==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUN-06 2IWA . COMPND 2 MOLECULE: GLUTAMINE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR T.GUEVARA,N.MALLORQUI-FERNANDEZ,R.GARCIA-CASTELLANOS,G.E.PET . 254 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 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 . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 0 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 1 9 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 3 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 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 23 A R 0 0 173 0, 0.0 2,-0.1 0, 0.0 238,-0.0 0.000 360.0 360.0 360.0 159.1 31.0 33.0 -6.2 2 24 A P - 0 0 86 0, 0.0 2,-1.8 0, 0.0 3,-0.2 -0.351 360.0-122.0 -73.2 154.5 28.3 33.0 -3.6 3 25 A S + 0 0 111 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.635 48.9 170.9 -82.9 76.6 25.5 35.4 -3.3 4 26 A S - 0 0 29 -2,-1.8 -1,-0.2 234,-0.2 3,-0.1 0.807 22.9-161.1 -65.4 -37.9 26.9 36.1 0.1 5 27 A R + 0 0 131 -3,-0.2 182,-2.3 1,-0.2 2,-0.4 0.846 52.2 119.6 54.0 36.4 24.7 39.0 1.0 6 28 A V E -a 187 0A 6 180,-0.2 232,-2.6 232,-0.1 2,-0.4 -0.997 43.8-168.3-131.6 134.6 27.4 39.9 3.6 7 29 A Y E -aB 188 237A 43 180,-2.5 182,-3.1 -2,-0.4 2,-0.2 -0.947 13.1-157.4-127.2 144.7 29.3 43.2 3.6 8 30 A I E - B 0 236A 71 228,-2.6 228,-2.6 -2,-0.4 2,-0.4 -0.663 26.9-121.4-109.4 168.3 32.3 44.7 5.3 9 31 A V E - B 0 235A 9 180,-0.5 2,-0.4 -2,-0.2 226,-0.2 -0.952 12.9-157.0-128.3 138.5 32.8 48.5 5.6 10 32 A E E - B 0 234A 82 224,-2.7 224,-2.3 -2,-0.4 2,-0.6 -0.895 25.6-126.2-103.2 132.8 35.5 51.0 4.6 11 33 A V E + B 0 233A 37 -2,-0.4 222,-0.2 222,-0.2 3,-0.1 -0.733 29.0 175.4 -80.5 120.6 35.7 54.3 6.4 12 34 A L E - 0 0 71 220,-3.2 2,-0.3 -2,-0.6 221,-0.2 0.810 67.8 -3.3 -90.5 -38.7 35.6 57.2 3.8 13 35 A N E - B 0 232A 84 219,-1.3 219,-2.6 2,-0.0 2,-0.4 -0.981 59.7-144.0-152.7 152.6 35.6 60.1 6.3 14 36 A E E - B 0 231A 76 -2,-0.3 217,-0.2 217,-0.2 215,-0.0 -0.966 18.3-176.7-119.4 141.0 35.6 60.6 10.1 15 37 A F E - B 0 230A 14 215,-2.8 215,-2.7 -2,-0.4 38,-0.1 -0.946 33.9 -95.9-132.5 151.7 33.7 63.5 11.8 16 38 A P E - B 0 229A 70 0, 0.0 2,-0.4 0, 0.0 213,-0.3 -0.397 37.7-170.5 -67.7 145.7 33.5 64.5 15.4 17 39 A H - 0 0 10 211,-2.0 38,-0.1 -2,-0.1 37,-0.1 -0.994 36.9 -96.6-133.3 142.3 30.6 63.3 17.4 18 40 A D > - 0 0 44 -2,-0.4 3,-1.9 36,-0.3 208,-0.3 -0.414 30.0-152.3 -56.3 115.4 29.6 64.4 20.9 19 41 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 210,-0.1 0.534 94.6 56.4 -73.7 -5.7 31.2 61.7 23.2 20 42 A Y T 3 S+ 0 0 166 207,-0.1 2,-0.7 208,-0.0 -2,-0.1 0.391 81.6 107.3 -98.9 3.1 28.5 62.4 25.8 21 43 A A < - 0 0 0 -3,-1.9 205,-2.7 206,-0.2 2,-1.6 -0.711 59.3-155.2 -87.1 116.7 25.7 61.7 23.3 22 44 A F - 0 0 24 -2,-0.7 17,-2.4 17,-0.4 203,-0.2 -0.603 27.8-144.6 -89.7 80.0 24.0 58.4 24.0 23 45 A T E +H 38 0B 0 -2,-1.6 15,-0.2 201,-0.3 202,-0.2 -0.210 43.9 148.9 -62.6 125.3 22.8 58.0 20.5 24 46 A Q E + 0 0 3 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.441 69.1 30.0-126.4 -10.3 19.4 56.3 19.9 25 47 A G E -H 37 0B 0 12,-1.7 12,-2.1 45,-0.3 -1,-0.4 -0.980 59.7-177.5-151.3 140.6 18.2 58.0 16.8 26 48 A L E +H 36 0B 0 45,-0.5 2,-0.3 -2,-0.3 185,-0.3 -0.987 4.8 174.2-147.8 131.1 20.0 59.5 13.8 27 49 A V E -H 35 0B 6 8,-2.7 8,-2.2 -2,-0.3 2,-0.5 -0.967 22.8-144.8-136.0 141.5 18.7 61.3 10.7 28 50 A Y E +H 34 0B 20 -2,-0.3 6,-0.2 185,-0.3 187,-0.2 -0.981 23.3 171.7-107.1 128.0 20.3 63.0 7.7 29 51 A A - 0 0 22 4,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.856 47.4 -67.1 -96.5 -80.9 18.2 66.0 6.6 30 52 A E S > S+ 0 0 59 3,-0.5 3,-1.5 1,-0.1 -1,-0.3 -0.950 102.1 34.7-166.0 165.1 20.1 68.1 4.0 31 53 A N T 3 S- 0 0 126 1,-0.3 20,-0.1 -2,-0.3 3,-0.1 0.858 129.6 -54.7 49.1 49.5 23.1 70.4 3.6 32 54 A D T 3 S+ 0 0 49 1,-0.2 19,-3.0 18,-0.1 2,-0.5 0.814 103.4 138.8 55.2 33.9 25.3 68.4 6.0 33 55 A T E < - I 0 50B 18 -3,-1.5 -4,-2.9 17,-0.2 -3,-0.5 -0.953 30.0-174.2-114.2 124.6 22.6 68.8 8.7 34 56 A L E -HI 28 49B 4 15,-3.0 15,-3.0 -2,-0.5 2,-0.4 -0.767 14.7-147.5-108.6 156.9 21.8 65.8 10.9 35 57 A F E -HI 27 48B 0 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.4 -0.976 20.4-172.6-120.6 144.5 19.2 65.2 13.6 36 58 A E E -HI 26 47B 2 11,-2.2 11,-2.7 -2,-0.4 2,-0.4 -0.994 18.0-154.9-140.1 142.6 19.9 63.1 16.6 37 59 A S E -HI 25 46B 0 -12,-2.1 -13,-3.1 -2,-0.4 -12,-1.7 -0.957 19.1-164.8-114.7 132.1 18.0 61.6 19.5 38 60 A T E -HI 23 45B 1 7,-2.3 7,-1.3 -2,-0.4 30,-0.4 -0.886 1.9-152.2-118.9 152.4 19.9 60.8 22.7 39 61 A G + 0 0 1 -17,-2.4 -17,-0.4 -2,-0.3 30,-0.1 -0.186 41.2 100.5-104.0-160.9 19.0 58.7 25.7 40 62 A L S >> S- 0 0 40 28,-0.1 3,-2.1 -2,-0.1 4,-0.7 0.470 78.1 -83.8 83.0 132.7 19.8 58.4 29.4 41 63 A Y T 34 S+ 0 0 116 1,-0.3 23,-0.1 2,-0.2 26,-0.1 -0.527 119.4 13.6 -66.7 124.2 17.6 59.8 32.1 42 64 A G T 34 S+ 0 0 43 24,-0.5 -1,-0.3 -2,-0.3 22,-0.1 0.343 126.1 62.8 92.5 -5.1 18.3 63.5 32.5 43 65 A R T <4 + 0 0 113 -3,-2.1 -21,-0.2 23,-0.2 -2,-0.2 0.269 66.9 125.0-129.8 4.4 20.2 63.6 29.2 44 66 A S < + 0 0 2 -4,-0.7 18,-2.5 22,-0.3 2,-0.3 -0.476 34.4 147.6 -75.6 144.4 17.6 62.6 26.6 45 67 A S E -IJ 38 61B 1 -7,-1.3 -7,-2.3 16,-0.2 2,-0.4 -0.974 46.9-127.2-162.6 164.3 17.3 65.2 23.8 46 68 A V E -IJ 37 60B 0 14,-2.0 14,-2.8 -2,-0.3 2,-0.3 -0.993 39.6-174.3-122.7 135.3 16.6 65.8 20.1 47 69 A R E -IJ 36 59B 22 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.938 31.3-139.7-133.9 147.7 19.3 67.8 18.4 48 70 A Q E -IJ 35 58B 40 10,-2.6 9,-2.5 -2,-0.3 10,-1.3 -0.948 36.4-171.3-100.2 127.7 20.2 69.5 15.1 49 71 A V E -IJ 34 56B 5 -15,-3.0 -15,-3.0 -2,-0.5 2,-0.5 -0.971 25.9-126.3-129.5 138.1 23.8 68.8 14.5 50 72 A A E > -I 33 0B 15 5,-2.5 4,-2.2 -2,-0.4 5,-0.3 -0.697 21.0-145.2 -79.4 124.5 26.3 70.0 11.9 51 73 A L T 4 S+ 0 0 3 -19,-3.0 -1,-0.1 -2,-0.5 179,-0.1 0.898 91.3 51.3 -54.9 -48.4 27.9 67.0 10.1 52 74 A Q T 4 S+ 0 0 102 -20,-0.3 -1,-0.2 1,-0.2 -19,-0.1 0.824 126.6 20.0 -66.0 -33.2 31.4 68.4 9.6 53 75 A T T 4 S- 0 0 82 -3,-0.3 -1,-0.2 -38,-0.1 -2,-0.2 0.523 91.0-127.5-112.5 -15.8 32.0 69.5 13.2 54 76 A G < + 0 0 13 -4,-2.2 -36,-0.3 1,-0.2 2,-0.2 0.597 54.3 159.5 64.7 13.5 29.5 67.5 15.3 55 77 A K - 0 0 133 -5,-0.3 -5,-2.5 1,-0.1 2,-0.8 -0.480 45.0-125.8 -70.2 132.7 28.5 70.9 16.7 56 78 A V E +J 49 0B 48 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.721 30.0 179.0 -79.4 110.5 25.0 70.9 18.3 57 79 A E E + 0 0 89 -9,-2.5 2,-0.3 -2,-0.8 -8,-0.2 0.781 68.7 5.0 -84.8 -31.0 23.2 73.8 16.6 58 80 A N E -J 48 0B 63 -10,-1.3 -10,-2.6 2,-0.0 2,-0.4 -0.971 68.9-168.8-151.8 142.8 19.8 73.4 18.4 59 81 A I E -J 47 0B 62 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -1.000 14.6-162.3-139.5 140.3 18.7 71.1 21.2 60 82 A H E -J 46 0B 53 -14,-2.8 -14,-2.0 -2,-0.4 2,-0.4 -0.985 20.5-150.5-115.4 113.1 15.4 70.2 22.8 61 83 A K E -J 45 0B 154 -2,-0.5 -16,-0.2 -16,-0.2 2,-0.1 -0.715 13.5-136.7 -83.2 133.9 16.0 68.6 26.2 62 84 A M - 0 0 15 -18,-2.5 -18,-0.1 -2,-0.4 -20,-0.1 -0.467 33.0 -82.2 -84.5 162.4 13.4 66.1 27.3 63 85 A D > - 0 0 104 1,-0.1 3,-1.9 -2,-0.1 -21,-0.3 -0.274 45.3-112.9 -55.7 145.6 11.8 65.8 30.7 64 86 A D T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -23,-0.1 -21,-0.1 0.662 111.4 68.6 -59.6 -16.1 14.1 63.8 33.1 65 87 A S T 3 S+ 0 0 66 -24,-0.1 2,-0.3 -23,-0.1 -1,-0.3 0.598 88.1 80.1 -80.6 -11.1 11.6 61.0 33.2 66 88 A Y < - 0 0 57 -3,-1.9 2,-0.6 -26,-0.1 -24,-0.5 -0.717 62.4-151.5-100.8 150.3 12.1 59.9 29.6 67 89 A F - 0 0 24 -2,-0.3 16,-2.4 16,-0.3 -28,-0.2 -0.948 31.1-134.0-114.4 104.4 14.7 57.8 27.9 68 90 A G E +K 82 0C 0 -2,-0.6 14,-0.2 -30,-0.4 -28,-0.1 -0.338 33.1 169.1 -64.7 143.0 14.9 59.1 24.4 69 91 A E E - 0 0 8 12,-2.5 -45,-0.3 1,-0.4 41,-0.1 -0.070 38.4 -0.1-127.6-138.6 15.0 56.4 21.6 70 92 A G E - 0 0 0 40,-1.1 11,-1.8 52,-0.2 -1,-0.4 -0.002 54.8-166.1 -60.7 163.1 14.6 56.3 17.8 71 93 A L E +K 80 0C 0 41,-0.4 -45,-0.5 9,-0.2 2,-0.3 -0.993 10.2 172.2-151.3 138.2 14.0 59.3 15.5 72 94 A T E -K 79 0C 7 7,-2.0 7,-2.5 -2,-0.3 2,-0.5 -0.950 25.3-129.9-143.9 164.8 13.0 59.9 11.9 73 95 A L E +K 78 0C 36 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.977 27.5 168.2-120.3 122.3 12.1 62.8 9.7 74 96 A L E > S-K 77 0C 6 3,-2.8 3,-1.6 -2,-0.5 -2,-0.1 -0.977 71.1 -21.1-137.0 116.6 8.9 62.7 7.6 75 97 A N T 3 S- 0 0 126 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.897 126.9 -47.4 49.6 52.6 7.5 65.9 5.9 76 98 A E T 3 S+ 0 0 89 1,-0.2 17,-2.6 16,-0.1 2,-0.4 0.488 117.4 108.9 75.8 3.5 9.3 68.4 8.1 77 99 A K E < -KL 74 92C 64 -3,-1.6 -3,-2.8 15,-0.2 2,-0.5 -0.946 59.4-145.1-112.6 135.9 8.3 66.6 11.4 78 100 A L E -KL 73 91C 0 13,-3.0 13,-2.6 -2,-0.4 2,-0.4 -0.862 15.5-159.9 -96.3 126.0 10.7 64.6 13.6 79 101 A Y E -KL 72 90C 24 -7,-2.5 -7,-2.0 -2,-0.5 2,-0.4 -0.911 11.8-176.7-108.7 136.8 9.0 61.6 15.2 80 102 A Q E -KL 71 89C 0 9,-2.4 9,-2.4 -2,-0.4 -9,-0.2 -0.990 12.0-158.9-136.3 140.5 10.6 60.1 18.3 81 103 A V E - 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