==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-11 3B1Q . COMPND 2 MOLECULE: RIBOKINASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR Y.YASUTAKE,H.OTA,E.HINO,S.SAKASEGAWA,T.TAMURA . 1821 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1406 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 271 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 171 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 525 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.5 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 6 0 0 0 0 12 7 11 0 12 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 6 13 11 6 4 2 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 0 0 4 8 9 3 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 . 0 0 0 6 0 0 0 6 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 A 0 0 15 0, 0.0 129,-2.9 0, 0.0 130,-1.0 0.000 360.0 360.0 360.0 162.1 30.7 37.2 83.4 2 3 A T E -ab 57 131A 1 54,-2.7 56,-3.1 127,-0.2 2,-0.4 -0.946 360.0-142.0-115.0 124.2 31.7 34.1 81.5 3 4 A L E -ab 58 132A 0 128,-2.3 130,-2.0 -2,-0.5 2,-0.7 -0.666 13.3-161.9 -86.6 126.2 33.2 34.4 78.0 4 5 A I E -ab 59 133A 0 54,-2.9 56,-3.0 -2,-0.4 2,-0.5 -0.872 8.4-173.7-114.8 99.4 32.0 31.7 75.7 5 6 A C E +ab 60 134A 1 128,-2.8 130,-2.8 -2,-0.7 2,-0.3 -0.791 34.8 87.0 -96.8 128.4 34.3 31.3 72.7 6 7 A G S S- 0 0 0 54,-1.8 131,-0.2 -2,-0.5 56,-0.2 -0.979 73.3 -36.1 171.0-173.0 33.2 28.9 69.9 7 8 A S - 0 0 6 129,-2.0 36,-2.0 -2,-0.3 37,-1.2 -0.266 35.7-159.3 -67.5 150.9 31.2 28.4 66.7 8 9 A I + 0 0 2 54,-0.4 86,-0.7 35,-0.2 33,-0.3 -0.990 35.8 150.1-128.1 124.1 27.9 30.2 66.1 9 10 A A E -Ij 40 94B 0 31,-1.5 31,-2.5 -2,-0.4 2,-0.5 -0.962 50.1-112.5-154.4 157.7 26.0 28.2 63.4 10 11 A Y E -Ij 39 95B 19 84,-2.2 86,-2.4 -2,-0.3 2,-0.4 -0.911 36.1-145.8 -98.7 132.9 22.7 27.1 61.9 11 12 A D E -Ij 38 96B 7 27,-3.2 27,-2.4 -2,-0.5 2,-0.5 -0.754 13.0-165.6-103.1 137.2 22.1 23.4 62.3 12 13 A N E -Ij 37 97B 2 84,-2.6 86,-2.8 -2,-0.4 2,-0.4 -0.938 19.5-163.1-123.2 106.4 20.3 21.3 59.8 13 14 A I E +Ij 36 98B 7 23,-2.8 23,-2.2 -2,-0.5 2,-0.3 -0.776 13.5 172.0-110.2 127.1 19.5 18.1 61.6 14 15 A M E -Ij 35 99B 5 84,-3.2 86,-2.3 -2,-0.4 2,-0.4 -0.915 22.7-134.9-131.0 148.2 18.5 14.9 59.8 15 16 A T E - j 0 100B 76 19,-0.6 2,-0.5 -2,-0.3 19,-0.2 -0.856 8.6-153.2-103.8 148.5 17.9 11.3 60.9 16 17 A F E - j 0 101B 21 84,-3.7 2,-2.0 -2,-0.4 86,-0.5 -0.978 12.2-142.2-118.8 119.6 19.2 8.2 59.2 17 18 A E S S+ 0 0 119 -2,-0.5 2,-0.3 84,-0.2 84,-0.1 -0.478 76.9 48.3 -76.6 70.3 17.2 4.9 59.7 18 19 A G S S- 0 0 11 -2,-2.0 84,-2.5 5,-0.0 2,-0.4 -0.909 94.0 -85.1-169.7-166.6 20.1 2.5 59.9 19 20 A R > - 0 0 98 -2,-0.3 3,-1.2 82,-0.2 -2,-0.1 -0.987 25.7-138.3-114.6 134.8 23.4 2.3 61.7 20 21 A F G > S+ 0 0 44 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.894 100.0 69.0 -55.2 -40.9 26.4 4.0 60.1 21 22 A R G 3 S+ 0 0 213 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.768 102.8 43.4 -47.9 -33.9 28.6 0.9 61.0 22 23 A E G < 0 0 125 -3,-1.2 -1,-0.3 0, 0.0 -2,-0.1 -0.024 360.0 360.0-108.2 34.4 26.7 -1.3 58.4 23 24 A H < 0 0 163 -3,-1.8 -3,-0.1 -5,-0.1 -2,-0.1 0.035 360.0 360.0-149.3 360.0 26.5 1.2 55.5 24 ! 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 25 32 A L 0 0 137 0, 0.0 2,-0.1 0, 0.0 1607,-0.0 0.000 360.0 360.0 360.0 91.1 35.0 4.9 43.5 26 33 A I + 0 0 107 1,-0.1 1608,-2.6 1607,-0.0 2,-0.2 -0.321 360.0 179.7 -67.0 130.2 32.1 5.2 45.9 27 34 A N E +m 1634 0C 98 1606,-0.2 2,-0.4 -2,-0.1 1608,-0.2 -0.611 18.4 173.5-124.8 66.4 28.9 6.9 44.6 28 35 A L E +m 1635 0C 59 1606,-1.9 1608,-3.8 -2,-0.2 2,-0.4 -0.655 7.4 176.1 -92.7 123.2 26.7 6.6 47.7 29 36 A S E +m 1636 0C 42 -2,-0.4 2,-0.4 1606,-0.2 1608,-0.2 -0.987 1.7 179.5-127.2 127.9 23.2 8.3 47.8 30 37 A F E -m 1637 0C 44 1606,-2.8 1608,-2.7 -2,-0.4 2,-0.2 -0.975 28.4-116.6-130.5 145.6 20.6 8.1 50.6 31 38 A L E -m 1638 0C 55 -2,-0.4 1608,-0.2 1606,-0.2 1606,-0.0 -0.514 21.1-171.2 -78.7 130.7 17.2 9.7 51.0 32 39 A V + 0 0 1 1606,-2.9 -16,-0.1 -2,-0.2 -1,-0.0 -0.893 6.7 177.9-120.8 100.2 16.7 12.1 53.9 33 40 A P + 0 0 76 0, 0.0 2,-0.4 0, 0.0 1608,-0.2 0.850 63.9 39.8 -82.5 -27.7 13.0 12.8 54.1 34 41 A T + 0 0 73 -19,-0.2 -19,-0.6 2,-0.0 2,-0.4 -0.956 57.5 171.5-122.2 135.3 12.9 15.1 57.1 35 42 A M E -I 14 0B 73 -2,-0.4 2,-0.4 -21,-0.2 -21,-0.2 -0.987 14.1-158.6-133.7 140.4 15.3 17.9 58.0 36 43 A R E -I 13 0B 104 -23,-2.2 -23,-2.8 -2,-0.4 2,-0.4 -0.991 11.8-141.3-119.1 131.0 14.8 20.4 60.9 37 44 A R E +I 12 0B 140 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.2 -0.731 30.2 168.9 -90.5 137.6 16.6 23.7 61.0 38 45 A E E -I 11 0B 39 -27,-2.4 -27,-3.2 -2,-0.4 2,-0.3 -0.987 40.5 -99.1-144.8 154.1 17.7 24.9 64.4 39 46 A F E +I 10 0B 60 -2,-0.3 244,-0.4 -29,-0.2 -29,-0.2 -0.588 61.5 139.5 -74.7 134.5 19.9 27.5 66.1 40 47 A G E +I 9 0B 0 -31,-2.5 -31,-1.5 -2,-0.3 4,-0.2 -0.578 14.9 130.9-151.5-147.8 23.3 26.0 67.0 41 48 A G > - 0 0 5 -33,-0.3 4,-2.9 -2,-0.2 5,-0.3 0.295 66.0 -96.5 85.5 139.8 27.0 26.4 67.1 42 49 A C H > S+ 0 0 8 1,-0.2 4,-2.7 94,-0.2 5,-0.2 0.888 122.7 45.9 -59.7 -44.8 29.0 25.6 70.3 43 50 A A H > S+ 0 0 0 -36,-2.0 4,-2.3 93,-0.2 -1,-0.2 0.899 114.2 48.3 -68.7 -40.9 29.1 29.1 71.7 44 51 A G H > S+ 0 0 2 -37,-1.2 4,-2.3 -4,-0.2 -2,-0.2 0.944 115.0 45.9 -63.4 -41.7 25.4 29.7 71.0 45 52 A N H X S+ 0 0 8 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.932 115.1 45.5 -65.1 -47.1 24.5 26.4 72.6 46 53 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.912 113.9 48.9 -66.1 -40.4 26.7 26.9 75.7 47 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.890 108.9 53.6 -67.6 -39.7 25.6 30.4 76.2 48 55 A Y H X S+ 0 0 16 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.934 111.0 47.3 -57.6 -46.8 22.0 29.4 75.9 49 56 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.914 113.3 46.5 -59.5 -47.1 22.6 26.7 78.7 50 57 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.4 0.895 111.3 52.2 -66.8 -35.7 24.4 29.2 81.0 51 58 A N H ><5S+ 0 0 52 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.887 102.4 59.0 -69.2 -36.3 21.7 31.8 80.5 52 59 A L H 3<5S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.872 106.7 50.7 -53.3 -35.8 18.9 29.2 81.4 53 60 A L T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.585 125.3-103.5 -81.9 -10.3 20.7 28.9 84.7 54 61 A G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.544 74.4 141.5 94.6 13.7 20.9 32.6 85.4 55 62 A G < - 0 0 8 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.2 -0.256 58.9-114.6 -76.1 168.7 24.6 33.0 84.4 56 63 A D - 0 0 68 -2,-0.0 -54,-2.7 2,-0.0 2,-0.5 -0.895 39.1-171.6-113.1 97.8 26.0 36.0 82.5 57 64 A A E -a 2 0A 3 -2,-0.7 2,-0.7 -56,-0.2 24,-0.5 -0.773 11.8-168.2-100.5 126.6 27.1 34.5 79.2 58 65 A R E -ac 3 81A 42 -56,-3.1 -54,-2.9 -2,-0.5 2,-0.2 -0.889 15.7-147.5-116.7 105.7 29.1 36.6 76.7 59 66 A M E -a 4 0A 1 -2,-0.7 25,-0.6 22,-0.6 2,-0.5 -0.464 11.4-168.3 -72.2 139.9 29.4 34.9 73.4 60 67 A M E +ac 5 84A 1 -56,-3.0 -54,-1.8 -2,-0.2 2,-0.3 -0.976 39.5 101.3-129.6 109.9 32.6 35.5 71.3 61 68 A G E - c 0 85A 0 23,-1.6 25,-2.2 -2,-0.5 2,-0.4 -0.966 61.3 -97.6-173.2 177.2 32.3 34.2 67.8 62 69 A T E - c 0 86A 2 -2,-0.3 -54,-0.4 23,-0.2 32,-0.4 -0.921 26.1-176.8-119.4 140.8 31.8 35.3 64.2 63 70 A L E - c 0 87A 0 23,-2.7 25,-2.9 -2,-0.4 2,-0.5 -0.787 30.3-110.3-121.7 166.3 28.7 35.2 62.0 64 71 A G E >> - c 0 88A 0 -2,-0.3 3,-1.4 23,-0.2 4,-1.2 -0.887 14.8-134.8-104.6 140.9 28.3 36.1 58.3 65 72 A A T 34 S+ 0 0 48 23,-3.0 4,-0.3 -2,-0.5 27,-0.1 0.747 97.8 71.5 -65.0 -22.4 26.4 39.3 57.3 66 73 A V T 34 S- 0 0 61 25,-2.4 -1,-0.3 22,-0.4 26,-0.2 0.923 125.7 -0.4 -58.4 -39.5 24.5 37.4 54.5 67 74 A D T <4 S+ 0 0 36 -3,-1.4 4,-0.4 24,-0.4 -2,-0.2 0.126 96.7 108.9-143.1 21.2 22.4 35.5 57.0 68 75 A A >X + 0 0 2 -4,-1.2 4,-2.3 1,-0.2 3,-1.0 0.772 58.3 86.0 -70.5 -28.1 23.4 36.5 60.5 69 76 A Q H 3> S+ 0 0 107 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.835 82.8 53.8 -56.1 -39.4 20.2 38.5 61.3 70 77 A P H 3> S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 113.5 44.6 -58.0 -37.7 18.0 35.7 62.6 71 78 A Y H <> S+ 0 0 3 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 0.916 112.6 50.8 -75.1 -38.0 20.6 34.6 65.1 72 79 A L H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.913 111.4 48.8 -67.1 -39.4 21.3 38.3 66.2 73 80 A D H X S+ 0 0 83 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.879 111.0 49.6 -65.5 -40.1 17.5 38.8 66.7 74 81 A R H X S+ 0 0 58 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.938 110.2 51.4 -61.4 -42.8 17.3 35.5 68.8 75 82 A M H X>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 4,-0.9 0.928 111.2 47.5 -60.2 -46.3 20.3 36.7 70.9 76 83 A D H ><5S+ 0 0 82 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.904 110.1 51.4 -63.0 -39.7 18.5 40.0 71.5 77 84 A A H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.9 48.4 -66.2 -31.1 15.2 38.3 72.4 78 85 A L H 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.563 113.1-120.5 -79.3 -15.2 17.2 36.2 74.9 79 86 A G T <<5 + 0 0 65 -4,-0.9 2,-0.5 -3,-0.7 -3,-0.2 0.666 59.9 154.3 77.0 19.2 19.0 39.2 76.3 80 87 A L < - 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0 0 43 -3,-0.9 -25,-2.4 -28,-0.0 -24,-0.4 -0.928 62.2-125.8-129.8 148.2 30.2 36.2 54.3 92 99 A Y - 0 0 85 -2,-0.3 22,-2.6 -26,-0.2 -27,-0.2 -0.761 28.1-114.5 -93.6 147.8 27.9 33.3 55.1 93 100 A S - 0 0 0 -29,-0.4 20,-0.1 -2,-0.3 -84,-0.1 -0.404 44.9 -85.6 -72.2 155.1 27.4 32.0 58.7 94 101 A A E -j 9 0B 0 -86,-0.7 -84,-2.2 -32,-0.4 2,-0.4 -0.247 44.6-162.4 -56.7 148.7 28.5 28.5 59.5 95 102 A Q E -jK 10 111B 39 16,-2.2 16,-3.2 -86,-0.2 2,-0.5 -1.000 6.7-153.6-138.6 129.5 26.1 25.7 58.8 96 103 A A E -jK 11 110B 3 -86,-2.4 -84,-2.6 -2,-0.4 2,-0.7 -0.930 2.4-158.6-102.4 131.5 26.1 22.2 60.2 97 104 A M E -jK 12 109B 33 12,-2.8 12,-2.2 -2,-0.5 2,-0.5 -0.930 25.7-173.9-106.6 102.2 24.6 19.4 58.2 98 105 A I E -jK 13 108B 9 -86,-2.8 -84,-3.2 -2,-0.7 2,-0.4 -0.871 14.0-172.2-116.9 122.8 24.0 16.8 61.0 99 106 A T E -jK 14 107B 12 8,-2.1 8,-1.9 -2,-0.5 2,-0.5 -0.966 6.7-159.9-120.0 133.4 22.7 13.3 60.5 100 107 A T E -jK 15 106B 7 -86,-2.3 -84,-3.7 -2,-0.4 6,-0.2 -0.933 8.0-150.7-117.8 128.6 21.8 11.0 63.5 101 108 A D E > -j 16 0B 6 4,-3.2 3,-2.5 -2,-0.5 -82,-0.2 -0.432 36.8 -90.8 -91.7 176.5 21.6 7.2 63.2 102 109 A L T 3 S+ 0 0 95 -84,-2.5 -83,-0.2 -86,-0.5 -85,-0.1 0.735 127.4 52.4 -61.4 -25.1 19.5 4.7 65.1 103 110 A D T 3 S- 0 0 94 -85,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.183 120.8-109.1 -89.8 12.4 22.2 4.3 67.8 104 111 A N S < S+ 0 0 64 -3,-2.5 2,-0.3 1,-0.2 -2,-0.2 0.785 73.3 141.7 58.6 26.5 22.2 8.0 68.2 105 112 A N - 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