==== 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 08-DEC-05 2FAW . COMPND 2 MOLECULE: GLUTAMINE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR R.WINTJENS,H.BELRHALI,B.CLANTIN,M.AZARKAN,C.BOMPARD,D.BAEYEN . 500 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 67 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 0 2 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 5 1 20 2 0 0 2 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 2 6 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 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 5 A R 0 0 154 0, 0.0 182,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.8 17.4 27.8 47.4 2 6 A V E -a 183 0A 12 232,-0.4 232,-4.4 180,-0.2 2,-0.4 -0.991 360.0-164.5-129.4 138.1 15.1 24.9 47.0 3 7 A Y E -aB 184 233A 24 180,-3.5 182,-3.4 -2,-0.4 2,-0.3 -0.922 9.8-158.3-123.5 146.1 11.8 24.6 48.7 4 8 A I E -aB 185 232A 78 228,-3.1 228,-2.9 -2,-0.4 2,-0.4 -0.694 26.1-122.4-108.0 172.4 9.4 21.9 49.3 5 9 A V E - B 0 231A 5 180,-0.6 2,-0.5 -2,-0.3 226,-0.2 -0.937 12.0-156.3-123.5 144.2 5.9 22.5 50.0 6 10 A E E - B 0 230A 87 224,-3.1 224,-2.5 -2,-0.4 2,-0.6 -0.944 26.0-127.1-108.1 131.5 3.6 21.7 52.7 7 11 A V E + B 0 229A 37 -2,-0.5 222,-0.3 222,-0.2 3,-0.1 -0.703 28.3 177.3 -78.4 122.4 0.0 21.6 51.9 8 12 A L E S- 0 0 68 220,-3.4 2,-0.3 -2,-0.6 -1,-0.2 0.760 70.4 -0.8 -89.7 -36.3 -1.7 23.8 54.4 9 13 A N E - B 0 228A 80 219,-1.5 219,-3.3 -3,-0.1 2,-0.4 -0.989 60.7-144.7-154.0 145.8 -5.1 23.3 52.9 10 14 A E E - B 0 227A 71 -2,-0.3 217,-0.2 217,-0.2 215,-0.0 -0.914 19.3-172.9-108.3 143.0 -6.6 21.5 50.0 11 15 A F E - B 0 226A 8 215,-3.3 215,-3.2 -2,-0.4 38,-0.2 -0.963 33.1 -96.8-130.1 153.8 -9.4 23.0 48.2 12 16 A P E - B 0 225A 65 0, 0.0 2,-0.4 0, 0.0 213,-0.3 -0.371 39.2-171.3 -67.4 140.9 -11.6 21.6 45.5 13 17 A H - 0 0 6 211,-2.4 38,-0.1 -2,-0.1 37,-0.1 -0.991 39.1 -97.3-131.5 142.7 -10.5 22.4 42.1 14 18 A D > - 0 0 43 -2,-0.4 3,-2.3 36,-0.3 208,-0.3 -0.446 31.7-151.0 -59.4 114.0 -12.5 21.6 39.1 15 19 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 210,-0.1 0.556 96.2 54.6 -72.5 -3.7 -10.8 18.4 38.0 16 20 A Y T 3 S+ 0 0 156 207,-0.1 2,-0.8 208,-0.1 -2,-0.1 0.394 80.8 107.2-103.0 2.8 -11.8 19.3 34.5 17 21 A A < - 0 0 0 -3,-2.3 205,-3.3 206,-0.3 2,-2.0 -0.707 61.2-153.7 -83.5 114.2 -10.2 22.7 34.6 18 22 A F - 0 0 18 -2,-0.8 17,-3.0 17,-0.5 203,-0.2 -0.593 27.2-145.6 -84.7 78.4 -7.1 22.6 32.5 19 23 A T E +H 34 0B 0 -2,-2.0 15,-0.3 201,-0.4 202,-0.2 -0.222 44.0 149.4 -61.0 122.7 -5.6 25.3 34.5 20 24 A Q E S+ 0 0 3 13,-3.5 2,-0.4 1,-0.4 47,-0.2 0.434 70.3 32.9-125.3 -10.0 -3.5 27.6 32.6 21 25 A G E -H 33 0B 0 12,-2.1 12,-2.8 45,-0.3 2,-0.4 -0.979 62.4-178.8-149.4 134.0 -4.0 30.7 34.5 22 26 A L E +H 32 0B 0 45,-0.5 2,-0.4 -2,-0.4 185,-0.3 -0.994 5.0 174.4-142.3 131.8 -4.6 31.1 38.1 23 27 A V E -H 31 0B 4 8,-3.1 8,-2.5 -2,-0.4 2,-0.6 -0.976 23.3-147.5-135.2 139.3 -5.1 34.3 39.9 24 28 A Y E +H 30 0B 14 -2,-0.4 6,-0.3 185,-0.3 185,-0.2 -0.969 21.5 174.2-106.1 127.3 -6.0 35.1 43.4 25 29 A A - 0 0 13 4,-3.4 2,-0.3 -2,-0.6 -1,-0.2 0.844 48.1 -71.9 -93.1 -81.5 -8.1 38.2 43.5 26 30 A E S > S+ 0 0 40 3,-0.4 3,-1.3 1,-0.1 -1,-0.3 -0.961 102.2 36.5-167.3 164.2 -9.3 38.7 47.0 27 31 A N T 3 S- 0 0 123 -2,-0.3 20,-0.1 1,-0.3 3,-0.1 0.880 130.5 -53.5 50.5 47.5 -11.6 37.2 49.6 28 32 A D T 3 S+ 0 0 46 1,-0.2 19,-3.5 18,-0.1 2,-0.6 0.785 103.6 136.7 61.4 31.6 -11.0 33.7 48.5 29 33 A T E < - I 0 46B 17 -3,-1.3 -4,-3.4 17,-0.2 -3,-0.4 -0.959 30.9-174.8-113.3 124.5 -11.9 34.5 44.9 30 34 A L E -HI 24 45B 3 15,-3.7 15,-3.4 -2,-0.6 2,-0.4 -0.776 14.9-147.9-107.1 159.4 -9.7 33.1 42.3 31 35 A F E -HI 23 44B 0 -8,-2.5 -8,-3.1 -2,-0.3 2,-0.4 -0.975 19.9-171.8-122.6 146.5 -9.7 33.6 38.7 32 36 A E E -HI 22 43B 0 11,-2.6 11,-3.1 -2,-0.4 2,-0.5 -0.988 18.8-155.7-138.3 143.3 -8.7 30.9 36.5 33 37 A S E -HI 21 42B 0 -12,-2.8 -13,-3.5 -2,-0.4 -12,-2.1 -0.982 19.8-162.1-114.8 131.3 -8.0 30.5 32.9 34 38 A T E -HI 19 41B 1 7,-2.7 7,-1.3 -2,-0.5 30,-0.7 -0.864 3.1-149.9-114.6 149.1 -8.5 27.0 31.7 35 39 A G + 0 0 1 -17,-3.0 -17,-0.5 -2,-0.4 30,-0.1 -0.183 43.9 96.3 -99.6-161.7 -7.2 25.7 28.5 36 40 A L S >> S- 0 0 38 28,-0.2 3,-2.3 -2,-0.1 4,-0.9 0.539 78.1 -87.4 80.5 131.6 -8.2 23.1 26.1 37 41 A Y T 34 S+ 0 0 112 1,-0.3 23,-0.2 2,-0.2 24,-0.1 -0.509 118.4 17.4 -66.3 128.1 -10.1 23.8 23.0 38 42 A G T 34 S+ 0 0 23 24,-0.5 -1,-0.3 21,-0.3 22,-0.1 0.288 126.7 58.3 94.1 -6.3 -13.7 23.8 23.7 39 43 A R T <4 + 0 0 99 -3,-2.3 -21,-0.2 23,-0.3 -2,-0.2 0.310 68.7 125.3-136.5 6.5 -13.0 24.1 27.4 40 44 A S < + 0 0 1 -4,-0.9 18,-2.7 22,-0.4 2,-0.3 -0.451 33.1 152.7 -75.5 142.5 -11.1 27.2 27.7 41 45 A S E -IJ 34 57B 2 -7,-1.3 -7,-2.7 16,-0.3 2,-0.5 -0.974 45.6-130.0-158.1 160.7 -12.6 29.6 30.1 42 46 A V E -IJ 33 56B 0 14,-2.2 14,-3.7 -2,-0.3 2,-0.4 -0.988 41.2-172.6-116.6 135.4 -11.8 32.4 32.4 43 47 A R E -IJ 32 55B 20 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.5 -0.958 31.9-143.2-133.4 142.7 -13.5 31.7 35.6 44 48 A Q E -IJ 31 54B 35 10,-3.4 9,-3.3 -2,-0.4 10,-1.7 -0.942 36.1-169.3 -96.9 131.7 -14.1 33.3 38.8 45 49 A V E -IJ 30 52B 2 -15,-3.4 -15,-3.7 -2,-0.5 2,-0.6 -0.967 25.8-126.6-131.7 136.2 -13.7 30.6 41.3 46 50 A A E > -I 29 0B 12 5,-3.1 4,-2.3 -2,-0.4 5,-0.4 -0.697 20.5-146.8 -78.3 123.8 -14.5 30.4 44.9 47 51 A L T 4 S+ 0 0 1 -19,-3.5 -1,-0.2 -2,-0.6 179,-0.1 0.935 91.6 54.1 -55.5 -47.9 -11.3 29.3 46.6 48 52 A Q T 4 S+ 0 0 96 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.823 127.1 16.7 -64.6 -33.5 -13.1 27.3 49.3 49 53 A T T 4 S- 0 0 79 -3,-0.3 -1,-0.2 -38,-0.2 -2,-0.2 0.486 92.2-126.3-115.5 -13.4 -15.2 25.1 47.1 50 54 A G < + 0 0 7 -4,-2.3 -36,-0.3 1,-0.3 2,-0.2 0.625 55.0 161.5 69.2 12.0 -13.5 25.5 43.8 51 55 A K - 0 0 143 -5,-0.4 -5,-3.1 1,-0.1 2,-0.7 -0.468 45.0-125.3 -70.0 133.8 -16.9 26.5 42.6 52 56 A V E +J 45 0B 46 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.695 32.3 177.4 -78.2 116.2 -16.9 28.3 39.4 53 57 A E E + 0 0 95 -9,-3.3 2,-0.3 -2,-0.7 -8,-0.2 0.668 68.9 9.6 -95.6 -26.7 -18.8 31.5 40.3 54 58 A N E -J 44 0B 50 -10,-1.7 -10,-3.4 -3,-0.1 2,-0.4 -0.968 69.7-171.2-153.5 143.3 -18.5 33.1 37.0 55 59 A I E -J 43 0B 81 -2,-0.3 2,-0.7 -12,-0.3 -12,-0.3 -0.999 19.3-160.3-143.4 137.4 -17.2 31.8 33.8 56 60 A H E -J 42 0B 50 -14,-3.7 -14,-2.2 -2,-0.4 2,-0.7 -0.982 23.8-149.9-108.4 111.4 -16.4 33.2 30.5 57 61 A K E -J 41 0B 127 -2,-0.7 -16,-0.3 -16,-0.2 3,-0.1 -0.764 19.1-139.6 -84.0 120.2 -16.5 30.3 28.2 58 62 A M - 0 0 4 -18,-2.7 -18,-0.1 -2,-0.7 -20,-0.1 -0.373 29.4 -80.9 -76.3 161.8 -14.0 31.1 25.5 59 63 A D > - 0 0 95 1,-0.1 3,-2.5 -2,-0.1 -21,-0.3 -0.313 42.1-116.3 -54.7 143.1 -14.5 30.4 22.0 60 64 A D T 3 S+ 0 0 99 1,-0.3 -21,-0.2 -23,-0.2 -1,-0.1 0.700 112.9 66.6 -55.4 -20.9 -13.7 26.8 21.2 61 65 A S T 3 S+ 0 0 63 -24,-0.1 2,-0.3 -23,-0.1 -1,-0.3 0.585 90.8 81.2 -81.0 -10.2 -10.9 28.0 19.0 62 66 A Y < - 0 0 54 -3,-2.5 2,-0.6 -26,-0.1 -24,-0.5 -0.719 62.0-156.1-101.9 151.9 -9.0 29.3 22.0 63 67 A F - 0 0 14 16,-0.3 16,-3.2 -2,-0.3 -28,-0.2 -0.963 29.9-132.3-123.4 104.8 -6.9 27.5 24.4 64 68 A G E +K 78 0C 0 -30,-0.7 14,-0.2 -2,-0.6 -28,-0.2 -0.275 35.9 166.8 -62.0 139.9 -7.0 29.6 27.5 65 69 A E E + 0 0 4 12,-2.6 -45,-0.3 1,-0.4 42,-0.2 -0.160 40.3 3.4-126.4-134.8 -3.6 30.2 28.9 66 70 A G E - 0 0 0 40,-3.3 11,-2.0 52,-0.2 -1,-0.4 -0.024 57.9-171.3 -58.9 153.7 -2.1 32.5 31.5 67 71 A L E +K 76 0C 0 41,-0.5 -45,-0.5 9,-0.2 2,-0.3 -0.998 9.6 169.4-146.5 138.2 -4.3 34.8 33.4 68 72 A T E -K 75 0C 5 7,-2.4 7,-3.1 -2,-0.4 2,-0.5 -0.965 28.0-127.7-145.5 166.7 -3.5 37.5 35.7 69 73 A L E +K 74 0C 30 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.963 31.3 166.4-120.5 125.3 -5.5 40.2 37.3 70 74 A L E > -K 73 0C 2 3,-3.5 3,-1.8 -2,-0.5 -2,-0.1 -0.986 68.6 -12.4-143.3 125.8 -4.4 43.7 37.0 71 75 A N T 3 S- 0 0 101 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.921 128.3 -53.5 48.3 49.7 -6.3 46.9 37.8 72 76 A E T 3 S+ 0 0 122 1,-0.2 17,-2.0 16,-0.1 2,-0.4 0.609 119.0 109.2 64.6 15.8 -9.6 44.9 38.0 73 77 A K E < -KL 70 88C 66 -3,-1.8 -3,-3.5 15,-0.2 2,-0.5 -0.963 64.2-136.8-123.2 140.9 -9.0 43.4 34.6 74 78 A L E -KL 69 87C 0 13,-3.3 13,-2.8 -2,-0.4 2,-0.5 -0.838 16.3-159.2 -94.4 131.6 -8.1 39.9 33.8 75 79 A Y E -KL 68 86C 8 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.4 -0.939 15.0-179.4-110.5 132.8 -5.4 39.5 31.2 76 80 A Q E -KL 67 85C 0 9,-3.2 9,-3.4 -2,-0.5 2,-0.2 -0.992 14.9-160.3-135.4 138.7 -5.3 36.3 29.6 77 81 A V E - L 0 84C 0 -11,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.643 15.3-144.7-106.8 175.2 -3.2 34.9 26.9 78 82 A V E > -K 64 0C 0 5,-0.8 3,-1.1 3,-0.3 27,-0.7 -0.954 25.1 -88.6-144.4 156.8 -4.0 31.9 24.8 79 83 A W T 3 S+ 0 0 78 -16,-3.2 -16,-0.3 -2,-0.3 3,-0.1 -0.422 102.3 3.8 -79.0 140.2 -2.1 29.2 23.4 80 84 A L T 3 S+ 0 0 17 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.780 112.9 92.8 64.0 29.6 -0.6 29.4 20.0 81 85 A K < - 0 0 68 -3,-1.1 -3,-0.3 2,-0.1 -1,-0.2 -0.964 67.8-145.5-143.4 161.5 -1.6 32.9 19.6 82 86 A N S S+ 0 0 19 -2,-0.3 18,-2.6 206,-0.3 2,-0.2 0.244 72.5 106.7-105.0 8.2 -0.1 36.3 20.3 83 87 A I E - M 0 99C 44 16,-0.2 -5,-0.8 -5,-0.1 2,-0.4 -0.569 51.3-165.4 -86.0 147.9 -3.5 37.6 21.2 84 88 A G E -LM 77 98C 0 14,-3.3 14,-2.3 -2,-0.2 2,-0.4 -0.937 8.9-142.0-126.8 155.6 -4.4 38.3 24.7 85 89 A F E -LM 76 97C 6 -9,-3.4 -9,-3.2 -2,-0.4 2,-0.5 -0.944 5.5-157.5-118.6 142.3 -7.8 38.9 26.1 86 90 A I E -LM 75 96C 0 10,-3.3 9,-1.8 -2,-0.4 10,-1.5 -0.971 13.8-172.9-117.1 135.4 -8.7 41.3 28.8 87 91 A Y E -LM 74 94C 1 -13,-2.8 -13,-3.3 -2,-0.5 2,-0.4 -0.962 32.0-115.4-124.9 143.8 -11.8 40.7 30.8 88 92 A D E > -L 73 0C 32 5,-2.0 4,-2.3 -2,-0.4 5,-0.4 -0.626 30.8-136.3 -69.6 133.2 -13.5 42.8 33.3 89 93 A R T 4 S+ 0 0 23 -17,-2.0 -1,-0.2 -2,-0.4 -16,-0.1 0.782 97.1 58.0 -66.6 -24.4 -13.1 40.7 36.3 90 94 A R T 4 S+ 0 0 179 -18,-0.3 -1,-0.2 1,-0.2 -46,-0.1 0.947 125.3 13.1 -75.1 -46.6 -16.7 41.3 37.3 91 95 A T T 4 S- 0 0 56 2,-0.1 -2,-0.2 -37,-0.1 -1,-0.2 0.514 91.0-130.7-106.2 -10.7 -18.5 40.0 34.3 92 96 A L < + 0 0 1 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.795 52.6 156.7 60.1 27.7 -15.6 38.2 32.6 93 97 A S - 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