==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-12 3VEO . COMPND 2 MOLECULE: O-CARBAMOYLTRANSFERASE TOBZ; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOALLOTEICHUS TENEBRARIUS; . AUTHOR C.PARTHIER,M.T.STUBBS,S.GOERLICH,F.JAENECKE . 571 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 0 2 3 1 3 3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 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 . 3 1 1 3 1 3 1 1 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 . 3 0 0 2 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 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 H 0 0 159 0, 0.0 2,-0.6 0, 0.0 355,-0.0 0.000 360.0 360.0 360.0 119.8 10.1 46.3 39.3 2 1 A M - 0 0 45 2,-0.0 22,-2.7 63,-0.0 2,-0.6 -0.897 360.0-171.1 -93.7 124.4 8.7 43.9 36.8 3 2 A R E +A 23 0A 61 -2,-0.6 63,-2.8 20,-0.2 64,-1.3 -0.952 7.1 176.3-119.4 112.9 11.2 41.1 36.3 4 3 A V E -Ab 22 67A 0 18,-2.3 18,-3.0 -2,-0.6 2,-0.6 -0.969 16.7-157.9-126.0 121.6 10.5 38.7 33.5 5 4 A L E -Ab 21 68A 0 62,-2.2 64,-2.9 -2,-0.5 2,-0.3 -0.881 13.8-160.2 -98.7 116.6 12.7 35.8 32.5 6 5 A G E -Ab 20 69A 0 14,-3.8 14,-2.6 -2,-0.6 2,-0.3 -0.785 10.6-168.1 -99.7 144.0 12.1 34.8 28.9 7 6 A L E -Ab 19 70A 0 62,-3.1 64,-2.3 -2,-0.3 2,-0.3 -0.938 18.4-179.2-132.5 148.3 13.1 31.3 27.7 8 7 A N E +A 18 0A 0 10,-2.2 10,-1.9 -2,-0.3 2,-0.1 -0.967 48.3 67.7-137.3 149.3 13.6 29.4 24.5 9 8 A G - 0 0 0 -2,-0.3 37,-0.1 8,-0.3 34,-0.1 0.080 44.4-166.7 113.2 135.7 14.7 25.8 24.3 10 9 A W - 0 0 4 36,-0.2 35,-0.5 35,-0.2 4,-0.3 -0.967 35.2-111.9-150.5 150.5 13.2 22.4 25.3 11 10 A P S S+ 0 0 68 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.689 96.6 74.4 -68.5 -11.3 14.7 19.0 25.6 12 11 A R S S- 0 0 107 1,-0.2 33,-0.1 33,-0.0 -3,-0.1 -0.877 118.1 -38.6-111.7 116.1 12.7 17.6 22.7 13 12 A D S S+ 0 0 90 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.890 96.3 133.4 43.5 59.5 13.5 18.4 19.1 14 13 A F - 0 0 9 -4,-0.3 30,-3.0 -3,-0.1 2,-0.3 -0.919 34.2-168.6-133.2 160.1 14.4 22.1 19.7 15 14 A H + 0 0 69 -2,-0.3 27,-0.2 28,-0.3 28,-0.2 -0.909 59.5 40.4-140.6 166.3 17.2 24.4 18.7 16 15 A D - 0 0 28 25,-4.0 26,-0.2 -2,-0.3 27,-0.1 0.831 66.0-169.7 65.5 38.0 18.5 27.9 19.6 17 16 A A + 0 0 2 25,-1.4 16,-2.1 24,-0.4 17,-0.5 -0.310 20.0 150.9 -54.7 137.1 18.0 27.7 23.4 18 17 A S E -AC 8 32A 0 -10,-1.9 -10,-2.2 14,-0.3 2,-0.3 -0.972 32.2-144.8-162.4 166.3 18.5 31.1 25.0 19 18 A A E -AC 7 31A 0 12,-2.2 12,-2.2 -2,-0.3 2,-0.4 -0.997 10.0-171.7-142.5 143.0 17.3 33.1 28.0 20 19 A A E -AC 6 30A 0 -14,-2.6 -14,-3.8 -2,-0.3 2,-0.6 -1.000 9.0-154.4-137.8 135.8 16.7 36.8 28.4 21 20 A L E -AC 5 29A 0 8,-3.3 7,-2.6 -2,-0.4 8,-1.2 -0.941 7.0-165.0-115.5 119.4 15.9 38.7 31.6 22 21 A L E -AC 4 27A 1 -18,-3.0 -18,-2.3 -2,-0.6 2,-0.5 -0.888 4.3-174.4-100.2 130.7 14.0 42.0 31.5 23 22 A V E > S-AC 3 26A 33 3,-3.1 3,-1.7 -2,-0.5 -20,-0.2 -0.975 77.8 -19.9-123.5 115.8 14.0 44.2 34.5 24 23 A D T 3 S- 0 0 87 -22,-2.7 333,-0.1 -2,-0.5 -21,-0.1 0.869 128.2 -52.3 54.8 40.7 11.7 47.2 34.3 25 24 A G T 3 S+ 0 0 1 -23,-0.4 334,-2.2 1,-0.3 2,-0.3 0.460 118.4 112.5 79.4 0.3 11.6 46.9 30.5 26 25 A R E < S-C 23 0A 163 -3,-1.7 -3,-3.1 332,-0.2 2,-0.9 -0.801 75.7-113.1-107.3 149.0 15.3 46.8 30.3 27 26 A I E +C 22 0A 30 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.698 35.3 172.9 -81.5 107.8 17.5 43.9 29.3 28 27 A A E - 0 0 28 -7,-2.6 2,-0.3 -2,-0.9 -1,-0.2 0.791 69.5 -9.7 -82.7 -30.3 19.5 43.0 32.4 29 28 A A E +C 21 0A 0 -8,-1.2 -8,-3.3 -3,-0.1 -1,-0.3 -0.968 57.7 175.9-167.0 150.8 20.9 39.9 30.8 30 29 A F E +C 20 0A 0 337,-1.8 2,-0.3 -2,-0.3 -10,-0.2 -0.911 11.7 165.1-161.8 127.2 20.6 37.7 27.7 31 30 A A E -C 19 0A 5 -12,-2.2 -12,-2.2 -2,-0.3 2,-0.4 -0.996 32.5-125.4-147.1 151.8 22.6 34.7 26.5 32 31 A E E >> -C 18 0A 10 -2,-0.3 3,-1.0 -14,-0.2 4,-0.9 -0.794 23.8-132.1 -90.2 136.3 22.5 31.9 24.0 33 32 A E H >> S+ 0 0 3 -16,-2.1 4,-2.8 -2,-0.4 3,-1.0 0.880 102.8 62.4 -53.5 -43.2 22.9 28.4 25.5 34 33 A E H 3> S+ 0 0 23 -17,-0.5 4,-2.1 1,-0.3 -1,-0.2 0.809 96.5 57.7 -55.7 -34.9 25.5 27.4 22.9 35 34 A R H <4 S+ 0 0 14 -3,-1.0 507,-0.3 2,-0.2 -1,-0.3 0.840 115.2 37.1 -67.9 -31.2 28.0 30.1 24.0 36 35 A L H << S+ 0 0 40 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.870 123.3 39.7 -87.0 -42.8 28.0 28.7 27.5 37 36 A T H < S- 0 0 40 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.722 97.9-133.5 -77.5 -22.0 27.8 25.0 26.7 38 37 A R < + 0 0 62 -4,-2.1 2,-0.7 -5,-0.3 -3,-0.2 0.556 68.5 125.3 74.1 10.4 30.1 25.3 23.7 39 38 A K > - 0 0 159 -6,-0.2 3,-1.6 -5,-0.2 -1,-0.2 -0.873 65.1-121.1-107.1 110.2 27.6 23.2 21.8 40 39 A K T 3 S+ 0 0 69 -2,-0.7 3,-0.5 1,-0.2 -7,-0.0 -0.084 87.0 11.3 -53.2 136.2 26.5 25.0 18.6 41 40 A H T 3 S- 0 0 41 1,-0.2 -25,-4.0 -26,-0.1 -24,-0.4 0.287 98.0-109.5 83.5 -7.2 22.9 25.8 18.1 42 41 A G < - 0 0 4 -3,-1.6 -25,-1.4 -26,-0.2 3,-0.5 0.921 52.9-168.4 51.3 51.9 21.7 25.0 21.6 43 42 A Y - 0 0 113 -3,-0.5 -28,-0.3 1,-0.2 -1,-0.2 -0.448 49.7 -6.1 -76.0 143.7 19.9 21.8 20.5 44 43 A N S S+ 0 0 84 -30,-3.0 2,-0.3 -2,-0.2 -1,-0.2 0.816 103.3 103.5 51.5 47.7 17.5 19.8 22.5 45 44 A T S S- 0 0 41 -35,-0.5 -35,-0.2 -3,-0.5 -1,-0.1 -0.982 72.5-114.7-158.0 141.8 17.9 21.5 25.8 46 45 A A - 0 0 6 -2,-0.3 2,-2.4 49,-0.2 3,-0.3 -0.487 51.9-101.6 -62.6 151.0 16.2 23.9 28.2 47 46 A P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.351 66.7 153.0 -75.9 58.2 18.4 27.1 28.4 48 47 A V H > S+ 0 0 33 -2,-2.4 4,-1.9 1,-0.2 5,-0.1 0.916 70.2 38.6 -58.6 -49.3 19.7 25.9 31.7 49 48 A Q H > S+ 0 0 97 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.896 116.9 50.4 -72.9 -37.9 23.1 27.7 31.5 50 49 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 113.3 45.4 -65.6 -43.2 21.7 30.9 29.9 51 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.885 111.6 52.5 -68.9 -38.2 19.0 31.2 32.5 52 51 A A H X S+ 0 0 34 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.905 110.9 48.2 -63.8 -41.4 21.4 30.5 35.3 53 52 A F H X S+ 0 0 27 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.941 108.2 54.1 -60.7 -47.6 23.6 33.2 33.9 54 53 A C H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.922 112.3 43.9 -54.6 -44.5 20.8 35.7 33.6 55 54 A L H X>S+ 0 0 11 -4,-2.2 5,-2.6 2,-0.2 4,-0.9 0.934 114.4 48.6 -68.7 -46.3 19.8 35.2 37.3 56 55 A A H ><5S+ 0 0 77 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.923 110.3 52.9 -57.2 -44.7 23.4 35.4 38.5 57 56 A Q H 3<5S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.5 39.3 -59.3 -39.0 24.0 38.5 36.4 58 57 A A H 3<5S- 0 0 35 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.465 109.2-119.8 -93.6 -1.3 21.0 40.3 38.0 59 58 A G T <<5S+ 0 0 63 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.2 0.906 71.2 129.2 62.1 43.0 21.5 39.0 41.5 60 59 A L < - 0 0 29 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.824 47.3-152.9-124.7 161.9 18.1 37.2 41.4 61 60 A T > - 0 0 57 -2,-0.3 3,-2.1 -3,-0.1 4,-0.2 -0.776 45.2 -94.7-118.5 173.9 16.6 33.8 42.1 62 61 A V G > S+ 0 0 4 41,-0.6 3,-1.9 1,-0.3 42,-0.1 0.845 123.5 66.2 -57.5 -31.4 13.4 32.4 40.5 63 62 A D G 3 S+ 0 0 45 40,-0.3 -1,-0.3 1,-0.3 41,-0.1 0.667 96.3 56.9 -64.6 -14.4 11.5 33.7 43.6 64 63 A D G < S+ 0 0 61 -3,-2.1 2,-0.4 44,-0.0 -1,-0.3 0.432 86.9 101.7 -93.5 -1.8 12.4 37.2 42.4 65 64 A L < - 0 0 12 -3,-1.9 -61,-0.2 -4,-0.2 3,-0.1 -0.676 56.0-160.7 -89.1 136.1 10.7 36.8 39.0 66 65 A D S S- 0 0 62 -63,-2.8 2,-0.3 -2,-0.4 -62,-0.2 0.782 78.8 -2.9 -76.9 -28.7 7.3 38.1 38.3 67 66 A A E -b 4 0A 1 -64,-1.3 -62,-2.2 41,-0.2 2,-0.5 -0.990 53.5-141.4-161.3 149.2 6.9 35.7 35.4 68 67 A V E -bd 5 110A 0 41,-3.0 43,-2.9 -2,-0.3 2,-0.4 -0.975 28.3-166.4-110.5 130.5 8.6 33.1 33.3 69 68 A A E -bd 6 111A 0 -64,-2.9 -62,-3.1 -2,-0.5 2,-0.4 -0.972 9.4-158.9-124.2 134.4 7.8 33.3 29.6 70 69 A F E -bd 7 112A 0 41,-3.0 43,-3.4 -2,-0.4 2,-0.6 -0.941 19.5-134.0-114.6 131.8 8.5 30.7 26.9 71 70 A G S S+ 0 0 0 -64,-2.3 2,-0.3 -2,-0.4 48,-0.2 0.033 82.5 56.1 -81.6 29.4 8.6 31.8 23.2 72 71 A W S S- 0 0 20 -2,-0.6 2,-1.8 42,-0.1 41,-0.3 -0.980 84.8-117.1-144.5 152.9 6.4 29.1 21.8 73 72 A D > + 0 0 54 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.613 46.8 170.0 -83.5 77.4 2.9 28.0 22.5 74 73 A L H > + 0 0 0 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.851 68.2 55.3 -64.5 -39.4 4.3 24.6 23.6 75 74 A P H > S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.945 108.9 49.6 -59.3 -42.9 1.0 23.2 25.0 76 75 A A H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.897 109.8 51.1 -61.5 -40.3 -0.7 23.9 21.7 77 76 A M H X>S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 5,-0.5 0.904 112.3 46.4 -64.3 -40.6 2.1 22.1 19.9 78 77 A Y H X5S+ 0 0 18 -4,-2.5 6,-2.5 3,-0.2 4,-1.8 0.916 114.6 46.6 -66.3 -43.0 1.8 19.1 22.1 79 78 A R H <5S+ 0 0 155 -4,-2.8 4,-0.4 4,-0.2 -2,-0.2 0.895 119.6 39.8 -67.4 -38.4 -2.0 19.0 21.8 80 79 A E H <5S+ 0 0 103 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.901 132.1 19.2 -78.9 -41.9 -1.9 19.4 18.1 81 80 A R H <5S+ 0 0 24 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.700 129.4 38.0-107.2 -22.3 1.0 17.2 17.1 82 81 A L S < - 0 0 56 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.413 42.9-100.8 -70.8 165.4 1.2 21.0 34.8 89 88 A D H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 126.8 52.8 -56.4 -38.1 2.9 24.5 34.9 90 89 A S H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 109.4 46.9 -66.1 -40.7 5.0 23.2 37.8 91 90 A E H > S+ 0 0 98 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.865 112.5 50.4 -68.3 -35.4 6.2 20.2 35.8 92 91 A A H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.6 0.928 110.6 49.7 -67.0 -44.0 6.9 22.4 32.8 93 92 A L H 3X S+ 0 0 1 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.889 104.9 57.6 -60.0 -41.1 8.9 24.7 35.1 94 93 A D H 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 5,-0.2 0.794 113.1 41.4 -59.6 -28.2 10.8 21.7 36.5 95 94 A I H << S+ 0 0 51 -4,-1.0 -2,-0.2 -3,-0.6 -49,-0.2 0.857 119.0 42.9 -86.2 -40.3 11.9 21.0 33.0 96 95 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.871 133.0 20.6 -71.6 -38.0 12.6 24.6 31.9 97 96 A L S < S- 0 0 2 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.696 87.9-146.5-136.8 75.7 14.3 25.5 35.1 98 97 A P >> - 0 0 31 0, 0.0 4,-2.9 0, 0.0 3,-1.6 -0.148 14.7-129.2 -52.7 135.6 15.5 22.3 36.8 99 98 A R T 34 S+ 0 0 108 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 0.747 104.4 65.7 -63.9 -24.9 15.4 22.6 40.6 100 99 A D T 34 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.839 118.9 25.8 -65.8 -25.7 19.0 21.5 41.1 101 100 A V T <4 S+ 0 0 61 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.744 130.7 41.6-102.1 -29.7 20.0 24.6 39.2 102 101 A F S < S- 0 0 4 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.697 73.5-167.1-124.7 77.0 17.1 26.8 40.0 103 102 A P + 0 0 92 0, 0.0 -41,-0.6 0, 0.0 -40,-0.3 -0.358 15.3 177.3 -65.3 145.1 15.9 26.4 43.6 104 103 A R - 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