==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-00 1FP9 . COMPND 2 MOLECULE: 4-ALPHA-GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.C.M.UITDEHAAG,G.J.EUVERINK,B.A.VAN DER VEEN,M.VAN DER . 500 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 3 2 1 0 0 1 1 2 2 3 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 1 A M 0 0 71 0, 0.0 2,-0.5 0, 0.0 356,-0.0 0.000 360.0 360.0 360.0-155.9 18.6 -4.6 25.1 2 2 A E + 0 0 140 2,-0.0 384,-0.0 384,-0.0 0, 0.0 -0.795 360.0 165.2-123.1 91.6 17.6 -3.5 28.6 3 3 A L - 0 0 6 -2,-0.5 3,-0.2 3,-0.0 -1,-0.0 -0.761 37.2-135.8-103.0 84.9 19.9 -0.9 30.2 4 4 A P - 0 0 44 0, 0.0 -2,-0.0 0, 0.0 495,-0.0 -0.109 35.4 -89.4 -44.4 125.3 17.7 0.4 33.1 5 5 A R S S+ 0 0 70 441,-0.1 2,-0.3 438,-0.1 441,-0.2 -0.085 79.6 115.9 -40.3 121.0 17.9 4.1 33.3 6 6 A A E -a 446 0A 0 439,-3.3 441,-1.1 -3,-0.2 2,-0.3 -0.958 56.1-101.4-171.5-175.9 20.8 5.0 35.6 7 7 A F E -a 447 0A 1 33,-0.3 35,-1.7 492,-0.3 36,-0.9 -0.941 27.9-177.0-128.0 150.2 24.2 6.7 35.9 8 8 A G E -ab 448 43A 0 439,-1.3 441,-2.5 -2,-0.3 2,-0.3 -0.835 19.1-119.5-137.1 174.0 27.7 5.3 36.1 9 9 A L E -ab 449 44A 1 34,-1.9 36,-4.4 439,-0.3 2,-0.7 -0.903 9.0-138.7-122.9 151.0 31.3 6.5 36.5 10 10 A L E +ab 450 45A 10 439,-1.9 441,-1.8 -2,-0.3 442,-0.3 -0.885 39.9 146.7-108.3 102.1 34.4 6.3 34.3 11 11 A L - 0 0 1 34,-1.9 -2,-0.1 -2,-0.7 5,-0.1 -0.767 35.3-148.2-141.7 95.9 37.5 5.5 36.4 12 12 A H > - 0 0 11 -2,-0.3 3,-2.7 1,-0.1 4,-0.2 -0.386 28.7-116.7 -63.5 133.1 40.3 3.5 35.0 13 13 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.742 112.5 63.9 -38.3 -37.9 42.1 1.3 37.7 14 14 A T G 3 S+ 0 0 1 1,-0.3 9,-0.7 8,-0.1 463,-0.2 0.850 96.0 58.3 -60.5 -34.7 45.4 3.2 37.2 15 15 A S G < S+ 0 0 2 -3,-2.7 462,-1.4 461,-0.2 -1,-0.3 0.375 81.7 116.4 -77.1 4.7 43.7 6.4 38.4 16 16 A L S < S- 0 0 1 -3,-1.8 2,-0.3 -4,-0.2 13,-0.1 -0.537 76.2-111.8 -75.6 139.2 42.8 4.7 41.7 17 17 A P + 0 0 27 0, 0.0 7,-0.2 0, 0.0 461,-0.1 -0.561 59.1 141.3 -72.0 128.8 44.5 6.2 44.8 18 18 A G - 0 0 15 -2,-0.3 3,-0.5 459,-0.3 4,-0.5 -0.951 53.5 -95.7-168.6 147.4 47.0 3.8 46.1 19 19 A P S S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 68,-0.0 -0.406 99.8 42.7 -68.0 142.3 50.5 3.5 47.6 20 20 A Y S S- 0 0 62 70,-0.1 84,-0.1 1,-0.1 66,-0.0 0.691 122.2 -72.7 96.1 25.7 53.3 2.7 45.2 21 21 A G S S+ 0 0 2 -3,-0.5 75,-0.7 69,-0.2 2,-0.3 0.595 104.4 56.2 71.8 17.4 52.5 5.0 42.3 22 22 A V S S- 0 0 2 -4,-0.5 2,-0.3 73,-0.1 -7,-0.1 -0.989 79.6 -93.9-168.7 163.5 49.5 3.4 40.6 23 23 A G - 0 0 0 -9,-0.7 2,-0.3 -2,-0.3 -5,-0.1 -0.645 42.2-174.0 -85.9 142.7 46.0 2.2 40.9 24 24 A V - 0 0 11 -2,-0.3 48,-0.2 -7,-0.2 5,-0.2 -0.903 43.5-100.7-134.9 163.4 45.5 -1.5 41.7 25 25 A L S S+ 0 0 3 46,-2.6 174,-0.1 -2,-0.3 47,-0.1 0.197 84.8 124.5 -68.8 22.8 42.6 -4.0 41.9 26 26 A G S >> S- 0 0 0 45,-0.1 3,-2.3 -2,-0.1 4,-0.7 -0.068 85.2 -78.8 -75.3-176.6 43.0 -3.5 45.7 27 27 A Q H 3> S+ 0 0 106 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.729 121.8 74.2 -57.3 -31.4 40.4 -2.5 48.2 28 28 A E H 3> S+ 0 0 34 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.775 98.1 51.5 -56.2 -21.6 40.7 1.2 47.2 29 29 A A H <> S+ 0 0 0 -3,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.863 107.7 49.7 -78.2 -38.9 38.8 -0.1 44.2 30 30 A R H X S+ 0 0 73 -4,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.805 108.0 54.7 -68.0 -28.9 36.3 -1.6 46.6 31 31 A D H X S+ 0 0 81 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.923 109.5 46.3 -68.5 -45.0 36.1 1.7 48.4 32 32 A F H X S+ 0 0 9 -4,-1.6 4,-4.3 2,-0.2 -2,-0.2 0.932 110.1 53.1 -62.1 -46.0 35.2 3.3 45.1 33 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.839 111.4 47.0 -58.7 -31.8 32.7 0.6 44.5 34 34 A R H X S+ 0 0 87 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.888 114.0 47.9 -74.3 -39.9 31.3 1.4 47.9 35 35 A F H X S+ 0 0 22 -4,-2.7 4,-3.6 2,-0.2 6,-0.3 0.976 111.1 49.6 -62.0 -57.3 31.4 5.1 46.9 36 36 A L H <>S+ 0 0 0 -4,-4.3 5,-3.4 1,-0.2 4,-0.2 0.952 113.9 46.5 -44.5 -61.9 29.7 4.5 43.6 37 37 A K H ><5S+ 0 0 89 -4,-2.1 3,-2.1 3,-0.3 -1,-0.2 0.912 113.3 48.4 -46.8 -55.2 27.0 2.5 45.3 38 38 A E H 3<5S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.962 108.8 52.2 -51.5 -56.2 26.6 5.1 48.0 39 39 A A T 3<5S- 0 0 0 -4,-3.6 -1,-0.3 1,-0.1 -2,-0.2 0.465 127.0-107.6 -61.1 2.3 26.4 7.8 45.3 40 40 A G T < 5 + 0 0 6 -3,-2.1 -33,-0.3 -5,-0.3 -3,-0.3 0.548 66.6 157.7 81.7 8.7 23.7 5.6 43.9 41 41 A G < + 0 0 1 -5,-3.4 -1,-0.3 -6,-0.3 -33,-0.2 -0.477 22.6 177.8 -71.9 132.7 25.9 4.5 41.0 42 42 A R + 0 0 85 -35,-1.7 167,-3.7 -2,-0.2 2,-0.3 0.564 63.9 53.1-108.1 -14.2 25.1 1.2 39.3 43 43 A Y E -bc 8 209A 2 -36,-0.9 -34,-1.9 165,-0.2 2,-0.4 -0.942 56.4-165.9-126.7 148.1 27.7 1.1 36.6 44 44 A W E -bc 9 210A 2 165,-2.0 167,-4.1 -2,-0.3 2,-0.5 -0.987 11.8-157.5-132.9 121.9 31.5 1.5 36.5 45 45 A Q E +bc 10 211A 0 -36,-4.4 -34,-1.9 -2,-0.4 2,-0.3 -0.875 16.4 167.9-108.2 130.9 33.4 2.2 33.3 46 46 A V - 0 0 0 165,-2.5 -34,-0.1 -2,-0.5 3,-0.1 -0.805 31.6-108.7-129.5 170.1 37.1 1.4 32.7 47 47 A L - 0 0 3 -2,-0.3 166,-0.2 1,-0.2 -1,-0.1 -0.323 62.0 -56.3 -91.7 177.0 39.4 1.2 29.7 48 48 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 166,-0.1 -0.304 47.2-150.1 -55.0 138.5 40.9 -1.9 28.3 49 49 A L + 0 0 10 164,-0.2 19,-2.4 -3,-0.1 22,-0.1 -0.093 51.6 123.6-103.5 34.8 42.8 -3.8 31.0 50 50 A G S S- 0 0 9 8,-0.4 17,-0.2 17,-0.3 18,-0.2 -0.430 71.6 -76.3 -91.4 168.9 45.4 -5.4 28.8 51 51 A P - 0 0 2 0, 0.0 11,-1.0 0, 0.0 2,-0.4 -0.267 48.6-143.0 -61.3 148.6 49.3 -5.2 29.1 52 52 A T B -H 61 0B 17 9,-0.2 9,-0.1 10,-0.1 3,-0.1 -0.958 15.7-171.9-124.8 133.6 50.8 -2.0 27.9 53 53 A G > - 0 0 17 7,-0.6 3,-2.2 -2,-0.4 4,-0.2 -0.021 59.6 -22.2 -96.6-155.4 54.1 -1.3 26.0 54 54 A Y T 3 S+ 0 0 214 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 -0.148 131.8 35.7 -51.5 146.6 55.7 2.0 25.2 55 55 A G T 3 S- 0 0 30 1,-0.2 -1,-0.3 -3,-0.1 417,-0.1 -0.125 101.0-125.6 97.9 -37.0 53.2 4.9 25.3 56 56 A D < + 0 0 39 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.807 55.9 154.1 64.3 32.3 51.4 3.1 28.1 57 57 A S > - 0 0 22 -3,-0.4 3,-1.5 -4,-0.2 -4,-0.3 -0.807 45.6-144.5 -96.8 128.2 48.1 3.2 26.2 58 58 A P T 3 S+ 0 0 6 0, 0.0 -8,-0.4 0, 0.0 3,-0.3 0.474 97.1 62.7 -68.0 0.6 45.5 0.5 27.1 59 59 A Y T 3 S+ 0 0 26 1,-0.2 -10,-0.0 155,-0.1 -7,-0.0 0.570 97.0 53.2-103.0 -10.0 44.4 0.4 23.4 60 60 A Q S < S+ 0 0 106 -3,-1.5 -7,-0.6 -10,-0.1 -1,-0.2 -0.413 84.4 166.2-118.7 54.1 47.7 -0.8 21.9 61 61 A S B -H 52 0B 13 -3,-0.3 158,-0.4 -9,-0.1 -9,-0.2 -0.219 48.1-127.9 -73.7 159.0 48.1 -3.8 24.2 62 62 A F S S+ 0 0 32 -11,-1.0 161,-3.7 160,-0.1 2,-0.3 0.608 95.6 27.6 -77.4 -16.8 50.4 -6.8 23.9 63 63 A S - 0 0 5 -12,-0.4 -1,-0.1 159,-0.2 -2,-0.1 -0.996 59.8-147.2-148.6 150.4 47.5 -9.2 24.2 64 64 A A S S+ 0 0 34 -2,-0.3 -1,-0.1 1,-0.1 -14,-0.0 0.535 106.8 26.6 -91.0 -10.2 43.8 -9.1 23.4 65 65 A F S S+ 0 0 17 72,-0.1 -1,-0.1 2,-0.1 73,-0.1 0.613 98.3 98.7-122.6 -28.0 43.0 -11.4 26.4 66 66 A A - 0 0 4 71,-0.1 2,-0.2 1,-0.1 -3,-0.2 -0.299 66.1-127.6 -68.2 148.5 45.8 -10.7 28.9 67 67 A G - 0 0 1 -17,-0.2 -17,-0.3 1,-0.1 125,-0.1 -0.568 28.0 -98.0 -93.8 159.2 45.4 -8.4 31.8 68 68 A N > - 0 0 7 -19,-2.4 3,-1.0 -18,-0.2 4,-0.1 -0.650 23.9-156.7 -79.9 115.2 47.7 -5.5 32.8 69 69 A P G > S+ 0 0 2 0, 0.0 3,-3.4 0, 0.0 -1,-0.2 0.898 88.8 70.3 -56.9 -40.7 50.2 -6.6 35.5 70 70 A Y G 3 S+ 0 0 7 1,-0.3 -2,-0.0 -3,-0.1 -48,-0.0 0.848 93.0 57.8 -43.7 -41.9 50.6 -2.9 36.6 71 71 A L G < S+ 0 0 0 -3,-1.0 -46,-2.6 -47,-0.1 -1,-0.3 0.445 82.9 117.5 -72.5 0.2 47.0 -3.0 37.9 72 72 A I S < S- 0 0 0 -3,-3.4 2,-0.9 -48,-0.2 120,-0.1 -0.444 70.2-123.5 -73.2 143.4 47.9 -5.9 40.2 73 73 A D - 0 0 8 1,-0.2 4,-0.2 118,-0.2 -1,-0.1 -0.776 29.2-177.5 -88.3 105.4 47.7 -5.4 44.0 74 74 A L >> + 0 0 4 -2,-0.9 3,-3.0 1,-0.2 4,-1.4 0.893 68.3 69.9 -72.2 -44.1 51.1 -6.3 45.3 75 75 A R H 3> S+ 0 0 38 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.820 89.7 63.0 -46.5 -39.1 50.6 -5.9 49.1 76 76 A P H 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.738 108.5 44.7 -61.4 -17.7 48.4 -9.0 49.3 77 77 A L H X4>S+ 0 0 9 -3,-3.0 5,-1.6 -4,-0.2 3,-1.2 0.768 110.0 51.8 -91.9 -33.0 51.5 -10.9 48.1 78 78 A A H ><5S+ 0 0 36 -4,-1.4 3,-0.9 1,-0.3 -3,-0.2 0.684 102.1 64.0 -74.3 -17.9 53.8 -9.0 50.5 79 79 A E T 3<5S+ 0 0 143 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.399 103.3 47.1 -84.7 0.8 51.2 -10.0 53.2 80 80 A R T < 5S- 0 0 124 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.047 123.6-102.5-125.7 18.3 52.1 -13.7 52.5 81 81 A G T < 5S+ 0 0 32 -3,-0.9 -3,-0.2 2,-0.1 37,-0.2 0.925 85.7 124.5 59.3 48.6 55.9 -13.1 52.6 82 82 A Y S - 0 0 30 0, 0.0 3,-0.6 0, 0.0 2,-0.3 -0.207 33.7-100.4 -70.5 164.0 54.4 11.0 42.8 92 92 A Q T 3 S+ 0 0 134 1,-0.2 386,-0.1 3,-0.1 384,-0.1 -0.685 95.1 1.2 -90.7 138.4 50.9 11.7 43.9 93 93 A G T 3 S+ 0 0 15 384,-0.4 383,-1.2 -2,-0.3 2,-0.2 0.830 114.5 83.0 58.3 36.9 47.9 11.6 41.5 94 94 A R B < S-I 475 0C 117 -3,-0.6 381,-0.3 381,-0.3 2,-0.2 -0.813 72.1-126.7-170.7 127.0 50.0 10.5 38.5 95 95 A V - 0 0 3 379,-4.4 2,-0.5 -2,-0.2 -73,-0.1 -0.521 12.1-158.6 -76.9 142.3 51.3 7.2 37.2 96 96 A D > + 0 0 43 -75,-0.7 4,-3.4 -2,-0.2 5,-0.3 -0.781 12.1 178.8-121.6 79.5 55.0 7.1 36.4 97 97 A Y H > S+ 0 0 18 -2,-0.5 4,-1.9 1,-0.2 5,-0.1 0.733 80.7 59.2 -56.2 -23.4 55.2 4.2 33.9 98 98 A G H > S+ 0 0 51 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.975 115.3 32.1 -68.9 -54.7 58.9 4.8 33.7 99 99 A L H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.984 120.7 51.6 -62.9 -59.2 59.5 4.2 37.4 100 100 A L H X>S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.3 5,-0.7 0.848 107.9 53.4 -46.2 -43.8 56.6 1.7 37.7 101 101 A Y H <5S+ 0 0 144 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.3 0.929 113.8 41.3 -59.9 -46.8 58.1 -0.3 34.8 102 102 A A H <5S+ 0 0 69 -4,-1.8 -1,-0.2 -3,-0.5 -2,-0.2 0.677 128.1 31.7 -75.9 -18.5 61.5 -0.5 36.4 103 103 A W H X5S+ 0 0 21 -4,-1.9 4,-3.2 -5,-0.1 5,-0.2 0.858 116.0 48.4-103.2 -58.8 60.1 -1.2 39.9 104 104 A K H X5S+ 0 0 5 -4,-2.1 4,-1.3 -5,-0.2 5,-0.2 0.961 111.6 49.8 -46.5 -69.7 56.8 -3.1 39.5 105 105 A W H >> S+ 0 0 66 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.979 113.9 51.4 -59.9 -51.5 61.2 -6.5 39.2 107 107 A A H 3X S+ 0 0 7 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.628 112.0 51.3 -58.3 -13.7 59.1 -6.4 42.4 108 108 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 3,-1.4 0.968 111.8 40.9 -59.2 -54.3 56.7 -15.0 41.8 113 113 A R H 3X S+ 0 0 138 -4,-1.2 4,-0.8 1,-0.3 -1,-0.2 0.834 112.9 56.3 -62.5 -30.8 59.9 -16.5 43.3 114 114 A G H 3X S+ 0 0 8 -4,-2.6 4,-1.0 -32,-0.2 -1,-0.3 0.640 109.9 49.3 -74.2 -12.9 58.4 -15.6 46.6 115 115 A F H > - 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