892 84.1 102.9 59.3 48.9 17.1 -1.0 30.8 75 74 A T + 0 0 27 1,-0.2 16,-2.1 16,-0.1 17,-0.6 0.579 69.1 61.2-122.7 -27.9 20.7 -2.1 31.5 76 75 A K - 0 0 52 14,-0.3 -5,-2.6 15,-0.1 2,-0.7 -0.814 64.6-142.2-113.3 147.3 21.8 -3.1 28.0 77 76 A V E -E 70 0B 0 -2,-0.3 12,-0.4 12,-0.3 11,-0.4 -0.921 22.5-175.4-100.7 108.9 22.2 -1.4 24.6 78 77 A I E - 0 0 62 -9,-1.8 2,-0.3 -2,-0.7 -1,-0.2 0.994 54.9 -26.9 -73.2 -69.2 21.1 -4.0 22.0 79 78 A L E -E 69 0B 89 -10,-0.9 -10,-2.0 8,-0.1 -1,-0.2 -0.989 41.1-157.9-155.0 146.2 21.8 -2.4 18.6 80 79 A L B > -F 83 0C 6 3,-0.7 3,-0.6 5,-0.4 -12,-0.2 -0.991 14.5-150.2-122.3 116.3 22.1 1.0 16.9 81 80 A P T 3 S+ 0 0 104 0, 0.0 -13,-0.1 0, 0.0 -1,-0.1 0.732 101.4 40.7 -62.6 -19.6 21.6 1.0 13.0 82 81 A N T 3 S+ 0 0 118 -15,-0.4 -14,-0.1 1,-0.2 -73,-0.0 0.596 119.7 45.4 -99.2 -17.7 23.9 4.1 12.7 83 82 A I B < -F 80 0C 3 -3,-0.6 -3,-0.7 -16,-0.2 -1,-0.2 -0.916 67.8-162.9-128.1 101.1 26.5 2.8 15.3 84 83 A P + 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.593 65.8 83.5 -64.0 -9.5 27.5 -0.9 14.9 85 84 A S + 0 0 62 -6,-0.1 -5,-0.4 1,-0.0 -2,-0.1 -0.037 57.5 62.2 -82.4-173.2 29.0 -1.1 18.4 86 85 A V + 0 0 10 1,-0.2 2,-0.4 -7,-0.1 -6,-0.1 0.978 53.4 173.0 53.7 99.6 27.4 -1.7 22.0 87 86 A V - 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0 0 2 -36,-2.8 3,-0.3 -2,-0.4 -34,-0.1 -0.732 26.7-171.9 -77.2 114.6 6.7 20.0 19.0 285 284 A T S S+ 0 0 61 -2,-0.6 -1,-0.1 1,-0.2 -36,-0.0 0.618 72.0 70.4 -90.3 -13.6 8.5 23.2 20.2 286 285 A L S > S+ 0 0 29 1,-0.2 3,-1.8 -173,-0.1 -1,-0.2 0.697 76.7 179.4 -75.3 -18.3 11.5 21.6 22.1 287 286 A E G > - 0 0 131 -3,-0.3 3,-1.3 1,-0.3 4,-0.2 -0.246 64.6 -6.1 54.8-134.3 12.9 20.6 18.7 288 287 A N G 3 S+ 0 0 115 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.473 129.1 68.3 -69.4 -4.8 16.4 18.7 18.9 289 288 A D G <> S+ 0 0 79 -3,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.659 75.7 83.9 -87.9 -17.7 16.5 19.4 22.7 290 289 A A H <> S+ 0 0 3 -3,-1.3 4,-2.7 1,-0.2 -174,-0.2 0.841 87.1 53.9 -53.6 -42.7 13.6 17.0 23.6 291 290 A G H > S+ 0 0 5 -4,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.908 113.0 41.1 -59.7 -48.1 15.8 13.9 23.6 292 291 A L H > S+ 0 0 3 -4,-0.4 4,-2.3 -3,-0.2 -2,-0.2 0.919 116.2 50.0 -67.7 -45.0 18.4 15.3 26.1 293 292 A L H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 113.3 46.9 -60.3 -42.5 15.6 16.9 28.3 294 293 A G H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.863 107.9 55.8 -67.3 -39.1 13.7 13.5 28.3 295 294 A A H >X S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.949 111.8 43.0 -59.8 -46.9 16.9 11.6 29.2 296 295 A A H >X S+ 0 0 1 -4,-2.3 3,-1.2 1,-0.2 4,-0.9 0.878 106.0 65.6 -63.9 -35.8 17.4 13.9 32.2 297 296 A G H 3X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.708 87.5 68.5 -57.4 -26.7 13.6 13.4 32.9 298 297 A L H << S+ 0 0 19 -3,-1.0 3,-0.3 -4,-1.0 -1,-0.3 0.875 100.6 47.3 -59.8 -41.2 14.2 9.7 33.5 299 298 A I H << S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.814 105.4 60.0 -70.9 -34.7 16.1 10.6 36.8 300 299 A X H < 0 0 83 -4,-0.9 -1,-0.2 -239,-0.0 -2,-0.2 0.792 360.0 360.0 -62.9 -34.8 13.2 13.0 37.8 301 300 A E < 0 0 83 -4,-1.2 -3,-0.0 -3,-0.3 0, 0.0 -0.380 360.0 360.0 -68.5 360.0 10.7 10.2 37.8