==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-10 3MBR . COMPND 2 MOLECULE: GLUTAMINE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR W.-L.HUANG,Y.-R.WANG,T.-P.KO,C.-Y.CHIA,K.-F.HUANG,A.H.-J.WAN . 236 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 5 2.1 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 . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 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 PARALLEL BRIDGES PER LADDER . 0 1 2 2 5 5 1 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 1 4 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 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 24 X P 0 0 173 0, 0.0 142,-0.0 0, 0.0 141,-0.0 0.000 360.0 360.0 360.0 164.9 61.0 -10.1 14.8 2 25 X V - 0 0 28 1,-0.1 180,-0.1 180,-0.1 179,-0.1 -0.456 360.0-127.7 -70.1 128.0 62.5 -9.2 18.1 3 26 X P - 0 0 63 0, 0.0 180,-2.6 0, 0.0 2,-0.5 -0.325 10.8-121.4 -78.7 158.0 64.9 -6.3 17.7 4 27 X T B -a 183 0A 79 178,-0.2 2,-0.4 180,-0.0 180,-0.2 -0.909 24.4-149.5 -98.5 123.6 68.5 -6.1 18.9 5 28 X Q - 0 0 11 178,-3.1 180,-0.5 -2,-0.5 229,-0.1 -0.766 13.0-130.3 -95.2 135.0 69.1 -3.3 21.3 6 29 X G - 0 0 36 -2,-0.4 226,-2.9 226,-0.2 2,-0.3 -0.234 23.5-174.2 -76.4 172.9 72.6 -1.7 21.4 7 30 X Y E -E 231 0B 56 224,-0.3 2,-0.4 178,-0.1 224,-0.2 -0.969 14.4-142.1-156.2 164.8 74.7 -1.0 24.4 8 31 X R E -E 230 0B 138 222,-2.0 222,-2.6 -2,-0.3 2,-0.6 -0.983 23.5-119.5-131.1 148.2 77.9 0.7 25.5 9 32 X V E -E 229 0B 43 -2,-0.4 220,-0.3 220,-0.2 3,-0.1 -0.762 27.6-179.1 -81.1 117.6 80.5 -0.3 28.0 10 33 X V E - 0 0 49 218,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.890 64.9 -10.6 -77.7 -51.8 80.7 2.5 30.6 11 34 X K E -E 228 0B 94 217,-1.3 217,-2.8 2,-0.0 2,-0.4 -0.989 55.0-137.0-154.9 145.2 83.4 1.1 32.8 12 35 X R E -E 227 0B 139 -2,-0.3 215,-0.2 215,-0.2 213,-0.0 -0.907 23.6-171.9-105.2 139.2 85.4 -2.1 33.3 13 36 X Y E -E 226 0B 5 213,-3.0 213,-2.4 -2,-0.4 37,-0.1 -0.906 31.5 -96.4-125.0 151.1 86.0 -3.2 36.9 14 37 X P E -E 225 0B 67 0, 0.0 2,-0.4 0, 0.0 211,-0.3 -0.426 37.7-167.2 -64.5 143.3 88.3 -6.1 38.1 15 38 X H - 0 0 16 209,-2.1 2,-0.4 -2,-0.1 37,-0.1 -0.991 26.9-110.5-131.9 143.6 86.6 -9.4 38.7 16 39 X D > - 0 0 52 -2,-0.4 3,-2.1 35,-0.3 206,-0.3 -0.546 17.8-147.5 -73.2 124.9 88.2 -12.4 40.6 17 40 X T T 3 S+ 0 0 79 -2,-0.4 -1,-0.1 1,-0.3 208,-0.0 0.530 94.6 67.5 -78.5 1.1 88.9 -15.2 38.2 18 41 X T T 3 S+ 0 0 78 205,-0.1 2,-0.9 2,-0.0 -1,-0.3 0.548 76.1 104.8 -83.0 -6.2 88.2 -17.7 40.9 19 42 X A < - 0 0 0 -3,-2.1 203,-2.9 204,-0.2 2,-1.7 -0.648 53.3-167.7 -84.0 107.6 84.6 -16.7 40.9 20 43 X F - 0 0 61 -2,-0.9 16,-2.6 201,-0.2 201,-0.2 -0.593 31.1-143.6 -89.1 74.4 82.5 -19.4 39.2 21 44 X T E +H 35 0C 0 -2,-1.7 14,-0.3 199,-0.3 200,-0.3 -0.086 37.3 165.2 -51.6 130.6 79.5 -16.9 39.1 22 45 X E E S- 0 0 31 12,-2.8 2,-0.2 1,-0.5 13,-0.2 0.334 70.1 -13.9-121.0 -2.7 76.0 -18.4 39.6 23 46 X G E -H 34 0C 0 11,-0.8 11,-2.0 44,-0.2 -1,-0.5 -0.859 59.5-158.9 171.1 157.6 74.1 -15.2 40.3 24 47 X L E +H 33 0C 1 183,-0.3 183,-0.4 129,-0.3 2,-0.3 -0.994 11.1 168.7-153.3 143.1 74.7 -11.5 41.1 25 48 X F E -H 32 0C 9 7,-2.2 7,-2.6 -2,-0.3 2,-0.4 -0.962 24.3-131.3-147.5 169.2 72.9 -8.5 42.6 26 49 X Y E +H 31 0C 26 183,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.954 25.6 170.2-122.4 139.7 73.8 -5.1 43.8 27 50 X L E > -H 30 0C 32 3,-3.3 3,-2.1 -2,-0.4 183,-0.1 -0.919 62.6 -20.0-153.5 125.6 72.8 -3.6 47.1 28 51 X R T 3 S- 0 0 169 -2,-0.3 3,-0.1 1,-0.3 182,-0.0 0.858 128.3 -43.4 49.8 45.6 73.8 -0.4 49.0 29 52 X G T 3 S+ 0 0 32 1,-0.2 19,-0.6 18,-0.0 2,-0.3 0.359 120.9 92.2 87.8 -1.5 77.0 -0.0 47.0 30 53 X H E < -HI 27 47C 50 -3,-2.1 -3,-3.3 17,-0.1 2,-0.3 -0.852 65.2-130.1-123.8 154.0 78.2 -3.6 47.1 31 54 X L E -HI 26 46C 5 15,-2.4 15,-3.2 -2,-0.3 2,-0.4 -0.751 13.5-155.7 -92.2 150.1 77.9 -6.6 44.8 32 55 X Y E -HI 25 45C 11 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.998 16.7-174.0-124.2 132.4 76.7 -10.0 46.1 33 56 X E E -HI 24 44C 3 11,-2.5 11,-2.9 -2,-0.4 2,-0.3 -0.994 18.9-147.0-135.6 127.6 77.8 -12.9 44.1 34 57 X S E -HI 23 43C 0 -11,-2.0 -12,-2.8 -2,-0.4 -11,-0.8 -0.742 16.4-160.0 -86.6 138.2 77.0 -16.7 44.3 35 58 X T E -HI 21 42C 9 7,-2.6 7,-1.8 -2,-0.3 2,-0.5 -0.998 12.2-142.0-127.8 134.6 79.9 -19.0 43.2 36 59 X G + 0 0 5 -16,-2.6 2,-0.2 -2,-0.4 5,-0.1 -0.833 43.3 117.8-115.3 118.1 79.0 -22.5 42.2 37 60 X E > - 0 0 99 -2,-0.5 3,-1.5 26,-0.1 28,-0.3 -0.777 50.2-139.6-161.5 139.0 80.7 -25.7 42.7 38 61 X T T 3 S+ 0 0 85 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.916 108.3 56.7 -64.4 -29.0 79.4 -28.7 44.7 39 62 X G T 3 S- 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.325 131.3 -2.8 -83.0 4.5 83.0 -29.0 46.0 40 63 X R S < S+ 0 0 178 -3,-1.5 2,-0.4 23,-0.1 -1,-0.3 -0.344 75.3 174.2 168.7 111.2 83.2 -25.4 47.4 41 64 X S + 0 0 7 18,-0.3 18,-2.2 -3,-0.2 2,-0.3 -0.982 7.6 171.8-131.8 142.7 80.3 -23.0 47.0 42 65 X S E -IJ 35 58C 0 -7,-1.8 -7,-2.6 -2,-0.4 2,-0.4 -0.913 34.0-133.4-146.7 164.8 80.0 -19.6 48.4 43 66 X V E -IJ 34 57C 0 14,-2.6 14,-2.2 -2,-0.3 2,-0.4 -0.998 34.3-163.4-119.4 128.1 78.1 -16.3 48.6 44 67 X R E -IJ 33 56C 8 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.6 -0.911 20.2-149.2-118.6 138.8 80.5 -13.3 48.4 45 68 X K E -IJ 32 55C 43 10,-3.0 9,-3.3 -2,-0.4 10,-1.3 -0.954 33.8-165.9 -99.8 124.8 80.0 -9.7 49.3 46 69 X V E -IJ 31 53C 7 -15,-3.2 -15,-2.4 -2,-0.6 2,-0.5 -0.900 25.6-125.6-126.9 134.8 82.3 -7.8 46.9 47 70 X D E > -I 30 0C 43 5,-2.7 4,-2.5 -2,-0.4 5,-0.3 -0.676 23.2-147.8 -73.0 120.4 83.6 -4.3 46.6 48 71 X L T 4 S+ 0 0 6 -19,-0.6 -1,-0.2 -2,-0.5 178,-0.1 0.923 90.9 48.7 -55.1 -49.3 82.7 -3.0 43.2 49 72 X E T 4 S+ 0 0 95 1,-0.2 -1,-0.2 -36,-0.1 -2,-0.0 0.833 126.6 23.4 -70.2 -29.6 85.7 -0.9 42.5 50 73 X T T 4 S- 0 0 51 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.596 90.2-131.4-111.0 -18.2 88.4 -3.4 43.5 51 74 X G < + 0 0 10 -4,-2.5 -35,-0.3 1,-0.3 2,-0.2 0.563 57.8 146.6 73.6 2.8 86.6 -6.8 43.0 52 75 X R - 0 0 179 -5,-0.3 -5,-2.7 1,-0.1 2,-0.5 -0.512 54.3-113.7 -77.4 145.6 87.9 -7.7 46.5 53 76 X I E +J 46 0C 55 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.636 31.2 178.2 -79.4 122.5 85.8 -10.0 48.8 54 77 X L E S- 0 0 90 -9,-3.3 2,-0.3 -2,-0.5 -8,-0.2 0.738 70.2 -4.4 -91.7 -32.7 84.6 -8.2 51.9 55 78 X Q E -J 45 0C 57 -10,-1.3 -10,-3.0 2,-0.0 -1,-0.4 -0.975 65.7-171.5-157.4 153.1 82.7 -11.1 53.4 56 79 X R E -J 44 0C 84 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.998 9.5-160.2-153.1 153.8 81.7 -14.6 52.4 57 80 X A E -J 43 0C 10 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.4 -0.967 21.8-127.8-129.4 145.8 79.6 -17.5 53.5 58 81 X E E -J 42 0C 93 -2,-0.4 -16,-0.3 -16,-0.2 -2,-0.0 -0.815 28.9-117.9 -90.6 134.7 79.9 -21.2 52.6 59 82 X V - 0 0 5 -18,-2.2 -18,-0.3 -2,-0.4 6,-0.0 -0.464 45.0 -87.3 -70.0 137.8 76.8 -22.9 51.2 60 83 X P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.296 68.4 -82.1 -49.6 119.2 75.6 -25.8 53.4 61 84 X P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.313 108.3 22.8 -60.1 145.5 77.5 -29.0 52.2 62 85 X P T 3 S+ 0 0 89 0, 0.0 -22,-0.1 0, 0.0 2,-0.0 -0.821 102.0 101.8 -93.8 26.0 77.0 -31.0 49.9 63 86 X Y < - 0 0 38 -3,-1.8 2,-0.5 -22,-0.1 -26,-0.1 -0.325 59.6-141.5 -78.6 161.9 75.0 -28.4 48.0 64 87 X F - 0 0 26 -28,-0.1 16,-2.3 -3,-0.1 18,-0.3 -0.977 27.9-129.5-116.2 117.9 76.1 -26.3 45.1 65 88 X G E +K 79 0D 0 -2,-0.5 14,-0.3 -30,-0.4 2,-0.1 -0.370 29.4 177.8 -67.8 147.9 74.7 -22.8 45.3 66 89 X A E - 0 0 3 12,-2.8 -44,-0.2 1,-0.4 41,-0.2 -0.176 45.3 -4.0-122.6-140.1 72.9 -21.3 42.4 67 90 X G E - 0 0 0 39,-1.6 11,-2.4 51,-0.1 -1,-0.4 -0.066 59.8-161.5 -62.7 161.4 71.1 -17.9 41.9 68 91 X I E +K 77 0D 2 40,-0.3 40,-0.3 9,-0.2 2,-0.3 -0.950 11.7 178.5-141.2 155.6 70.6 -15.3 44.7 69 92 X V E -K 76 0D 5 7,-1.8 7,-2.8 -2,-0.3 2,-0.4 -0.983 25.6-122.4-152.5 152.9 68.5 -12.2 45.5 70 93 X A E +K 75 0D 20 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.829 23.9 179.2 -94.1 145.0 68.1 -9.7 48.3 71 94 X W E > -K 74 0D 22 3,-2.8 3,-2.7 -2,-0.4 19,-0.1 -0.919 60.9 -59.5-143.1 108.5 64.7 -9.2 50.0 72 95 X R T 3 S- 0 0 183 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.330 123.2 -12.4 55.9-119.1 64.6 -6.7 52.8 73 96 X D T 3 S+ 0 0 91 -3,-0.1 17,-2.7 -2,-0.1 18,-0.5 0.253 124.5 87.1 -96.7 9.3 67.2 -7.9 55.5 74 97 X R E < -KL 71 89D 54 -3,-2.7 -3,-2.8 15,-0.2 2,-0.5 -0.816 60.5-150.5-115.4 153.5 67.5 -11.4 53.8 75 98 X L E -KL 70 88D 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.4 -0.986 20.9-160.3-117.1 121.0 69.6 -13.1 51.1 76 99 X I E -KL 69 87D 0 -7,-2.8 -7,-1.8 -2,-0.5 2,-0.4 -0.905 10.8-175.5-106.9 134.7 67.7 -15.9 49.4 77 100 X Q E -KL 68 86D 0 9,-2.8 9,-2.3 -2,-0.4 -9,-0.2 -0.982 14.2-150.6-134.1 143.9 69.6 -18.6 47.4 78 101 X L E - 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