==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-FEB-09 2KF2 . COMPND 2 MOLECULE: PUTATIVE POLYKETIDE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); . AUTHOR J.R.CORT,T.A.RAMELOT,K.DING,H.WANG,M.JIANG,M.MAGLAQUI, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 88.6 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 . 54 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 47 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 0 0 0 0 1 1 2 0 1 0 0 1 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 0 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 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 1 A M 0 0 133 0, 0.0 2,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 12.2 -6.1 -9.1 18.9 2 2 A A - 0 0 62 111,-0.2 2,-0.5 119,-0.2 111,-0.3 -0.691 360.0-175.3-170.3 117.4 -5.6 -10.2 15.3 3 3 A G E -A 112 0A 8 109,-3.3 109,-2.0 -2,-0.2 2,-0.9 -0.968 14.5-154.3-123.5 128.3 -7.5 -9.2 12.2 4 4 A H E -A 111 0A 117 -2,-0.5 2,-0.7 107,-0.2 107,-0.2 -0.841 16.6-174.2-100.5 99.2 -7.1 -10.4 8.7 5 5 A T E -A 110 0A 2 105,-2.0 105,-3.1 -2,-0.9 2,-0.6 -0.852 4.4-177.3 -96.6 116.7 -8.4 -7.7 6.3 6 6 A D E +A 109 0A 72 -2,-0.7 2,-0.7 103,-0.2 103,-0.2 -0.804 5.4 175.5-116.7 87.8 -8.4 -8.8 2.7 7 7 A N E -A 108 0A 33 101,-2.2 101,-3.3 -2,-0.6 2,-0.4 -0.847 7.6-174.5 -98.8 115.5 -9.6 -5.9 0.5 8 8 A E E +A 107 0A 100 -2,-0.7 2,-0.3 99,-0.3 99,-0.2 -0.870 5.3 179.9-113.2 140.2 -9.5 -6.7 -3.1 9 9 A I E -A 106 0A 34 97,-2.2 97,-3.2 -2,-0.4 2,-0.4 -1.000 25.1-122.9-143.6 139.9 -10.2 -4.3 -6.0 10 10 A T E -A 105 0A 52 -2,-0.3 2,-0.4 95,-0.3 95,-0.2 -0.650 25.8-173.5 -87.0 132.5 -10.1 -4.8 -9.8 11 11 A I E -A 104 0A 2 93,-1.7 93,-1.5 -2,-0.4 131,-0.1 -0.977 24.2-148.1-124.2 141.1 -7.9 -2.5 -11.9 12 12 A A + 0 0 65 -2,-0.4 91,-0.1 91,-0.2 93,-0.1 0.140 65.2 114.6 -92.5 21.7 -7.8 -2.4 -15.7 13 13 A A S S- 0 0 3 91,-0.2 91,-0.6 1,-0.1 -2,-0.1 -0.722 73.3-106.1 -95.2 141.0 -4.1 -1.5 -15.7 14 14 A P > - 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.303 28.3-113.8 -64.5 148.2 -1.5 -3.9 -17.1 15 15 A M H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.841 112.5 61.0 -49.3 -41.8 0.8 -5.9 -14.6 16 16 A E H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 110.4 36.6 -54.0 -53.9 3.8 -4.0 -15.8 17 17 A L H > S+ 0 0 27 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.878 115.8 54.8 -73.1 -37.2 2.6 -0.5 -14.8 18 18 A V H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.939 114.3 41.3 -57.0 -48.0 0.9 -1.8 -11.7 19 19 A W H X S+ 0 0 56 -4,-3.1 4,-1.4 -5,-0.2 -2,-0.2 0.966 118.2 43.8 -66.4 -53.4 4.1 -3.4 -10.5 20 20 A T H X S+ 0 0 76 -4,-2.7 4,-1.1 -5,-0.3 -2,-0.2 0.853 113.4 52.0 -65.5 -34.3 6.5 -0.5 -11.5 21 21 A M H < S+ 0 0 37 -4,-2.6 3,-0.3 -5,-0.2 6,-0.2 0.924 111.3 45.2 -69.3 -43.8 4.2 2.2 -10.1 22 22 A T H < S+ 0 0 19 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.705 111.3 54.7 -74.4 -19.3 3.8 0.6 -6.7 23 23 A N H < S+ 0 0 35 -4,-1.4 2,-1.7 1,-0.2 -1,-0.2 0.719 90.2 80.3 -82.0 -23.4 7.5 -0.0 -6.6 24 24 A D >< + 0 0 50 -4,-1.1 3,-1.5 -3,-0.3 4,-0.2 -0.617 57.4 171.4 -85.5 81.8 8.2 3.6 -7.3 25 25 A I G > + 0 0 4 -2,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.658 65.6 75.2 -68.7 -14.5 7.6 4.8 -3.7 26 26 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.1 12,-0.2 0.683 95.9 48.6 -73.9 -16.2 8.8 8.3 -4.6 27 27 A K G X S+ 0 0 101 -3,-1.5 3,-1.6 -6,-0.2 4,-0.3 0.390 81.2 99.2-103.1 2.4 5.6 9.0 -6.3 28 28 A W G X> S+ 0 0 30 -3,-1.1 4,-3.8 1,-0.3 3,-2.4 0.883 74.4 61.3 -56.7 -43.4 3.4 7.7 -3.5 29 29 A P G 34 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.683 98.7 60.3 -57.7 -16.2 2.8 11.3 -2.1 30 30 A G G <4 S+ 0 0 43 -3,-1.6 -2,-0.2 1,-0.1 3,-0.1 0.529 119.4 25.0 -88.3 -7.6 1.1 12.0 -5.5 31 31 A L T <4 S+ 0 0 26 -3,-2.4 2,-0.7 -4,-0.3 -3,-0.1 0.633 117.9 60.4-118.9 -39.7 -1.4 9.3 -4.8 32 32 A F >< - 0 0 20 -4,-3.8 3,-0.7 -5,-0.1 -1,-0.2 -0.847 50.2-179.3-101.8 112.3 -1.6 9.1 -1.0 33 33 A S T 3 S+ 0 0 108 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.516 75.1 79.8 -81.6 -6.0 -2.6 12.3 0.7 34 34 A E T 3 S+ 0 0 72 20,-0.1 21,-0.3 -3,-0.0 -1,-0.2 0.728 94.3 47.8 -75.2 -21.9 -2.2 10.5 4.0 35 35 A Y < - 0 0 42 -3,-0.7 19,-0.3 19,-0.1 3,-0.1 -0.601 59.7-158.4-115.7 173.2 1.6 11.0 4.0 36 36 A A S S+ 0 0 45 17,-2.8 2,-0.3 1,-0.4 18,-0.2 0.618 76.3 14.6-122.2 -33.3 3.9 13.9 3.3 37 37 A S E -B 53 0A 53 16,-2.9 16,-2.8 2,-0.0 2,-0.5 -0.995 50.2-159.9-148.9 140.7 7.2 12.3 2.3 38 38 A V E -B 52 0A 15 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.923 21.4-167.8-121.1 102.3 8.4 8.8 1.3 39 39 A E E -B 51 0A 85 12,-2.2 12,-2.7 -2,-0.5 2,-1.0 -0.806 17.5-138.1-101.3 126.2 12.1 8.6 1.8 40 40 A V E +B 50 0A 67 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.696 22.5 177.1 -84.6 102.1 14.2 5.7 0.4 41 41 A L E - 0 0 101 8,-1.5 2,-0.3 -2,-1.0 -1,-0.2 0.917 66.8 -33.0 -70.4 -44.0 16.6 4.7 3.1 42 42 A G E -B 49 0A 33 7,-1.9 7,-2.5 -3,-0.2 2,-0.6 -0.954 48.9-131.7-171.4 156.2 18.0 1.9 1.1 43 43 A R E -B 48 0A 180 -2,-0.3 2,-1.2 5,-0.2 5,-0.2 -0.931 10.2-171.7-121.6 108.8 17.1 -0.7 -1.5 44 44 A D E > -B 47 0A 108 3,-3.2 3,-1.9 -2,-0.6 2,-1.6 -0.466 55.2-101.8 -92.9 59.0 18.1 -4.3 -0.9 45 45 A D T 3 S+ 0 0 125 -2,-1.2 -1,-0.1 1,-0.3 26,-0.0 -0.374 116.4 22.1 59.8 -83.9 17.1 -5.4 -4.4 46 46 A D T 3 S+ 0 0 88 -2,-1.6 25,-2.3 1,-0.1 2,-0.8 0.842 119.9 69.2 -78.4 -36.2 13.8 -7.0 -3.4 47 47 A K E < -BC 44 70A 65 -3,-1.9 -3,-3.2 23,-0.2 2,-0.8 -0.764 62.7-170.2 -89.5 111.2 13.5 -5.1 -0.2 48 48 A V E -BC 43 69A 9 21,-3.0 21,-2.1 -2,-0.8 2,-0.6 -0.880 12.2-161.8 -98.7 105.8 12.8 -1.4 -0.6 49 49 A T E +BC 42 68A 29 -7,-2.5 -7,-1.9 -2,-0.8 -8,-1.5 -0.805 18.4 168.6 -94.9 118.1 13.2 0.1 2.8 50 50 A F E -BC 40 67A 5 17,-2.1 17,-2.4 -2,-0.6 2,-0.6 -0.818 35.3-125.6-128.6 164.5 11.6 3.5 3.2 51 51 A R E -BC 39 66A 101 -12,-2.7 -12,-2.2 -2,-0.3 2,-1.0 -0.958 20.7-147.3-112.2 114.5 10.7 6.0 5.9 52 52 A L E -BC 38 65A 11 13,-3.0 13,-1.3 -2,-0.6 2,-0.5 -0.739 20.3-171.8 -84.8 104.5 7.0 7.0 5.8 53 53 A T E -BC 37 64A 14 -16,-2.8 -16,-2.9 -2,-1.0 -17,-2.8 -0.860 0.4-168.4-103.0 126.6 7.0 10.7 6.9 54 54 A M - 0 0 39 9,-3.6 9,-0.2 -2,-0.5 -19,-0.1 -0.486 33.9 -81.7-101.4 175.3 3.7 12.4 7.6 55 55 A H - 0 0 118 -21,-0.3 8,-0.4 -2,-0.2 -1,-0.1 -0.440 62.5 -85.4 -71.7 153.5 2.7 16.0 8.2 56 56 A P - 0 0 65 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 -0.147 43.0-120.5 -61.8 154.9 3.3 17.3 11.8 57 57 A D > - 0 0 57 4,-2.6 3,-1.4 -3,-0.1 5,-0.0 -0.006 45.1 -74.1 -81.8-167.0 0.7 16.9 14.5 58 58 A A T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.723 134.4 49.9 -65.9 -21.3 -1.1 19.6 16.5 59 59 A D T 3 S- 0 0 155 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.466 123.0-104.0 -96.5 -3.7 2.0 20.2 18.5 60 60 A G S < S+ 0 0 54 -3,-1.4 2,-0.5 1,-0.3 -2,-0.1 0.657 73.2 144.8 90.4 17.8 4.2 20.5 15.4 61 61 A K - 0 0 137 -6,-0.1 -4,-2.6 1,-0.0 2,-0.3 -0.788 44.1-136.5 -94.1 127.2 5.7 17.1 15.8 62 62 A V - 0 0 76 -2,-0.5 2,-0.4 -6,-0.3 -7,-0.1 -0.658 14.7-145.6 -85.4 134.9 6.5 15.2 12.6 63 63 A W + 0 0 139 -8,-0.4 -9,-3.6 -2,-0.3 2,-0.3 -0.847 27.9 155.4-105.3 136.6 5.6 11.5 12.5 64 64 A S E -C 53 0A 32 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.987 13.9-177.5-156.3 147.4 7.6 9.0 10.6 65 65 A W E -C 52 0A 33 -13,-1.3 -13,-3.0 -2,-0.3 2,-0.4 -0.995 26.7-117.1-148.3 149.8 8.3 5.2 10.7 66 66 A V E +C 51 0A 32 -2,-0.3 18,-1.7 -15,-0.2 17,-1.4 -0.699 33.5 176.6 -88.0 136.1 10.5 2.7 8.8 67 67 A S E -CD 50 82A 5 -17,-2.4 -17,-2.1 -2,-0.4 2,-0.6 -0.994 24.1-134.2-139.5 146.4 8.8 -0.1 6.8 68 68 A E E -CD 49 81A 37 13,-2.8 13,-2.3 -2,-0.3 2,-0.7 -0.892 14.2-166.3-104.8 119.5 10.2 -2.8 4.5 69 69 A R E -CD 48 80A 0 -21,-2.1 -21,-3.0 -2,-0.6 2,-0.5 -0.900 9.5-163.8-106.4 107.3 8.4 -3.4 1.2 70 70 A V E -CD 47 79A 28 9,-3.4 9,-3.0 -2,-0.7 2,-0.8 -0.781 10.6-144.7 -94.1 128.6 9.5 -6.7 -0.3 71 71 A A E - D 0 78A 9 -25,-2.3 7,-0.2 -2,-0.5 -2,-0.0 -0.840 14.2-173.6 -93.3 110.9 8.8 -7.4 -4.0 72 72 A D E > + D 0 77A 36 5,-3.2 5,-3.0 -2,-0.8 3,-0.3 -0.833 5.2 177.8-105.4 92.3 8.0 -11.1 -4.5 73 73 A P T 5 + 0 0 76 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.766 69.4 65.9 -69.9 -26.9 7.8 -11.4 -8.3 74 74 A V T 5S+ 0 0 132 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.922 115.8 25.6 -66.7 -46.3 7.1 -15.1 -8.4 75 75 A T T 5S- 0 0 74 -3,-0.3 -1,-0.3 2,-0.1 22,-0.2 0.277 110.0-115.9 -98.9 10.8 3.7 -15.0 -6.7 76 76 A R T 5 + 0 0 84 -3,-0.4 21,-2.9 -4,-0.3 2,-0.4 0.902 69.8 146.6 55.3 44.3 3.2 -11.4 -7.9 77 77 A T E < -DE 72 96A 9 -5,-3.0 -5,-3.2 19,-0.2 2,-0.5 -0.882 42.1-157.8-119.5 139.3 3.2 -10.5 -4.2 78 78 A V E -DE 71 95A 0 17,-2.4 17,-3.0 -2,-0.4 2,-0.7 -0.977 8.5-161.2-114.8 126.7 4.3 -7.4 -2.3 79 79 A R E -DE 70 94A 109 -9,-3.0 -9,-3.4 -2,-0.5 2,-0.8 -0.886 9.7-179.9-111.7 102.7 5.1 -7.8 1.4 80 80 A A E +DE 69 93A 6 13,-3.2 13,-3.2 -2,-0.7 2,-0.4 -0.848 7.4 178.5-106.0 99.5 5.1 -4.5 3.3 81 81 A Q E -DE 68 92A 80 -13,-2.3 -13,-2.8 -2,-0.8 2,-0.6 -0.818 25.7-128.8-102.0 138.1 6.0 -5.1 6.9 82 82 A R E -D 67 0A 56 9,-1.8 -15,-0.2 -2,-0.4 9,-0.2 -0.765 17.4-172.6 -89.4 122.5 6.2 -2.2 9.4 83 83 A V S S+ 0 0 84 -17,-1.4 2,-0.6 -2,-0.6 -16,-0.2 0.938 79.4 49.2 -73.4 -49.7 9.4 -2.2 11.5 84 84 A E S S+ 0 0 97 -18,-1.7 2,-0.3 0, 0.0 -1,-0.2 -0.825 74.0 139.2 -96.7 121.0 8.3 0.6 13.7 85 85 A T - 0 0 51 -2,-0.6 6,-0.0 1,-0.1 -19,-0.0 -0.971 24.2-179.4-159.3 145.8 4.8 0.2 15.2 86 86 A G S S+ 0 0 44 -2,-0.3 -1,-0.1 31,-0.0 31,-0.0 0.710 81.7 25.6-111.2 -83.0 3.1 0.8 18.5 87 87 A P S S+ 0 0 66 0, 0.0 28,-1.2 0, 0.0 2,-1.0 0.743 113.3 73.9 -59.6 -24.4 -0.6 -0.0 18.9 88 88 A F E - F 0 114A 36 26,-0.2 26,-0.2 1,-0.2 3,-0.1 -0.816 64.1-172.7 -95.5 101.1 -0.3 -2.6 16.2 89 89 A Q E S+ 0 0 114 24,-1.8 2,-0.4 -2,-1.0 -1,-0.2 0.880 78.2 16.0 -60.6 -39.6 1.6 -5.5 17.7 90 90 A Y E + F 0 113A 109 23,-1.4 23,-2.7 -3,-0.1 2,-0.2 -0.991 67.7 167.5-135.1 142.0 1.9 -7.1 14.3 91 91 A M E + F 0 112A 24 -2,-0.4 -9,-1.8 21,-0.3 2,-0.5 -0.739 4.4 163.8-159.1 108.6 1.4 -5.7 10.8 92 92 A N E -EF 81 111A 21 19,-2.5 19,-2.7 -2,-0.2 2,-0.8 -0.980 21.3-156.2-124.7 115.9 2.3 -7.2 7.5 93 93 A I E -EF 80 110A 26 -13,-3.2 -13,-3.2 -2,-0.5 2,-0.7 -0.823 9.5-167.0 -99.0 106.5 0.6 -5.7 4.5 94 94 A V E -EF 79 109A 25 15,-3.4 15,-3.3 -2,-0.8 2,-0.8 -0.833 5.4-167.8 -98.3 112.8 0.5 -8.1 1.6 95 95 A W E -EF 78 108A 17 -17,-3.0 -17,-2.4 -2,-0.7 2,-0.5 -0.864 10.7-173.7 -98.3 102.2 -0.4 -6.7 -1.8 96 96 A E E -EF 77 107A 65 11,-2.2 11,-3.0 -2,-0.8 2,-0.7 -0.853 13.3-149.0 -98.4 130.0 -1.1 -9.6 -4.1 97 97 A Y E - 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