==== 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 03-SEP-09 3IXC . COMPND 2 MOLECULE: HEXAPEPTIDE TRANSFERASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 83.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 20 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 15 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 0 0 1 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 95 0, 0.0 4,-2.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.7 40.6 10.0 46.0 2 2 A R T 4 + 0 0 105 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.865 360.0 32.1 -59.0 -39.1 40.9 9.3 42.3 3 3 A E T 4 S+ 0 0 59 1,-0.1 -1,-0.2 20,-0.1 21,-0.0 0.750 119.8 54.4 -86.6 -28.0 41.1 5.5 43.1 4 4 A V T 4 S+ 0 0 11 22,-0.1 23,-3.1 1,-0.1 2,-0.6 0.879 100.6 58.5 -77.1 -42.4 38.9 5.7 46.1 5 5 A L E < S-a 27 0A 52 -4,-2.8 23,-0.2 21,-0.2 -1,-0.1 -0.839 70.5-173.5 -98.3 118.9 35.8 7.4 44.6 6 6 A V E -a 28 0A 51 21,-2.8 23,-3.1 -2,-0.6 2,-0.2 -0.941 17.0-133.6-118.0 128.0 34.3 5.4 41.7 7 7 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.499 17.9-170.3 -75.3 149.1 31.5 6.5 39.4 8 8 A Y B > S-L 11 0B 121 3,-2.5 3,-1.9 -2,-0.2 22,-0.0 -0.962 71.2 -15.6-138.6 126.8 28.6 4.2 38.6 9 9 A A T 3 S- 0 0 91 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.882 129.7 -51.1 49.7 43.8 26.0 5.0 35.9 10 10 A G T 3 S+ 0 0 82 1,-0.2 2,-0.5 19,-0.0 -1,-0.3 0.435 115.1 114.4 81.6 -0.2 27.1 8.6 35.9 11 11 A V B < -L 8 0B 60 -3,-1.9 -3,-2.5 37,-0.1 18,-0.3 -0.902 41.9-173.5-109.2 130.7 26.9 9.1 39.7 12 12 A S - 0 0 68 -2,-0.5 16,-0.1 -5,-0.2 -7,-0.0 -0.869 34.3 -90.1-117.8 154.1 29.9 9.7 41.9 13 13 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.202 27.1-137.3 -63.4 152.4 29.9 9.8 45.7 14 14 A S E -b 32 0A 84 17,-2.6 19,-2.8 2,-0.0 2,-0.5 -0.961 27.8-177.3-109.5 112.6 29.4 13.0 47.7 15 15 A V E -b 33 0A 48 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.951 26.5-125.2-120.3 121.6 31.9 13.2 50.5 16 16 A D > - 0 0 62 17,-2.6 3,-1.8 -2,-0.5 21,-0.0 -0.357 24.3-125.3 -58.5 138.5 32.1 16.0 53.2 17 17 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 18,-0.0 17,-0.1 0.690 109.0 57.8 -62.3 -18.5 35.6 17.5 53.2 18 18 A T T 3 S+ 0 0 55 2,-0.1 -1,-0.3 149,-0.0 2,-0.2 0.485 84.4 103.8 -91.8 -4.6 35.8 16.8 57.0 19 19 A A S < S- 0 0 8 -3,-1.8 2,-0.6 14,-0.2 19,-0.2 -0.545 70.1-131.5 -76.4 141.8 35.3 13.1 56.5 20 20 A F E -m 38 0C 14 17,-2.7 19,-2.8 -2,-0.2 2,-0.5 -0.859 24.3-175.7 -90.7 125.2 38.2 10.7 56.8 21 21 A I E -m 39 0C 37 -2,-0.6 19,-0.2 17,-0.2 -17,-0.1 -0.972 25.3-127.3-122.3 115.8 38.4 8.2 53.9 22 22 A A > - 0 0 0 17,-2.9 3,-2.1 -2,-0.5 20,-0.0 -0.311 24.0-118.6 -59.0 142.6 41.2 5.6 54.1 23 23 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.1 18,-0.0 -20,-0.1 0.666 112.3 45.4 -60.9 -21.0 43.3 5.6 51.0 24 24 A N T 3 S+ 0 0 83 2,-0.1 -1,-0.3 -20,-0.0 2,-0.1 0.238 86.9 112.1-109.1 12.0 42.4 2.0 50.2 25 25 A A < - 0 0 0 -3,-2.1 2,-0.4 14,-0.2 19,-0.2 -0.419 58.5-143.7 -70.7 158.5 38.6 2.3 50.9 26 26 A R E - c 0 44A 92 17,-2.5 19,-2.9 -2,-0.1 2,-0.5 -0.986 17.6-178.9-132.3 121.2 36.3 2.0 47.8 27 27 A I E -ac 5 45A 0 -23,-3.1 -21,-2.8 -2,-0.4 2,-0.4 -0.980 13.3-169.1-124.4 114.8 33.2 4.2 47.6 28 28 A I E -ac 6 46A 21 17,-2.9 19,-2.5 -2,-0.5 2,-0.2 -0.907 37.3 -41.9-118.9 130.4 31.2 3.5 44.5 29 29 A G E S+ c 0 47A 0 -23,-3.1 2,-1.9 -2,-0.4 19,-0.2 -0.357 113.6 23.9 71.1-130.4 28.2 5.4 42.9 30 30 A D E S+ 0 0 73 17,-2.5 22,-2.4 20,-0.2 2,-0.4 -0.508 83.9 131.7 -84.7 78.4 25.3 6.8 44.9 31 31 A V E - c 0 52A 2 -2,-1.9 -17,-2.6 20,-0.2 2,-0.4 -0.995 36.6-163.8-132.4 132.4 26.9 7.3 48.3 32 32 A C E -bc 14 53A 49 20,-2.3 22,-2.7 -2,-0.4 2,-0.5 -0.978 4.2-165.0-120.4 131.6 26.8 10.3 50.6 33 33 A I E -bc 15 54A 6 -19,-2.8 -17,-2.6 -2,-0.4 22,-0.2 -0.968 15.7-142.1-119.0 119.5 29.3 10.7 53.5 34 34 A G > - 0 0 18 20,-2.5 3,-1.7 -2,-0.5 23,-0.1 -0.081 35.4 -59.5 -80.5 174.6 28.6 13.3 56.2 35 35 A K T 3 S+ 0 0 105 1,-0.2 22,-2.5 21,-0.1 23,-0.2 -0.215 117.6 0.9 -50.5 131.8 30.6 15.7 58.3 36 36 A N T 3 S+ 0 0 16 20,-0.2 -1,-0.2 1,-0.2 -17,-0.1 0.578 91.5 145.6 64.0 11.3 33.3 14.0 60.5 37 37 A A < - 0 0 0 -3,-1.7 -17,-2.7 20,-0.2 2,-0.4 -0.338 36.8-148.3 -68.6 161.7 32.5 10.5 59.3 38 38 A S E -mn 20 59C 1 20,-2.6 22,-2.7 -19,-0.2 2,-0.5 -0.977 11.0-168.8-140.3 124.8 35.4 8.0 59.0 39 39 A I E -mn 21 60C 0 -19,-2.8 -17,-2.9 -2,-0.4 -14,-0.2 -0.968 25.5-146.0-116.6 117.2 35.5 5.2 56.5 40 40 A W > - 0 0 5 20,-2.5 3,-1.7 -2,-0.5 23,-0.2 0.017 29.0 -53.7 -94.1-177.5 38.4 2.8 57.3 41 41 A Y T 3 S+ 0 0 92 1,-0.3 22,-2.2 21,-0.1 23,-0.2 -0.269 117.5 1.3 -61.7 133.5 40.9 0.6 55.6 42 42 A G T 3 S+ 0 0 19 1,-0.2 -1,-0.3 20,-0.2 2,-0.2 0.526 89.6 147.7 71.6 7.3 39.6 -1.9 53.1 43 43 A T < - 0 0 0 -3,-1.7 -17,-2.5 20,-0.1 2,-0.5 -0.508 32.8-156.8 -75.1 142.7 35.9 -0.8 53.5 44 44 A V E -cd 26 65A 43 20,-2.5 22,-2.9 -19,-0.2 2,-0.7 -0.979 13.1-176.5-125.1 115.2 33.7 -1.1 50.4 45 45 A L E -cd 27 66A 0 -19,-2.9 -17,-2.9 -2,-0.5 2,-1.0 -0.896 13.3-171.7-109.9 99.2 30.6 1.1 50.1 46 46 A R E +c 28 0A 96 20,-2.8 2,-0.6 -2,-0.7 22,-0.5 -0.754 15.4 169.1-103.1 93.9 29.1 -0.1 46.9 47 47 A G E +c 29 0A 2 -19,-2.5 -17,-2.5 -2,-1.0 5,-0.1 -0.381 37.9 116.9 -99.2 54.3 26.2 2.1 45.9 48 48 A D E S+ 0 0 35 -2,-0.6 -1,-0.2 -19,-0.2 3,-0.1 0.956 82.9 27.3 -83.9 -53.7 25.7 0.8 42.4 49 49 A V E S+ 0 0 110 19,-0.3 2,-0.3 -3,-0.3 -2,-0.1 0.827 136.0 0.8 -80.5 -37.3 22.1 -0.7 42.5 50 50 A D E S- 0 0 24 -4,-0.3 -20,-0.2 18,-0.2 18,-0.1 -0.903 86.6 -82.2-146.6 175.6 20.8 1.6 45.3 51 51 A K E - 0 0 77 -2,-0.3 21,-2.4 -3,-0.1 2,-0.4 -0.433 24.9-154.9 -89.8 154.4 22.0 4.4 47.5 52 52 A I E -ce 31 72A 0 -22,-2.4 -20,-2.3 19,-0.2 2,-0.4 -0.997 8.8-167.6-123.5 129.4 24.0 4.5 50.7 53 53 A E E -ce 32 73A 59 19,-2.6 21,-2.7 -2,-0.4 2,-0.5 -0.973 2.2-171.1-118.6 130.3 23.7 7.3 53.1 54 54 A V E -ce 33 74A 5 -22,-2.7 -20,-2.5 -2,-0.4 21,-0.2 -0.966 18.4-140.4-123.9 115.0 26.2 7.8 56.0 55 55 A G > - 0 0 18 19,-1.9 3,-1.3 20,-0.8 23,-0.2 -0.090 34.4 -67.8 -73.0 167.5 25.4 10.4 58.6 56 56 A E T 3 S+ 0 0 61 1,-0.2 21,-2.6 20,-0.1 -20,-0.2 -0.187 115.1 11.1 -48.6 136.2 27.6 12.9 60.4 57 57 A G T 3 S+ 0 0 1 -22,-2.5 2,-0.3 1,-0.2 -1,-0.2 0.629 90.5 142.3 72.5 16.0 30.1 11.5 62.9 58 58 A T < - 0 0 0 -3,-1.3 -20,-2.6 -23,-0.2 2,-0.4 -0.728 36.8-153.7 -94.0 138.6 29.7 7.9 61.9 59 59 A N E -no 38 79C 1 19,-2.5 21,-2.0 -2,-0.3 2,-0.5 -0.923 7.9-169.8-109.9 134.2 32.6 5.4 61.7 60 60 A I E -no 39 80C 0 -22,-2.7 -20,-2.5 -2,-0.4 21,-0.2 -0.940 29.1-140.4-120.8 106.2 32.5 2.3 59.4 61 61 A Q > - 0 0 14 19,-2.8 3,-1.5 -2,-0.5 23,-0.2 0.010 33.2 -50.3 -80.3 175.8 35.5 0.2 60.5 62 62 A D T 3 S+ 0 0 40 1,-0.2 21,-2.9 20,-0.2 -20,-0.2 0.026 114.5 0.1 -57.5 138.3 38.0 -1.8 58.5 63 63 A N T 3 S+ 0 0 99 -22,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.573 86.6 148.8 65.3 13.7 37.1 -4.3 55.8 64 64 A T < - 0 0 0 -3,-1.5 -20,-2.5 -23,-0.2 2,-0.4 -0.525 34.7-149.8 -72.4 144.9 33.3 -3.7 56.2 65 65 A V E -df 44 85A 53 19,-2.2 21,-2.6 -22,-0.2 2,-0.5 -0.976 10.8-170.8-118.4 130.9 31.2 -4.1 53.1 66 66 A V E +df 45 86A 0 -22,-2.9 -20,-2.8 -2,-0.4 2,-0.3 -0.993 28.1 129.5-122.4 123.9 28.0 -2.2 52.5 67 67 A H 0 0 28 19,-2.5 21,-0.2 -2,-0.5 -20,-0.1 -0.961 360.0 360.0-169.7 154.1 25.8 -3.2 49.5 68 68 A T 0 0 31 -22,-0.5 -19,-0.3 -2,-0.3 -18,-0.2 -0.996 360.0 360.0-133.1 360.0 22.2 -4.0 48.5 69 ! 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 70 73 A G 0 0 89 0, 0.0 18,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 105.0 16.0 -0.9 49.1 71 74 A D - 0 0 52 17,-0.1 2,-0.5 -21,-0.1 35,-0.2 -0.436 360.0-111.0-102.9 179.8 18.8 1.4 50.1 72 75 A T E -e 52 0A 0 -21,-2.4 -19,-2.6 16,-0.2 2,-0.6 -0.971 30.5-174.6-116.0 117.1 21.1 1.6 53.1 73 76 A V E -eg 53 90A 42 16,-2.1 18,-2.8 -2,-0.5 2,-0.5 -0.965 0.8-175.9-118.7 114.8 20.5 4.5 55.5 74 77 A I E -eg 54 91A 3 -21,-2.7 -19,-1.9 -2,-0.6 18,-0.2 -0.960 15.1-146.5-115.5 125.0 23.0 5.0 58.3 75 78 A G > - 0 0 15 16,-2.7 -20,-0.8 -2,-0.5 3,-0.5 0.265 32.3 -59.1 -77.2-158.6 22.3 7.8 60.8 76 79 A K T 3 S+ 0 0 97 1,-0.2 18,-2.4 -22,-0.1 19,-0.2 -0.592 110.2 8.2 -90.7 146.4 24.6 10.1 62.8 77 80 A F T 3 S+ 0 0 37 -21,-2.6 2,-0.3 -2,-0.2 79,-0.3 0.842 86.0 157.8 55.4 38.6 27.2 9.0 65.4 78 81 A V < - 0 0 0 -3,-0.5 -19,-2.5 -22,-0.2 2,-0.5 -0.707 32.7-147.8 -92.2 142.9 26.8 5.3 64.4 79 82 A T E -op 59 96C 2 16,-2.2 18,-3.2 -2,-0.3 2,-0.5 -0.974 13.4-176.1-112.7 120.6 29.6 2.8 65.2 80 83 A I E -op 60 97C 0 -21,-2.0 -19,-2.8 -2,-0.5 18,-0.2 -0.978 22.2-137.9-115.7 116.6 30.1 -0.1 62.7 81 84 A G > - 0 0 4 16,-2.8 3,-0.8 -2,-0.5 19,-0.1 0.014 35.9 -63.5 -68.5 175.1 32.8 -2.5 63.8 82 85 A H T 3 S+ 0 0 71 1,-0.2 18,-2.7 17,-0.1 19,-0.2 -0.233 111.6 6.3 -60.6 145.1 35.4 -4.2 61.7 83 86 A S T 3 S+ 0 0 66 -21,-2.9 -1,-0.2 -22,-0.2 -19,-0.2 0.813 85.0 153.3 57.7 39.3 34.5 -6.6 59.0 84 87 A C < - 0 0 1 -3,-0.8 -19,-2.2 -23,-0.2 2,-0.4 -0.498 37.1-142.0 -85.5 164.7 30.7 -6.2 59.1 85 88 A I E -fh 65 102A 71 16,-2.2 18,-2.8 -21,-0.2 2,-0.5 -0.984 16.9-170.8-128.1 120.9 28.4 -6.8 56.1 86 89 A L E -fh 66 103A 0 -21,-2.6 -19,-2.5 -2,-0.4 2,-0.4 -0.973 3.5-175.8-116.9 126.1 25.5 -4.3 55.8 87 90 A H - 0 0 59 16,-2.5 20,-0.4 -2,-0.5 -19,-0.2 -0.982 61.8 -40.5-130.0 131.1 22.7 -5.0 53.3 88 91 A A S S+ 0 0 9 -2,-0.4 18,-3.0 17,-0.2 2,-0.2 0.773 96.4 139.1 4.6 64.4 19.7 -2.7 52.5 89 92 A C - 0 0 0 16,-0.2 -16,-2.1 17,-0.2 2,-0.4 -0.626 51.4-129.5-116.9 171.9 19.2 -1.8 56.2 90 93 A T E -gi 73 108A 59 17,-2.0 19,-2.9 -18,-0.2 2,-0.5 -0.989 18.4-171.9-126.5 123.3 18.4 1.3 58.3 91 94 A L E -gi 74 109A 2 -18,-2.8 -16,-2.7 -2,-0.4 19,-0.2 -0.964 16.5-142.2-119.0 117.6 20.6 2.2 61.3 92 95 A G > - 0 0 18 17,-2.9 3,-1.9 -2,-0.5 20,-0.2 -0.160 41.8 -65.0 -72.3 168.7 19.3 5.0 63.6 93 96 A N T 3 S+ 0 0 71 1,-0.3 19,-2.5 18,-0.1 -16,-0.2 -0.225 122.4 13.4 -52.9 140.9 21.5 7.6 65.2 94 97 A N T 3 S+ 0 0 32 -18,-2.4 -1,-0.3 17,-0.2 -16,-0.2 0.608 86.3 154.7 64.5 14.2 23.9 6.2 67.8 95 98 A A < - 0 0 1 -3,-1.9 -16,-2.2 -19,-0.2 2,-0.4 -0.426 30.4-152.2 -63.4 149.0 23.3 2.6 66.7 96 99 A F E -pq 79 114C 35 17,-1.9 19,-2.6 -18,-0.2 2,-0.7 -0.977 9.0-166.9-133.5 115.9 26.3 0.3 67.5 97 100 A V E -pq 80 115C 0 -18,-3.2 -16,-2.8 -2,-0.4 19,-0.1 -0.918 23.1-130.3-108.6 111.8 27.0 -2.7 65.3 98 101 A G > - 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