==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-APR-07 2PIG . COMPND 2 MOLECULE: PUTATIVE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA PARATYPHI; . AUTHOR J.BENACH,Y.CHEN,S.M.VOROBIEV,J.SEETHARAMAN,C.K.HO,H.JANJUA, . 629 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 82.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 280 44.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 1.0 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 . 80 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 32 40 4 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 . 2 0 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 4 0 2 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 3 A K 0 0 39 0, 0.0 29,-2.7 0, 0.0 30,-0.9 0.000 360.0 360.0 360.0 -51.5 66.2 11.6 52.9 2 4 A Y E -A 29 0A 10 27,-0.3 2,-0.3 28,-0.2 27,-0.2 -0.952 360.0-148.4-146.8 166.1 63.4 12.3 55.3 3 5 A R E -A 28 0A 123 25,-2.2 25,-1.6 -2,-0.3 2,-0.3 -0.925 27.4-111.9-132.7 156.6 59.8 11.4 56.2 4 6 A L E -A 27 0A 41 -2,-0.3 2,-0.2 23,-0.2 23,-0.2 -0.645 35.3-107.2 -89.6 148.0 57.0 13.5 57.8 5 7 A S - 0 0 19 21,-1.8 -1,-0.1 -2,-0.3 21,-0.0 -0.534 22.5-132.5 -73.2 139.1 55.7 12.7 61.3 6 8 A E S S+ 0 0 178 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.840 90.0 71.7 -61.8 -34.9 52.3 11.1 61.2 7 9 A G S S- 0 0 46 19,-0.1 19,-0.3 -3,-0.0 2,-0.2 -0.734 75.8-150.6 -92.0 104.6 50.9 13.4 63.9 8 10 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.455 11.7-157.8 -72.3 138.4 50.4 17.0 62.7 9 11 A R E -P 24 0B 140 15,-2.9 15,-3.2 -2,-0.2 2,-0.5 -0.783 15.4-117.6-115.5 160.7 50.8 19.8 65.2 10 12 A A E -P 23 0B 57 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.857 30.4-175.5-102.6 127.7 49.5 23.4 65.3 11 13 A F E -P 22 0B 25 11,-3.0 11,-2.4 -2,-0.5 2,-0.3 -0.841 12.6-141.6-119.0 157.9 51.9 26.3 65.3 12 14 A T E +P 21 0B 80 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.892 16.5 179.8-120.2 149.4 51.3 30.0 65.6 13 15 A Y E -P 20 0B 37 7,-1.3 7,-2.4 -2,-0.3 2,-0.4 -0.994 28.6-114.9-148.0 148.7 53.0 33.0 63.9 14 16 A Q E +P 19 0B 156 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.721 29.5 176.3 -88.7 127.3 52.7 36.8 64.0 15 17 A V E > S-P 18 0B 17 3,-1.4 3,-0.9 -2,-0.4 4,-0.1 -0.833 73.3 -30.6-134.1 96.6 51.6 38.5 60.7 16 18 A D T 3 S- 0 0 110 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.991 124.8 -44.6 58.3 64.4 51.1 42.2 61.0 17 19 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.365 117.2 121.1 65.3 -8.7 50.0 42.3 64.7 18 20 A E E < -P 15 0B 110 -3,-0.9 -3,-1.4 1,-0.0 2,-0.6 -0.436 63.3-128.9 -85.7 161.8 47.8 39.3 63.9 19 21 A K E -P 14 0B 174 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.954 31.2-172.0-112.0 117.0 47.9 35.8 65.5 20 22 A K E -P 13 0B 80 -7,-2.4 -7,-1.3 -2,-0.6 2,-0.4 -0.768 10.4-161.3-113.0 158.5 48.0 33.0 63.0 21 23 A S E +P 12 0B 85 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.999 11.0 172.2-139.1 140.2 47.8 29.2 63.2 22 24 A V E -P 11 0B 27 -11,-2.4 -11,-3.0 -2,-0.4 2,-0.6 -0.993 31.1-120.0-147.3 149.7 48.8 26.4 60.8 23 25 A L E +P 10 0B 113 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.819 37.4 177.0 -94.1 120.9 49.1 22.6 60.9 24 26 A L E -P 9 0B 1 -15,-3.2 -15,-2.9 -2,-0.6 2,-0.4 -0.934 24.0-145.7-127.7 148.0 52.5 21.3 60.3 25 27 A R E - B 0 45A 97 20,-2.2 20,-2.5 -2,-0.3 2,-0.3 -0.839 31.6-116.8-104.8 146.8 54.1 17.8 60.3 26 28 A Q E - B 0 44A 20 -2,-0.4 -21,-1.8 -19,-0.3 18,-0.2 -0.659 21.2-122.1 -90.4 140.9 57.7 17.6 61.5 27 29 A V E -A 4 0A 0 16,-2.7 15,-2.4 -2,-0.3 2,-0.4 -0.541 28.0-171.9 -78.8 144.1 60.6 16.5 59.3 28 30 A I E -AB 3 41A 21 -25,-1.6 -25,-2.2 13,-0.2 13,-0.2 -0.970 22.9-123.8-142.3 122.4 62.6 13.4 60.4 29 31 A A E -A 2 0A 2 11,-2.4 10,-2.1 -2,-0.4 -27,-0.3 -0.389 22.9-179.9 -65.1 136.2 65.8 12.1 58.8 30 32 A V S S+ 0 0 79 -29,-2.7 2,-0.3 8,-0.2 -28,-0.2 0.361 72.2 27.7-115.3 -1.6 65.6 8.5 57.7 31 33 A T S S- 0 0 69 -30,-0.9 2,-0.3 6,-0.1 8,-0.2 -0.936 89.3 -96.3-149.8 167.3 69.2 8.4 56.4 32 34 A D + 0 0 96 -2,-0.3 2,-0.3 5,-0.1 5,-0.2 -0.695 45.0 161.3 -92.3 143.9 72.5 10.2 57.1 33 35 A F B > -Q 36 0C 28 3,-2.1 3,-3.6 -2,-0.3 2,-0.1 -0.957 55.7 -36.9-161.8 143.0 73.6 13.2 55.1 34 36 A N T 3 S- 0 0 104 -2,-0.3 -2,-0.0 1,-0.3 22,-0.0 -0.173 127.5 -20.3 44.1-104.7 76.1 16.1 55.4 35 37 A D T 3 S+ 0 0 77 21,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.130 116.5 95.7-119.3 20.3 75.8 16.9 59.1 36 38 A V B < -Q 33 0C 6 -3,-3.6 -3,-2.1 4,-0.0 2,-0.2 -0.943 63.2-146.0-116.4 114.5 72.4 15.3 59.9 37 39 A K > - 0 0 137 -2,-0.6 3,-1.7 -5,-0.2 -8,-0.2 -0.527 33.7 -95.2 -77.3 143.3 72.4 11.8 61.4 38 40 A A T 3 S+ 0 0 44 1,-0.2 -8,-0.2 -2,-0.2 -6,-0.1 -0.285 110.5 33.4 -57.0 137.0 69.5 9.5 60.4 39 41 A G T 3 S+ 0 0 56 -10,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.331 85.1 126.7 99.3 -8.1 66.8 9.6 63.0 40 42 A T < - 0 0 51 -3,-1.7 -11,-2.4 1,-0.0 2,-0.3 -0.662 55.1-130.4 -87.7 140.1 67.2 13.3 64.0 41 43 A S E +B 28 0A 36 -2,-0.3 -13,-0.2 -13,-0.2 21,-0.1 -0.711 28.4 176.8 -91.3 138.3 64.1 15.6 64.0 42 44 A G E - 0 0 0 -15,-2.4 18,-0.3 -2,-0.3 -1,-0.1 0.068 37.5 -39.4-111.5-139.0 64.2 18.9 62.3 43 45 A G E - 0 0 0 16,-2.2 -16,-2.7 35,-0.1 2,-0.4 0.025 59.8 -97.2 -80.8-168.9 61.8 21.8 61.6 44 46 A W E +Bc 26 65A 7 20,-2.5 22,-1.9 -18,-0.2 -18,-0.2 -0.927 35.3 174.8-120.8 141.7 58.1 21.7 60.5 45 47 A V E -Bc 25 66A 0 -20,-2.5 -20,-2.2 -2,-0.4 22,-0.2 -0.724 32.0-137.8-130.7 178.2 56.5 22.0 57.1 46 48 A D S S+ 0 0 67 20,-0.7 2,-0.3 -22,-0.2 21,-0.1 0.248 86.9 28.9-123.1 9.8 53.0 21.7 55.6 47 49 A A S > S- 0 0 23 -22,-0.1 3,-0.8 1,-0.0 4,-0.4 -0.977 71.6-123.7-162.4 157.3 53.9 19.8 52.5 48 50 A D T 3 S+ 0 0 80 -2,-0.3 3,-0.3 1,-0.2 5,-0.1 0.655 110.5 61.6 -81.3 -15.2 56.5 17.2 51.4 49 51 A N T 3 S+ 0 0 110 1,-0.2 -1,-0.2 3,-0.1 23,-0.2 0.417 83.9 80.0 -89.7 1.3 57.4 19.5 48.5 50 52 A V S < S+ 0 0 0 -3,-0.8 22,-3.7 1,-0.2 2,-0.5 0.887 99.4 36.3 -73.3 -39.7 58.5 22.2 50.9 51 53 A L B S-r 72 0D 0 -4,-0.4 -1,-0.2 -3,-0.3 22,-0.2 -0.963 92.7-123.2-119.1 119.2 61.9 20.5 51.6 52 54 A S - 0 0 26 20,-2.8 -3,-0.1 -2,-0.5 -2,-0.0 -0.293 2.6-145.0 -62.1 139.7 63.6 18.8 48.7 53 55 A Q S S+ 0 0 58 -5,-0.1 2,-0.2 -52,-0.1 -1,-0.1 0.650 85.9 70.0 -76.7 -16.0 64.5 15.1 49.2 54 56 A Q S S+ 0 0 137 -53,-0.0 3,-0.3 2,-0.0 -2,-0.1 -0.617 89.3 21.0 -99.3 161.7 67.6 15.9 47.1 55 57 A G S S- 0 0 37 -2,-0.2 20,-0.2 1,-0.2 19,-0.1 -0.109 97.2 -75.2 74.8-179.1 70.6 17.9 48.2 56 58 A D S S+ 0 0 48 2,-0.1 19,-0.3 17,-0.0 -1,-0.2 0.433 78.3 138.5 -95.8 -1.6 71.6 18.7 51.7 57 59 A C + 0 0 0 17,-2.6 2,-0.3 -3,-0.3 20,-0.2 -0.097 27.0 161.8 -46.4 140.4 69.0 21.3 52.4 58 60 A W E -e 77 0E 1 18,-1.6 20,-2.5 15,-0.1 2,-0.7 -0.977 43.5-132.0-163.5 149.8 67.5 20.8 55.9 59 61 A I E -e 78 0E 2 -2,-0.3 -16,-2.2 18,-0.2 20,-0.2 -0.915 28.2-178.2-108.1 104.2 65.5 22.6 58.6 60 62 A Y + 0 0 51 18,-2.5 2,-0.2 -2,-0.7 19,-0.2 0.897 51.9 78.4 -72.7 -47.5 67.5 22.0 61.8 61 63 A D > - 0 0 34 17,-0.5 3,-1.3 19,-0.4 -17,-0.2 -0.466 68.4-143.5 -71.4 135.4 65.5 23.7 64.6 62 64 A E T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 -20,-0.1 0.470 103.1 54.1 -74.9 0.2 62.5 21.8 65.9 63 65 A N T 3 S+ 0 0 105 2,-0.0 -1,-0.3 -20,-0.0 2,-0.1 0.433 84.6 110.8-109.7 -3.6 60.8 25.2 66.3 64 66 A A < - 0 0 0 -3,-1.3 -20,-2.5 17,-0.1 2,-0.4 -0.408 51.2-156.3 -74.8 149.4 61.3 26.3 62.7 65 67 A X E +cd 44 83A 12 17,-3.4 19,-3.2 -22,-0.2 2,-0.3 -0.981 18.6 171.7-130.4 139.9 58.4 26.7 60.3 66 68 A A E +cd 45 84A 1 -22,-1.9 -20,-0.7 -2,-0.4 2,-0.2 -0.837 30.2 126.9-147.8 103.0 58.3 26.6 56.5 67 69 A F E > + d 0 85A 5 17,-2.2 19,-0.8 -2,-0.3 3,-0.8 -0.770 29.2 62.2-144.7-172.6 54.8 26.5 54.9 68 70 A A T 3 S- 0 0 35 1,-0.2 19,-1.9 -2,-0.2 18,-0.6 0.920 125.3 -32.4 53.4 57.0 52.4 28.0 52.4 69 71 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.2 17,-0.2 16,-0.1 0.322 94.0 147.8 90.1 -10.7 54.2 27.4 49.1 70 72 A T < - 0 0 0 -3,-0.8 2,-0.5 14,-0.2 -1,-0.3 -0.333 30.2-159.6 -59.9 137.3 57.8 27.8 50.5 71 73 A E E - s 0 89D 82 17,-2.8 19,-2.5 -4,-0.1 2,-0.6 -0.962 9.8-169.7-128.5 119.1 60.3 25.7 48.6 72 74 A I E +rs 51 90D 1 -22,-3.7 -20,-2.8 -2,-0.5 2,-0.2 -0.923 23.5 157.2-107.2 120.3 63.7 24.7 50.1 73 75 A T > + 0 0 63 17,-2.5 3,-1.5 -2,-0.6 -15,-0.1 -0.730 37.5 20.8-132.4-179.6 66.1 23.1 47.6 74 76 A G T 3 S- 0 0 30 1,-0.2 -17,-2.6 -2,-0.2 19,-0.1 -0.318 118.2 -36.5 61.4-137.2 69.8 22.4 46.9 75 77 A N T 3 S+ 0 0 63 17,-2.7 -1,-0.2 -19,-0.3 18,-0.1 0.116 84.5 151.8-109.0 20.8 72.0 22.6 50.0 76 78 A A < - 0 0 0 -3,-1.5 -18,-1.6 14,-0.1 2,-0.5 -0.232 32.4-150.5 -54.7 134.4 70.2 25.5 51.8 77 79 A R E -ef 58 95E 40 17,-2.5 19,-2.4 -20,-0.2 2,-0.7 -0.948 10.2-168.5-114.2 121.1 70.6 25.3 55.6 78 80 A I E -ef 59 96E 1 -20,-2.5 -18,-2.5 -2,-0.5 -17,-0.5 -0.934 18.4-179.4-108.2 110.5 67.8 26.8 57.8 79 81 A T E + f 0 97E 6 17,-2.7 19,-2.7 -2,-0.7 20,-0.2 -0.850 39.7 4.3-115.2 150.2 69.1 26.9 61.4 80 82 A Q S S- 0 0 49 -2,-0.3 -19,-0.4 17,-0.2 2,-0.3 0.068 112.6 -26.6 69.0 172.4 67.5 28.1 64.6 81 83 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.431 79.4 163.6 -60.0 115.9 63.8 29.2 65.0 82 84 A C - 0 0 1 -2,-0.3 -17,-3.4 16,-0.2 2,-0.4 -0.935 30.9-149.4-133.9 156.6 62.8 30.5 61.5 83 85 A T E +de 65 100A 17 16,-1.0 18,-2.0 -2,-0.3 2,-0.5 -0.948 17.6 175.5-131.2 110.4 59.5 31.2 59.8 84 86 A L E +de 66 101A 0 -19,-3.2 -17,-2.2 -2,-0.4 2,-0.3 -0.942 18.9 145.0-120.4 111.7 59.3 30.8 56.0 85 87 A Y E +de 67 102A 18 16,-1.6 18,-1.5 -2,-0.5 19,-0.2 -0.984 32.5 42.6-148.1 158.6 56.0 31.2 54.3 86 88 A N S S- 0 0 58 -19,-0.8 18,-2.9 -18,-0.6 -17,-0.2 0.990 118.9 -38.5 73.7 71.7 54.1 32.5 51.3 87 89 A N S S+ 0 0 93 -19,-1.9 2,-0.2 16,-0.2 -17,-0.2 0.779 85.0 162.9 57.5 35.0 55.9 31.4 48.1 88 90 A V - 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