==== 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 01-SEP-03 1UKT . COMPND 2 MOLECULE: CYCLOMALTODEXTRIN GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR K.HAGA,R.KANAI,O.SAKAMOTO,K.HARATA,K.YAMANE . 1372 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 889 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 . 2 0.1 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 . 127 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 1 2 0 0 6 0 2 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 7 3 6 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 PARALLEL BRIDGES PER LADDER . 12 4 10 10 4 6 0 4 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 . 9 3 7 1 3 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 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 45 0, 0.0 544,-0.1 0, 0.0 542,-0.0 0.000 360.0 360.0 360.0 160.1 54.3 43.8 -15.4 2 2 A P > - 0 0 49 0, 0.0 3,-1.1 0, 0.0 5,-0.1 -0.111 360.0-110.5 -64.0 168.2 52.9 40.7 -13.9 3 3 A D T 3 S+ 0 0 2 1,-0.2 11,-0.2 516,-0.2 8,-0.1 0.727 118.0 55.6 -69.4 -22.5 50.5 40.6 -10.9 4 4 A T T 3 S+ 0 0 40 395,-0.1 -1,-0.2 3,-0.0 395,-0.0 0.479 81.7 122.7 -88.9 -5.3 53.2 39.0 -8.7 5 5 A S X - 0 0 27 -3,-1.1 3,-1.8 1,-0.1 0, 0.0 -0.253 69.7-129.2 -60.9 145.4 55.7 41.9 -9.4 6 6 A V T 3 S+ 0 0 21 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.654 107.1 70.1 -69.0 -16.6 57.1 43.8 -6.5 7 7 A S T 3 S+ 0 0 83 -5,-0.1 2,-1.6 1,-0.1 -1,-0.3 0.575 73.0 100.8 -74.3 -11.6 56.1 47.0 -8.3 8 8 A N < + 0 0 2 -3,-1.8 -1,-0.1 1,-0.2 216,-0.1 -0.609 35.8 152.8 -81.5 88.7 52.5 46.0 -7.6 9 9 A K + 0 0 52 -2,-1.6 244,-2.5 242,-0.2 -1,-0.2 0.643 63.9 66.3 -88.6 -21.2 51.7 48.3 -4.7 10 10 A Q S S+ 0 0 30 242,-0.2 2,-0.4 -3,-0.2 244,-0.1 0.978 106.5 36.8 -65.7 -51.2 48.0 48.4 -5.4 11 11 A N + 0 0 3 494,-0.1 -1,-0.1 1,-0.1 494,-0.1 -0.832 47.6 170.4-113.9 143.9 47.3 44.7 -4.7 12 12 A F > + 0 0 0 -2,-0.4 3,-2.3 306,-0.1 -1,-0.1 0.229 46.7 111.3-127.0 5.7 48.8 42.3 -2.1 13 13 A S T 3 S+ 0 0 1 1,-0.3 -1,-0.1 342,-0.1 341,-0.0 0.840 82.7 52.1 -55.9 -29.3 46.6 39.2 -2.3 14 14 A T T 3 S+ 0 0 5 -11,-0.2 -1,-0.3 341,-0.1 2,-0.2 0.332 101.3 86.2 -88.2 11.0 49.6 37.2 -3.8 15 15 A D < - 0 0 2 -3,-2.3 2,-0.5 383,-0.1 56,-0.1 -0.707 67.4-141.1-113.0 157.7 51.9 38.3 -0.9 16 16 A V - 0 0 2 -2,-0.2 56,-1.9 54,-0.2 2,-0.4 -0.992 24.4-144.3-117.5 122.8 52.6 37.0 2.6 17 17 A I E -a 357 0A 0 339,-2.6 341,-3.4 -2,-0.5 2,-0.7 -0.772 8.0-158.9 -93.9 131.3 53.0 39.8 5.2 18 18 A Y E -ab 358 74A 0 55,-3.1 57,-2.5 -2,-0.4 2,-0.7 -0.923 14.4-149.2-108.5 106.8 55.5 39.6 8.0 19 19 A Q E -ab 359 75A 9 339,-2.9 341,-2.9 -2,-0.7 2,-0.3 -0.730 20.9-173.6 -82.2 116.9 54.5 42.0 10.8 20 20 A I - 0 0 2 55,-2.8 2,-0.9 -2,-0.7 3,-0.1 -0.841 29.8-148.0-115.7 144.1 57.5 43.3 12.7 21 21 A F > - 0 0 11 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 -0.883 23.7-150.0-105.0 91.5 57.9 45.4 15.8 22 22 A T G >> S+ 0 0 0 -2,-0.9 3,-1.4 1,-0.3 4,-0.7 0.807 92.8 52.3 -27.8 -52.2 61.2 47.1 14.7 23 23 A D G 34 S+ 0 0 3 74,-0.4 29,-2.1 1,-0.3 -1,-0.3 0.873 112.9 43.1 -58.9 -42.3 62.3 47.5 18.3 24 24 A R G <4 S+ 0 0 0 -3,-1.5 354,-1.7 27,-0.1 -1,-0.3 0.176 106.3 64.1 -93.9 18.5 61.8 43.8 19.1 25 25 A F T <4 S- 0 0 5 -3,-1.4 2,-0.4 -4,-0.4 353,-0.1 0.828 108.8 -22.4-103.6 -80.4 63.3 42.3 16.0 26 26 A S < - 0 0 27 -4,-0.7 27,-1.9 27,-0.3 2,-1.6 -0.936 42.2-144.4-147.4 123.5 67.0 42.9 15.4 27 27 A D + 0 0 60 -2,-0.4 25,-0.2 25,-0.3 27,-0.1 -0.626 28.5 166.3 -82.0 85.3 69.4 45.6 16.7 28 28 A G + 0 0 24 -2,-1.6 -1,-0.2 1,-0.2 24,-0.1 0.541 69.9 34.9 -77.8 -8.1 71.6 46.0 13.7 29 29 A N - 0 0 54 22,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.914 53.1-179.1-152.0 116.8 73.1 49.2 15.1 30 30 A P S > S+ 0 0 90 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.763 79.3 74.2 -83.3 -29.9 73.8 50.1 18.8 31 31 A A T 3 S+ 0 0 95 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.780 99.7 47.8 -54.9 -28.3 75.2 53.6 18.1 32 32 A N T 3 S+ 0 0 32 79,-0.1 -1,-0.3 19,-0.1 81,-0.1 0.428 85.9 121.0 -94.4 0.9 71.6 54.6 17.4 33 33 A N < - 0 0 25 -3,-2.3 6,-0.1 1,-0.1 79,-0.0 -0.383 69.2-111.9 -68.8 138.2 70.2 53.0 20.6 34 34 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.241 37.3-145.7 -63.1 160.6 68.4 55.2 23.1 35 35 A T > + 0 0 119 4,-0.1 3,-0.6 5,-0.0 2,-0.2 -0.775 49.5 23.9-128.0 169.4 70.2 55.7 26.4 36 36 A G G > S- 0 0 68 -2,-0.2 3,-1.3 1,-0.2 0, 0.0 -0.472 122.5 -16.8 80.0-144.5 69.4 56.1 30.1 37 37 A A G 3 S+ 0 0 63 1,-0.2 -1,-0.2 -2,-0.2 3,-0.0 0.184 130.0 69.7 -83.8 18.5 66.1 54.9 31.6 38 38 A A G < S+ 0 0 14 -3,-0.6 11,-2.1 10,-0.1 2,-0.4 0.466 90.8 70.1-107.7 -11.4 64.7 54.7 28.0 39 39 A F B < +g 49 0B 58 -3,-1.3 11,-0.2 9,-0.2 2,-0.1 -0.877 47.3 174.8-114.7 144.0 66.8 51.8 27.1 40 40 A D > - 0 0 26 9,-2.5 3,-3.3 -2,-0.4 4,-0.2 -0.570 5.4-175.8-144.2 74.1 66.7 48.2 28.2 41 41 A G T 3 S+ 0 0 41 1,-0.3 9,-0.1 2,-0.1 -1,-0.1 0.564 84.9 56.2 -48.2 -14.1 69.2 46.1 26.2 42 42 A S T 3 S- 0 0 65 -3,-0.0 -1,-0.3 3,-0.0 8,-0.1 0.285 100.4-134.4-101.8 6.1 68.1 42.9 27.9 43 43 A a < + 0 0 13 -3,-3.3 334,-0.3 6,-0.2 3,-0.1 0.827 65.9 130.9 37.6 45.0 64.4 43.5 26.9 44 44 A T + 0 0 111 1,-0.2 2,-0.9 -4,-0.2 -1,-0.1 0.821 64.5 51.7 -87.2 -46.9 63.5 42.6 30.4 45 45 A N S > S- 0 0 58 4,-0.1 3,-1.4 1,-0.1 -1,-0.2 -0.889 79.4-159.8 -94.5 104.9 61.2 45.6 30.9 46 46 A L T 3 S+ 0 0 27 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.338 81.8 66.6 -70.4 4.9 59.0 45.3 27.8 47 47 A R T 3 S+ 0 0 87 46,-0.1 48,-2.0 2,-0.1 50,-0.3 0.302 92.7 77.3-107.7 10.5 57.8 48.9 27.8 48 48 A L S < S- 0 0 11 -3,-1.4 2,-0.2 46,-0.2 -9,-0.2 -0.616 95.3 -86.2-113.9 167.5 61.3 50.2 27.1 49 49 A Y B -g 39 0B 18 -11,-2.1 -9,-2.5 -2,-0.2 -6,-0.2 -0.575 32.7-171.4 -72.1 138.4 63.4 50.4 23.9 50 50 A a - 0 0 6 -2,-0.2 -1,-0.2 -11,-0.2 -23,-0.1 0.565 48.2-105.3-105.1 -15.6 65.2 47.1 23.4 51 51 A G + 0 0 2 1,-0.3 -22,-0.3 -19,-0.1 -27,-0.1 0.281 62.5 151.5 115.7 -15.4 67.3 48.5 20.5 52 52 A G + 0 0 2 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.140 19.8 171.7 -50.7 145.8 65.9 47.0 17.3 53 53 A D >> - 0 0 0 -27,-1.9 3,-0.5 -31,-0.2 4,-0.5 -0.871 47.8 -92.5-147.0-179.9 66.4 49.1 14.2 54 54 A W H >> S+ 0 0 0 58,-3.2 4,-2.0 -2,-0.3 3,-1.4 0.875 121.2 59.0 -67.4 -39.6 66.0 49.2 10.4 55 55 A Q H 3> S+ 0 0 55 57,-0.4 4,-1.4 1,-0.3 -1,-0.2 0.770 99.1 63.2 -60.5 -21.6 69.6 48.1 9.9 56 56 A G H <> S+ 0 0 0 -3,-0.5 4,-0.8 -30,-0.3 -1,-0.3 0.765 105.0 42.5 -74.6 -27.9 68.5 45.0 11.9 57 57 A I H < S+ 0 0 1 -4,-1.4 3,-0.6 -3,-0.5 -2,-0.2 0.765 114.1 47.6 -90.4 -36.4 66.7 40.1 4.6 62 62 A N H 3< S+ 0 0 92 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.861 107.8 50.8 -73.6 -43.0 70.4 39.8 3.5 63 63 A D T 3< S- 0 0 96 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 0.126 115.8-112.9 -84.1 20.3 71.3 36.6 5.4 64 64 A G S <> S+ 0 0 28 -3,-0.6 4,-2.0 1,-0.1 -3,-0.1 0.470 80.4 124.6 65.7 8.7 68.2 35.0 3.9 65 65 A Y T 4 S+ 0 0 5 -5,-0.4 4,-0.3 -6,-0.3 -4,-0.2 0.938 83.5 30.5 -62.9 -50.4 66.3 34.5 7.2 66 66 A L T >4>S+ 0 0 0 -6,-2.3 5,-1.3 2,-0.2 3,-0.8 0.932 124.6 45.7 -72.7 -51.3 63.1 36.4 6.0 67 67 A T G >45S+ 0 0 46 -7,-0.4 3,-2.2 1,-0.3 -2,-0.2 0.927 107.9 57.1 -58.8 -47.8 63.4 35.5 2.3 68 68 A G G 3<5S+ 0 0 32 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.709 101.9 59.5 -59.7 -15.7 64.1 31.9 3.0 69 69 A M G < 5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.3 326,-0.3 0.611 119.0-109.6 -87.8 -14.8 60.9 31.8 4.9 70 70 A G T < 5 + 0 0 17 -3,-2.2 -54,-0.2 -4,-0.4 -3,-0.2 0.298 63.0 154.5 103.7 -5.9 58.8 32.8 1.9 71 71 A I < + 0 0 6 -5,-1.3 -1,-0.3 1,-0.1 -54,-0.1 -0.243 21.2 176.3 -61.4 136.5 57.9 36.3 3.0 72 72 A T + 0 0 23 -56,-1.9 59,-0.9 1,-0.3 2,-0.2 -0.007 66.7 33.4-127.6 21.8 57.1 38.9 0.3 73 73 A A E - c 0 131A 0 -57,-0.4 -55,-3.1 57,-0.2 2,-0.4 -0.699 59.9-156.3-178.1 124.5 56.2 41.9 2.4 74 74 A I E -bc 18 132A 0 57,-2.5 59,-2.3 -57,-0.2 2,-0.6 -0.895 7.8-155.6-106.9 140.3 57.2 43.3 5.8 75 75 A W E -bc 19 133A 4 -57,-2.5 -55,-2.8 -2,-0.4 59,-0.2 -0.984 24.9-173.3-117.9 111.6 54.9 45.5 7.8 76 76 A I - 0 0 1 57,-2.3 -55,-0.1 -2,-0.6 2,-0.1 -0.378 25.6 -80.8-103.8 179.0 56.9 47.7 10.1 77 77 A S - 0 0 4 1,-0.2 58,-0.2 57,-0.1 -1,-0.2 -0.351 66.6 -70.3 -74.5 159.4 56.5 50.2 13.0 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.2 58,-0.1 -0.320 41.4-155.1 -52.6 119.1 55.6 53.9 12.4 79 79 A P + 0 0 0 0, 0.0 30,-1.6 0, 0.0 -1,-0.2 0.589 57.0 115.1 -76.1 -6.3 58.8 55.4 10.9 80 80 A V E S-H 108 0C 0 55,-0.2 28,-0.3 28,-0.2 25,-0.2 -0.310 79.3 -94.4 -72.2 141.1 57.9 58.9 12.2 81 81 A E E -H 104 0C 3 26,-2.8 22,-2.7 23,-1.1 23,-1.4 -0.280 47.8-156.1 -54.3 128.0 59.9 60.8 14.8 82 82 A N E -H 102 0C 1 20,-0.2 20,-0.2 21,-0.2 2,-0.2 -0.441 24.7 -85.4-104.8 174.0 58.4 60.2 18.3 83 83 A I - 0 0 2 18,-1.2 13,-0.3 -2,-0.1 -1,-0.1 -0.507 31.9-141.3 -71.7 148.6 58.5 62.0 21.6 84 84 A Y + 0 0 123 -2,-0.2 -1,-0.1 11,-0.1 68,-0.0 0.513 55.9 129.6 -95.0 2.1 61.6 61.2 23.6 85 85 A S - 0 0 22 1,-0.1 2,-0.8 10,-0.1 11,-0.3 -0.136 52.6-146.8 -62.9 142.6 59.8 61.1 27.0 86 86 A V - 0 0 53 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.939 26.5-157.8-108.9 98.2 60.1 58.3 29.5 87 87 A I E -I 94 0D 7 7,-2.6 7,-1.7 -2,-0.8 2,-1.2 -0.725 11.4-150.4 -85.6 128.2 56.6 58.3 31.0 88 88 A N E > -I 93 0D 79 -2,-0.5 2,-1.1 5,-0.3 3,-0.5 -0.528 11.4-168.5 -98.0 71.3 56.2 56.8 34.4 89 89 A Y E > S-I 92 0D 73 -2,-1.2 3,-1.4 3,-0.9 -2,-0.0 -0.444 73.7 -41.2 -64.6 95.9 52.6 55.6 34.3 90 90 A S T 3 S- 0 0 118 -2,-1.1 2,-1.3 1,-0.3 -1,-0.2 0.916 126.2 -27.1 44.9 84.0 52.2 54.9 38.0 91 91 A G T < S+ 0 0 66 -3,-0.5 2,-0.5 1,-0.1 -1,-0.3 -0.227 121.8 94.2 81.6 -46.2 55.5 53.3 39.0 92 92 A V E < -I 89 0D 54 -3,-1.4 -3,-0.9 -2,-1.3 2,-0.1 -0.674 68.9-139.5 -90.0 124.1 56.2 51.9 35.5 93 93 A N E -I 88 0D 51 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.479 24.0-170.1 -74.3 148.9 58.3 53.8 33.1 94 94 A N E -I 87 0D 25 -7,-1.7 -7,-2.6 -2,-0.1 2,-0.3 -0.996 5.6-171.5-143.1 144.0 57.0 53.7 29.5 95 95 A T - 0 0 2 -48,-2.0 3,-0.4 -2,-0.3 2,-0.4 -0.795 39.4-100.9-132.8 171.7 58.5 54.8 26.2 96 96 A A > + 0 0 1 -11,-0.3 3,-1.9 -13,-0.3 5,-0.2 -0.127 68.2 132.9 -84.7 39.2 57.5 55.2 22.5 97 97 A Y T 3 + 0 0 5 -2,-0.4 -74,-0.4 -50,-0.3 -1,-0.2 0.792 68.6 61.8 -60.1 -26.1 59.1 51.9 21.4 98 98 A H T 3 S- 0 0 21 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.417 102.6-129.5 -80.2 -4.9 55.9 51.2 19.6 99 99 A G S < S+ 0 0 0 -3,-1.9 -19,-0.2 -22,-0.1 -2,-0.1 0.369 76.0 114.7 72.9 -6.7 56.1 54.2 17.2 100 100 A L + 0 0 31 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.160 53.7 77.4 -83.2 17.7 52.5 55.3 18.0 101 101 A W S S- 0 0 22 -5,-0.2 -18,-1.2 -21,-0.2 41,-0.2 -0.580 74.6-159.9-125.1 68.9 53.3 58.7 19.7 102 102 A A E +H 82 0C 1 39,-0.6 -20,-0.2 38,-0.3 3,-0.1 -0.045 26.1 168.1 -53.5 146.7 54.1 60.9 16.8 103 103 A R E S+ 0 0 37 -22,-2.7 55,-2.2 1,-0.2 2,-0.2 0.575 77.5 6.7-128.7 -29.8 56.1 64.1 17.2 104 104 A D E > -H 81 0C 0 -23,-1.4 3,-1.7 3,-0.2 -23,-1.1 -0.725 57.0-160.6-162.0 101.8 56.9 65.1 13.6 105 105 A F E 3 S+ 0 0 0 53,-0.4 54,-0.1 1,-0.3 -25,-0.0 0.417 90.8 60.3 -66.2 2.7 55.4 63.1 10.7 106 106 A K E 3 S+ 0 0 24 52,-0.3 2,-0.3 -25,-0.1 -1,-0.3 0.362 99.6 57.0-112.7 2.3 58.1 64.5 8.4 107 107 A K E < S- 0 0 78 -3,-1.7 -26,-2.8 -26,-0.1 -3,-0.2 -0.932 81.7-111.2-133.2 153.9 61.1 63.1 10.1 108 108 A T E -H 80 0C 17 -2,-0.3 -28,-0.2 -28,-0.3 7,-0.1 -0.358 33.8-102.7 -82.1 161.3 62.2 59.6 11.1 109 109 A N >> - 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