==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-00 1EO7 . COMPND 2 MOLECULE: PROTEIN (CYCLODEXTRIN GLYCOSYLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR J.C.M.UITDEHAAG,B.W.DIJKSTRA . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 8 1.2 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 . 76 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 2 0 0 0 3 0 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 4 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 PARALLEL BRIDGES PER LADDER . 5 4 4 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 5 1 1 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 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 A 0 0 58 0, 0.0 544,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 136.6 39.3 8.0 -17.6 2 2 A P > - 0 0 58 0, 0.0 3,-2.8 0, 0.0 6,-0.2 -0.391 360.0-104.3 -80.3 160.0 41.0 11.2 -18.7 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.789 122.4 57.4 -50.5 -30.7 42.7 13.6 -16.3 4 4 A T T 3 S+ 0 0 41 395,-0.1 -1,-0.3 9,-0.1 2,-0.0 0.475 80.1 120.7 -82.4 -4.5 39.7 15.9 -16.7 5 5 A S S X S- 0 0 27 -3,-2.8 3,-2.4 1,-0.2 0, 0.0 -0.332 71.9-128.4 -64.5 142.7 37.2 13.3 -15.6 6 6 A V T 3 S+ 0 0 21 1,-0.3 -1,-0.2 120,-0.1 -3,-0.1 0.629 108.0 72.4 -64.2 -10.8 35.1 14.1 -12.6 7 7 A S T 3 + 0 0 60 -5,-0.2 2,-2.0 1,-0.1 -1,-0.3 0.594 67.5 105.3 -78.3 -14.2 36.3 10.7 -11.3 8 8 A N X + 0 0 0 -3,-2.4 3,-0.8 1,-0.2 -1,-0.1 -0.485 40.2 168.7 -71.9 83.2 39.7 12.3 -10.7 9 9 A K T 3 S+ 0 0 48 -2,-2.0 244,-3.0 1,-0.2 -1,-0.2 0.431 73.2 54.8 -76.1 3.2 39.6 12.6 -7.0 10 10 A Q T 3 S+ 0 0 26 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.571 103.0 51.2-112.0 -11.6 43.3 13.4 -6.9 11 11 A N < + 0 0 0 -3,-0.8 -1,-0.2 -8,-0.1 3,-0.1 -0.968 39.4 160.8-135.5 121.4 43.6 16.4 -9.3 12 12 A F > + 0 0 0 -2,-0.4 3,-2.5 1,-0.1 -1,-0.1 0.369 53.1 102.9-113.4 -0.9 41.5 19.6 -9.2 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.774 84.8 48.8 -54.5 -28.3 43.9 21.7 -11.3 14 14 A T T 3 S+ 0 0 1 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.430 105.6 81.3 -90.7 -1.7 41.6 21.3 -14.3 15 15 A D < - 0 0 0 -3,-2.5 2,-0.6 390,-0.1 56,-0.1 -0.682 69.8-140.0-106.0 161.2 38.6 22.2 -12.2 16 16 A V - 0 0 1 -2,-0.2 56,-1.5 54,-0.2 57,-1.1 -0.962 24.9-144.3-120.4 108.6 37.2 25.5 -11.0 17 17 A I E -ab 73 357A 0 339,-2.5 341,-2.8 -2,-0.6 2,-0.6 -0.481 6.0-156.0 -75.6 143.6 36.0 25.3 -7.4 18 18 A Y E -ab 74 358A 0 55,-1.8 57,-2.0 339,-0.2 2,-0.7 -0.927 14.3-141.5-122.1 102.4 32.9 27.1 -6.3 19 19 A Q E -ab 75 359A 5 339,-2.1 341,-2.4 -2,-0.6 2,-0.6 -0.529 20.9-164.1 -69.7 110.6 32.9 27.8 -2.6 20 20 A I E -a 76 0A 2 55,-2.8 2,-1.3 -2,-0.7 57,-0.7 -0.860 18.8-158.7-104.8 120.4 29.4 27.3 -1.4 21 21 A F > - 0 0 4 -2,-0.6 3,-2.7 1,-0.2 4,-0.4 -0.758 21.3-155.4 -94.0 83.9 28.2 28.6 2.0 22 22 A T G >> S+ 0 0 0 -2,-1.3 3,-2.6 1,-0.3 4,-0.8 0.776 84.8 52.0 -24.6 -69.7 25.3 26.2 2.2 23 23 A D G 34 S+ 0 0 2 74,-0.5 29,-2.0 1,-0.3 -1,-0.3 0.723 118.1 40.7 -48.9 -26.3 23.0 28.2 4.6 24 24 A R G <4 S+ 0 0 0 -3,-2.7 354,-1.7 27,-0.1 -1,-0.3 0.322 105.1 66.4-109.1 8.0 23.4 31.2 2.3 25 25 A F T <4 S- 0 0 2 -3,-2.6 2,-0.3 -4,-0.4 -2,-0.1 0.932 110.3 -30.8 -91.0 -67.3 23.2 29.6 -1.1 26 26 A S < - 0 0 29 -4,-0.8 27,-2.9 27,-0.2 2,-1.1 -0.944 40.6-137.9-160.4 136.2 19.7 28.1 -1.6 27 27 A D + 0 0 53 25,-0.3 25,-0.2 -2,-0.3 27,-0.1 -0.743 31.0 163.5 -97.6 89.5 16.9 26.6 0.5 28 28 A G S S+ 0 0 25 -2,-1.1 -1,-0.2 1,-0.3 24,-0.1 0.714 74.5 34.3 -77.3 -23.5 15.7 23.7 -1.6 29 29 A N > + 0 0 48 22,-0.4 3,-1.2 -3,-0.2 -1,-0.3 -0.839 57.4 177.4-138.1 100.1 13.9 22.1 1.4 30 30 A P G > S+ 0 0 78 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.642 75.0 80.2 -74.0 -15.1 12.3 24.5 4.0 31 31 A A G 3 S+ 0 0 93 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.732 96.2 45.7 -64.2 -20.8 11.0 21.4 5.9 32 32 A N G < S+ 0 0 31 -3,-1.2 -1,-0.3 19,-0.1 81,-0.1 0.486 85.5 122.5 -99.0 -5.2 14.5 21.2 7.3 33 33 A N < - 0 0 29 -3,-1.1 6,-0.1 -4,-0.2 79,-0.0 -0.236 67.8-112.4 -55.5 145.3 14.8 24.9 8.1 34 34 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.226 34.0-128.4 -73.1 170.5 15.5 25.6 11.8 35 35 A T > - 0 0 120 5,-0.0 3,-1.3 4,-0.0 14,-0.1 -0.770 51.9 -2.2-122.8 167.2 12.8 27.3 13.9 36 36 A G G > S- 0 0 59 -2,-0.3 3,-2.4 1,-0.2 0, 0.0 -0.149 120.7 -4.9 59.2-148.5 12.4 30.2 16.2 37 37 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.513 127.4 65.3 -56.7 -9.6 15.3 32.4 17.2 38 38 A A G < S+ 0 0 14 -3,-1.3 11,-2.0 10,-0.1 2,-0.3 0.438 99.3 62.4 -94.5 0.2 17.8 30.3 15.4 39 39 A F B < +g 49 0B 56 -3,-2.4 2,-0.2 9,-0.2 11,-0.2 -0.941 46.9 178.4-131.1 150.3 16.3 31.1 12.0 40 40 A D > - 0 0 31 9,-2.8 3,-2.4 -2,-0.3 8,-0.1 -0.691 6.9-171.1-149.0 88.7 15.7 34.1 9.7 41 41 A G T 3 S+ 0 0 35 1,-0.3 9,-0.1 -2,-0.2 -1,-0.1 0.715 90.1 56.4 -52.6 -24.4 14.1 33.2 6.4 42 42 A T T 3 S- 0 0 93 -3,-0.1 -1,-0.3 3,-0.0 8,-0.1 0.675 102.0-135.8 -83.1 -15.8 14.7 36.8 5.2 43 43 A a < + 0 0 13 -3,-2.4 334,-0.4 6,-0.2 -2,-0.1 0.865 63.8 131.4 61.3 39.5 18.5 36.4 5.9 44 44 A T + 0 0 111 1,-0.2 2,-0.8 332,-0.1 6,-0.0 0.892 63.8 56.4 -84.6 -44.9 18.6 39.8 7.5 45 45 A N S > S- 0 0 58 1,-0.1 3,-1.3 4,-0.1 -1,-0.2 -0.795 71.5-164.9 -90.7 109.9 20.5 38.5 10.5 46 46 A L T 3 S+ 0 0 26 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.308 81.5 69.1 -78.6 10.1 23.6 36.8 9.1 47 47 A R T 3 S+ 0 0 90 2,-0.1 48,-2.4 46,-0.1 2,-0.3 0.361 94.8 64.4-107.3 3.2 24.3 35.1 12.4 48 48 A L S < S- 0 0 15 -3,-1.3 -9,-0.2 46,-0.2 -10,-0.1 -0.865 97.8 -82.1-125.0 159.8 21.2 32.8 12.1 49 49 A Y B -g 39 0B 15 -11,-2.0 -9,-2.8 -2,-0.3 -6,-0.2 -0.298 32.4-171.1 -59.1 137.3 20.2 30.0 9.7 50 50 A a - 0 0 1 -27,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.608 51.0 -99.5-105.4 -17.5 18.7 31.3 6.5 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -25,-0.1 -27,-0.1 0.250 65.9 153.4 118.3 -11.2 17.5 28.0 5.2 52 52 A G + 0 0 3 -29,-2.0 -25,-0.3 -25,-0.2 -1,-0.3 -0.270 21.6 162.6 -53.4 128.9 20.3 27.2 2.7 53 53 A D > - 0 0 0 -27,-2.9 4,-1.4 -31,-0.2 -27,-0.2 -0.840 52.9 -92.0-142.6 179.6 20.6 23.4 2.3 54 54 A W H > S+ 0 0 0 58,-2.7 4,-2.6 -2,-0.2 3,-0.2 0.902 120.8 55.9 -62.8 -43.8 21.9 20.5 0.1 55 55 A Q H > S+ 0 0 58 57,-0.5 4,-2.7 1,-0.3 -1,-0.2 0.886 103.0 58.1 -56.8 -36.9 18.7 20.2 -1.9 56 56 A G H > S+ 0 0 0 -30,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.929 107.7 46.3 -57.7 -44.8 19.2 23.9 -2.7 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 -31,-0.3 -2,-0.2 0.919 109.0 54.0 -64.9 -43.9 22.6 22.9 -4.2 58 58 A I H X S+ 0 0 11 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.928 109.7 48.8 -56.1 -44.6 21.2 20.0 -6.1 59 59 A N H X S+ 0 0 59 -4,-2.7 4,-3.2 1,-0.2 6,-0.2 0.922 110.3 50.4 -61.6 -43.5 18.6 22.3 -7.7 60 60 A K H <>S+ 0 0 13 -4,-2.2 5,-1.2 2,-0.2 6,-1.0 0.868 111.7 49.2 -63.4 -34.4 21.4 24.8 -8.5 61 61 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 6,-0.3 0.944 116.0 41.7 -68.5 -47.9 23.3 22.0 -10.1 62 62 A N H 3<5S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 106.2 61.8 -69.5 -36.8 20.4 20.7 -12.1 63 63 A D T 3<5S- 0 0 87 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.348 111.1-117.6 -75.4 11.9 19.1 24.1 -13.2 64 64 A G T <>5S+ 0 0 24 -3,-1.0 4,-2.1 -5,-0.1 5,-0.2 0.570 78.4 125.6 67.2 11.3 22.4 24.7 -15.0 65 65 A Y H >>>S+ 0 0 0 -6,-1.0 5,-2.0 2,-0.2 3,-0.9 0.940 123.6 49.7 -71.0 -48.6 26.8 26.3 -11.8 67 67 A T H >45S+ 0 0 58 -6,-0.3 3,-2.0 -7,-0.3 -2,-0.2 0.942 106.7 55.2 -55.7 -50.6 27.3 24.2 -14.9 68 68 A G H 3<5S+ 0 0 33 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 106.1 54.6 -56.0 -23.1 26.5 27.2 -17.2 69 69 A M H <<5S- 0 0 0 -3,-0.9 326,-0.3 -4,-0.6 -1,-0.3 0.679 119.4-111.0 -85.1 -18.4 29.2 29.1 -15.4 70 70 A G T <<5 + 0 0 16 -3,-2.0 -54,-0.2 -4,-0.8 -3,-0.2 0.558 61.4 157.5 98.5 11.9 31.8 26.4 -16.1 71 71 A V < + 0 0 6 -5,-2.0 -1,-0.3 1,-0.1 -54,-0.1 -0.491 18.3 176.2 -71.3 137.1 32.1 25.2 -12.5 72 72 A T + 0 0 22 -56,-1.5 59,-2.7 1,-0.3 2,-0.3 0.252 63.3 27.4-124.7 8.7 33.4 21.7 -12.1 73 73 A A E -ac 17 131A 0 -57,-1.1 -55,-1.8 57,-0.3 2,-0.3 -0.946 60.9-149.7-169.0 147.5 33.6 21.4 -8.4 74 74 A I E -ac 18 132A 0 57,-2.8 59,-3.1 -2,-0.3 2,-0.6 -0.912 6.5-151.6-124.7 152.0 32.1 22.8 -5.2 75 75 A W E -ac 19 133A 4 -57,-2.0 -55,-2.8 -2,-0.3 2,-0.2 -0.953 26.1-170.3-122.8 106.8 33.4 23.3 -1.8 76 76 A I E -ac 20 134A 0 57,-3.0 59,-1.8 -2,-0.6 151,-0.2 -0.596 27.0 -91.9-101.3 160.7 30.6 23.0 0.7 77 77 A S - 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0 0 53 2,-0.0 -3,-2.9 -45,-0.0 2,-0.2 -0.930 61.0-141.6-118.4 110.0 24.0 38.9 19.9 93 93 A N E -K 88 0D 60 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.2 -0.484 20.4-170.0 -71.9 133.4 22.5 35.6 19.0 94 94 A N E -K 87 0D 20 -7,-1.6 -7,-0.8 -2,-0.2 2,-0.3 -0.978 5.6-167.6-128.3 139.4 24.7 33.2 17.1 95 95 A T > - 0 0 2 -48,-2.4 3,-0.5 -2,-0.4 -9,-0.1 -0.818 36.4-112.6-121.7 161.8 23.9 29.9 15.3 96 96 A A G > S+ 0 0 1 -11,-0.4 3,-2.7 -13,-0.3 5,-0.2 0.013 70.1 132.3 -81.5 30.0 26.0 27.2 13.8 97 97 A Y G 3 + 0 0 4 -50,-0.3 -74,-0.5 1,-0.3 -1,-0.2 0.775 68.6 58.5 -51.1 -30.2 24.8 28.2 10.4 98 98 A H G < S- 0 0 16 -3,-0.5 -20,-0.5 -51,-0.1 -1,-0.3 0.612 103.7-134.8 -77.9 -12.7 28.4 28.1 9.2 99 99 A G S < S+ 0 0 0 -3,-2.7 3,-0.1 -22,-0.1 -2,-0.1 0.559 72.5 117.5 71.1 10.0 28.7 24.5 10.3 100 100 A Y + 0 0 29 1,-0.2 2,-0.8 36,-0.1 40,-0.1 0.513 56.1 77.8 -86.1 -3.2 32.0 25.0 12.0 101 101 A W S S- 0 0 21 -5,-0.2 -18,-2.2 -18,-0.1 41,-0.2 -0.581 71.7-173.9-105.4 69.3 30.7 24.0 15.4 102 102 A A E +H 82 0C 0 -2,-0.8 -20,-0.3 39,-0.5 3,-0.1 -0.237 23.8 172.0 -64.5 150.4 30.6 20.2 15.1 103 103 A R E S+ 0 0 40 -22,-3.3 55,-2.3 1,-0.2 -21,-0.2 0.373 78.8 19.3-133.3 -11.2 29.1 18.0 17.7 104 104 A D E > -Hi 81 158C 0 -23,-1.5 -23,-1.6 53,-0.2 3,-1.1 -0.665 55.4-168.1-167.0 102.1 29.2 14.7 15.9 105 105 A F E 3 S+ 0 0 0 53,-0.6 54,-0.1 1,-0.2 -1,-0.0 0.657 91.0 59.1 -68.5 -16.3 31.4 14.0 12.9 106 106 A K E 3 S+ 0 0 46 52,-0.4 -1,-0.2 -25,-0.1 2,-0.2 0.642 103.7 59.5 -87.8 -14.7 29.6 10.8 12.1 107 107 A K E < S- 0 0 77 -3,-1.1 -26,-1.3 51,-0.2 2,-0.3 -0.594 80.5-120.6-108.5 171.6 26.3 12.6 11.7 108 108 A T E -H 80 0C 16 -28,-0.3 -28,-0.3 -2,-0.2 -27,-0.2 -0.717 31.7 -95.9-110.4 161.8 25.1 15.3 9.3 109 109 A N >> - 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