==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-FEB-05 1YT8 . COMPND 2 MOLECULE: THIOSULFATE SULFURTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.KUMARAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH CEN . 525 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 4 4 4 2 1 2 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 5 2 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 PARALLEL BRIDGES PER LADDER . 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 6 A I 0 0 102 0, 0.0 86,-0.2 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 112.1 30.0 20.3 3.8 2 7 A A E -a 87 0A 54 84,-1.9 86,-2.3 1,-0.0 2,-0.4 -0.142 360.0-114.4 -88.8-173.4 32.9 19.8 6.3 3 8 A V E -a 88 0A 87 84,-0.3 2,-0.4 59,-0.0 86,-0.2 -0.994 24.7-172.7-128.3 131.9 33.3 17.4 9.2 4 9 A R E -a 89 0A 41 84,-2.3 86,-2.7 -2,-0.4 2,-0.1 -0.970 12.6-145.3-126.2 141.7 33.5 18.3 12.9 5 10 A T > - 0 0 43 -2,-0.4 4,-2.2 84,-0.2 5,-0.2 -0.443 32.8 -98.7-102.0 174.2 34.3 16.0 15.8 6 11 A F H > S+ 0 0 18 1,-0.2 4,-2.9 84,-0.2 5,-0.2 0.914 126.0 53.4 -54.0 -44.6 33.3 15.5 19.4 7 12 A H H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 105.2 52.3 -62.4 -36.6 36.4 17.5 20.3 8 13 A D H > S+ 0 0 73 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.928 113.8 43.9 -64.9 -45.8 35.5 20.4 18.0 9 14 A I H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 113.2 50.5 -65.3 -45.6 32.1 20.7 19.6 10 15 A R H X S+ 0 0 77 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.895 109.5 51.6 -60.5 -40.8 33.5 20.2 23.2 11 16 A A H X S+ 0 0 44 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.923 111.3 47.1 -62.6 -43.8 36.1 23.0 22.6 12 17 A A H X>S+ 0 0 12 -4,-2.0 5,-2.4 1,-0.2 4,-0.9 0.899 111.0 51.7 -65.7 -39.9 33.4 25.4 21.3 13 18 A L H <5S+ 0 0 12 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.901 111.2 47.3 -63.2 -41.4 31.1 24.6 24.3 14 19 A L H <5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.9 43.9 -68.3 -36.1 33.9 25.3 26.8 15 20 A A H <5S- 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.577 109.6-129.0 -82.3 -11.4 34.8 28.5 25.0 16 21 A R T <5 + 0 0 176 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.854 49.3 160.6 63.3 38.5 31.1 29.3 24.8 17 22 A R < - 0 0 141 -5,-2.4 -1,-0.2 -6,-0.1 301,-0.1 -0.694 50.0 -92.2 -87.4 142.6 31.3 30.0 21.1 18 23 A E + 0 0 15 -2,-0.3 2,-0.3 299,-0.3 299,-0.2 -0.251 59.2 155.2 -57.8 137.8 27.9 29.9 19.2 19 24 A L B -E 316 0B 7 297,-1.5 297,-1.5 40,-0.1 2,-0.5 -0.981 35.2-145.6-160.2 154.4 27.1 26.5 17.7 20 25 A A E -b 61 0A 0 40,-2.2 42,-2.9 -2,-0.3 2,-0.8 -0.960 11.7-170.8-129.2 110.1 24.1 24.5 16.7 21 26 A L E -b 62 0A 3 16,-0.5 18,-3.0 -2,-0.5 2,-0.5 -0.898 17.2-167.5-102.1 104.7 24.4 20.7 17.2 22 27 A L E -bc 63 39A 0 40,-2.1 42,-1.9 -2,-0.8 2,-0.8 -0.853 20.6-156.9-107.2 123.9 21.3 19.3 15.4 23 28 A D E -bc 64 40A 0 16,-2.6 18,-2.0 -2,-0.5 42,-0.2 -0.839 11.9-170.8 -90.5 113.0 20.0 15.7 15.7 24 29 A V + 0 0 0 40,-2.1 19,-2.8 -2,-0.8 20,-0.3 0.380 49.5 104.1 -90.9 5.6 18.1 15.3 12.5 25 30 A R S S- 0 0 12 39,-0.4 16,-0.1 17,-0.2 -2,-0.1 -0.240 86.2 -81.4 -74.7 172.7 16.5 11.9 13.3 26 31 A E > - 0 0 6 16,-0.1 4,-1.8 1,-0.1 -1,-0.2 -0.271 48.6-100.7 -69.1 165.7 12.8 11.8 14.4 27 32 A E H > S+ 0 0 17 456,-0.5 4,-2.8 1,-0.2 456,-0.2 0.862 115.0 57.1 -60.3 -41.5 12.0 12.6 18.0 28 33 A D H 4 S+ 0 0 49 454,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.941 111.2 41.4 -60.9 -47.4 11.6 9.1 19.4 29 34 A P H >> S+ 0 0 26 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.904 113.7 54.9 -66.9 -33.7 15.1 7.9 18.3 30 35 A F H >< S+ 0 0 2 -4,-1.8 3,-1.1 1,-0.3 -2,-0.2 0.937 103.2 57.1 -58.2 -46.3 16.5 11.3 19.5 31 36 A A T 3< S+ 0 0 0 -4,-2.8 75,-3.4 1,-0.2 -1,-0.3 0.589 98.4 61.3 -63.7 -11.7 15.0 10.7 22.9 32 37 A Q T <4 S- 0 0 89 -3,-1.2 -1,-0.2 -4,-0.5 2,-0.2 0.779 123.5 -10.1 -86.4 -27.2 16.8 7.4 23.3 33 38 A A S << S+ 0 0 18 -3,-1.1 -1,-0.3 -4,-0.8 72,-0.2 -0.779 71.9 139.4-174.2 126.3 20.3 8.9 23.2 34 39 A H B -F 104 0C 2 70,-1.6 70,-2.7 -2,-0.2 -4,-0.0 -0.979 51.6 -85.6-165.6 154.5 21.8 12.3 22.3 35 40 A P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 68,-0.2 -0.310 48.9-106.6 -62.9 152.3 24.5 14.8 23.5 36 41 A L T 3 S+ 0 0 2 66,-0.4 73,-0.1 1,-0.3 67,-0.1 0.858 116.8 33.1 -46.8 -48.6 23.5 17.2 26.3 37 42 A F T 3 S+ 0 0 24 72,-0.1 -16,-0.5 73,-0.1 2,-0.4 0.235 86.0 123.9 -99.6 15.7 23.2 20.3 24.1 38 43 A A < - 0 0 3 -3,-1.7 2,-0.4 -18,-0.1 -16,-0.2 -0.607 51.3-148.3 -76.2 130.0 22.1 18.6 20.9 39 44 A A E -c 22 0A 1 -18,-3.0 -16,-2.6 -2,-0.4 2,-0.7 -0.813 13.0-125.7 -99.2 141.0 18.8 20.1 19.7 40 45 A N E +c 23 0A 10 -2,-0.4 -16,-0.2 -18,-0.2 -18,-0.1 -0.786 39.0 158.3 -93.2 116.3 16.4 17.9 17.8 41 46 A L - 0 0 0 -18,-2.0 5,-0.1 -2,-0.7 -15,-0.1 -0.758 34.6-141.4-135.0 85.5 15.3 19.2 14.4 42 47 A P >> - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.162 15.8-126.1 -48.6 133.4 14.0 16.3 12.4 43 48 A L G >4 S+ 0 0 7 -19,-2.8 3,-1.3 1,-0.3 4,-0.4 0.871 108.8 71.4 -48.7 -36.8 14.9 16.3 8.8 44 49 A S G 34 S+ 0 0 9 -20,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.772 114.8 19.4 -52.0 -32.8 11.2 15.9 8.2 45 50 A R G X> S+ 0 0 67 -3,-2.2 4,-0.9 1,-0.1 3,-0.8 0.109 86.1 122.6-127.7 22.9 10.5 19.5 9.4 46 51 A L H XX S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.5 3,-1.0 0.908 75.9 49.0 -49.7 -53.1 13.9 21.1 9.0 47 52 A E H 34 S+ 0 0 15 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.748 105.2 59.5 -63.4 -25.3 12.8 23.9 6.6 48 53 A L H <4 S+ 0 0 34 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.706 121.7 18.6 -78.1 -20.3 9.9 24.9 8.9 49 54 A E H XX S+ 0 0 61 -3,-1.0 4,-2.6 -4,-0.9 3,-1.2 0.605 96.0 90.1-125.7 -17.1 12.0 25.7 11.9 50 55 A I H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -3,-0.1 0.867 87.3 53.3 -53.8 -43.4 15.6 26.3 10.9 51 56 A H H 34 S+ 0 0 16 -4,-0.4 -1,-0.3 313,-0.3 314,-0.1 0.745 116.0 40.8 -67.2 -20.8 15.3 30.1 10.3 52 57 A A H <4 S+ 0 0 16 -3,-1.2 -2,-0.2 312,-0.2 -1,-0.2 0.849 121.2 39.3 -92.2 -40.5 13.8 30.6 13.8 53 58 A R H < S+ 0 0 8 -4,-2.6 261,-0.5 1,-0.3 262,-0.4 0.759 133.0 23.6 -81.7 -25.9 16.0 28.2 15.8 54 59 A V S < S+ 0 0 0 -4,-2.6 -1,-0.3 -5,-0.3 5,-0.1 -0.578 71.6 161.5-138.8 70.8 19.2 29.1 13.9 55 60 A P + 0 0 45 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.816 51.7 86.4 -62.1 -36.2 18.7 32.6 12.4 56 61 A R > - 0 0 37 1,-0.2 3,-1.9 2,-0.1 221,-0.1 -0.586 68.1-154.3 -72.8 112.3 22.4 33.4 11.8 57 62 A R T 3 S+ 0 0 106 -2,-0.7 27,-1.7 1,-0.3 28,-0.6 0.723 92.3 49.3 -60.8 -23.2 23.2 32.0 8.4 58 63 A D T 3 S+ 0 0 76 25,-0.2 -1,-0.3 26,-0.2 -2,-0.1 0.114 78.3 132.1-104.6 22.8 26.9 31.6 9.3 59 64 A T S < S- 0 0 0 -3,-1.9 2,-0.9 -5,-0.1 26,-0.4 -0.506 72.1-105.2 -70.6 137.9 26.4 29.9 12.6 60 65 A P - 0 0 34 0, 0.0 -40,-2.2 0, 0.0 2,-0.5 -0.546 47.5-170.4 -68.3 106.4 28.6 26.8 12.9 61 66 A I E -bd 20 86A 0 24,-2.9 26,-2.1 -2,-0.9 2,-0.5 -0.874 12.9-174.7-104.7 131.1 26.0 24.0 12.4 62 67 A T E -bd 21 87A 2 -42,-2.9 -40,-2.1 -2,-0.5 2,-0.2 -0.970 8.5-167.5-126.0 114.0 26.9 20.4 12.9 63 68 A V E +bd 22 88A 0 24,-2.5 26,-2.2 -2,-0.5 2,-0.3 -0.665 11.2 168.4 -99.6 156.2 24.2 17.8 12.0 64 69 A Y E +b 23 0A 2 -42,-1.9 -40,-2.1 -2,-0.2 -39,-0.4 -0.993 16.5 172.1-160.8 162.6 24.1 14.1 12.9 65 70 A D - 0 0 11 -2,-0.3 28,-2.3 24,-0.2 29,-0.2 -0.732 50.4 -92.2-150.2-164.0 22.1 10.9 13.0 66 71 A D S S- 0 0 66 -2,-0.2 26,-0.1 26,-0.2 -2,-0.0 -0.163 83.9 -64.3-117.2 41.3 23.1 7.3 13.8 67 72 A G S S+ 0 0 69 0, 0.0 25,-0.0 0, 0.0 24,-0.0 0.423 97.6 123.6 98.3 0.9 23.8 6.1 10.3 68 73 A E S S- 0 0 99 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.650 80.5-115.4 -68.8 -15.6 20.4 6.4 8.7 69 74 A G S > S+ 0 0 39 4,-0.0 4,-0.5 3,-0.0 -1,-0.1 0.646 86.1 115.7 88.2 15.5 21.7 8.7 6.0 70 75 A L H > + 0 0 20 2,-0.1 4,-2.4 3,-0.1 3,-0.2 0.847 63.0 63.6 -83.2 -38.7 19.6 11.6 7.1 71 76 A A H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 100.0 49.6 -54.9 -52.0 22.6 13.8 8.1 72 77 A P H > S+ 0 0 68 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.873 112.6 48.7 -58.8 -34.7 24.1 14.2 4.6 73 78 A V H X S+ 0 0 57 -4,-0.5 4,-2.3 -3,-0.2 -2,-0.2 0.917 111.5 49.6 -69.0 -43.2 20.7 15.2 3.2 74 79 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.920 108.9 52.9 -60.9 -44.2 20.1 17.7 6.0 75 80 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.898 110.2 47.7 -58.8 -43.1 23.6 19.2 5.4 76 81 A Q H X S+ 0 0 94 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.913 110.7 49.8 -65.8 -45.2 22.8 19.7 1.7 77 82 A R H X S+ 0 0 54 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.877 109.8 52.5 -63.5 -35.4 19.4 21.3 2.2 78 83 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.909 108.2 50.5 -67.4 -40.1 20.9 23.7 4.8 79 84 A H H ><5S+ 0 0 108 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.948 110.8 49.0 -61.4 -45.4 23.6 24.7 2.2 80 85 A D H 3<5S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.710 105.7 58.5 -65.7 -20.8 20.9 25.3 -0.3 81 86 A L T 3<5S- 0 0 41 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.508 128.5 -95.5 -86.4 -4.4 18.9 27.4 2.2 82 87 A G T < 5S+ 0 0 44 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.473 73.9 145.5 107.5 1.7 21.9 29.7 2.6 83 88 A Y < - 0 0 2 -5,-2.4 -1,-0.3 -6,-0.1 3,-0.3 -0.650 27.0-169.1 -78.7 120.8 23.8 28.3 5.6 84 89 A S S S+ 0 0 88 -27,-1.7 2,-0.2 -2,-0.6 -26,-0.2 0.497 71.8 50.2 -88.8 -8.4 27.5 28.9 5.1 85 90 A D S S+ 0 0 53 -28,-0.6 -24,-2.9 -26,-0.4 2,-0.4 -0.588 70.5 149.6-133.5 73.4 29.1 26.8 7.8 86 91 A V E + d 0 61A 10 -3,-0.3 -84,-1.9 -2,-0.2 2,-0.3 -0.857 13.7 168.3-109.8 140.5 27.6 23.3 7.8 87 92 A A E -ad 2 62A 0 -26,-2.1 -24,-2.5 -2,-0.4 2,-0.4 -0.960 31.3-121.7-145.6 162.2 29.3 20.1 8.9 88 93 A L E -ad 3 63A 49 -86,-2.3 -84,-2.3 -2,-0.3 2,-0.5 -0.838 36.3-111.8-103.3 142.8 28.6 16.5 9.7 89 94 A L E > -a 4 0A 8 -26,-2.2 3,-2.5 -2,-0.4 -84,-0.2 -0.644 41.0-106.4 -76.1 125.1 29.5 15.1 13.1 90 95 A D T 3 S- 0 0 94 -86,-2.7 -84,-0.2 -2,-0.5 -1,-0.1 -0.309 100.5 -3.4 -55.7 118.0 32.4 12.6 12.7 91 96 A G T >> S- 0 0 53 -2,-0.1 4,-1.3 4,-0.1 3,-0.6 0.460 102.9-123.3 78.5 0.3 30.9 9.1 13.1 92 97 A G H <> S- 0 0 9 -3,-2.5 4,-1.7 1,-0.2 3,-0.4 -0.246 72.5 -18.9 61.2-150.2 27.5 10.5 14.0 93 98 A L H 3> S+ 0 0 4 -28,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.900 143.5 52.1 -55.8 -44.2 26.0 9.5 17.3 94 99 A S H <> S+ 0 0 44 -3,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.835 104.8 57.2 -63.0 -32.1 28.4 6.5 17.6 95 100 A G H X S+ 0 0 14 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.908 106.8 48.2 -64.7 -41.2 31.3 8.9 17.0 96 101 A W H <>S+ 0 0 6 -4,-1.7 5,-2.4 2,-0.2 4,-0.2 0.937 114.2 45.9 -63.5 -47.6 30.3 11.0 20.0 97 102 A R H ><5S+ 0 0 109 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.936 111.5 51.5 -60.7 -48.9 30.0 7.9 22.2 98 103 A N H 3<5S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.8 58.3 -62.2 -26.7 33.3 6.4 21.0 99 104 A A T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.484 125.7-100.7 -82.3 -2.2 35.1 9.6 21.7 100 105 A G T < 5 + 0 0 63 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.522 69.1 156.7 95.8 7.2 34.0 9.4 25.4 101 106 A G < - 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