==== 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 17-FEB-07 2OWX . COMPND 2 MOLECULE: 4-ALPHA-GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.R.M.BARENDS,T.KAPER,J.J.BULTEMA,L.DIJKHUIZEN,J.E.C.VAN DER . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.2 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 . 1 0.2 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 1 1 0 1 1 1 2 3 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 3 2 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 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 46 0, 0.0 2,-0.6 0, 0.0 288,-0.0 0.000 360.0 360.0 360.0 174.7 41.4 14.4 66.1 2 2 A E - 0 0 138 334,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.917 360.0-168.6-107.8 118.5 42.0 11.0 67.8 3 3 A L - 0 0 0 -2,-0.6 383,-0.1 442,-0.0 2,-0.1 -0.852 7.3-164.4-108.8 97.7 43.7 11.1 71.2 4 4 A P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 494,-0.0 -0.351 40.8 -83.3 -74.9 159.6 44.9 7.6 72.4 5 5 A R S S+ 0 0 71 440,-0.1 2,-0.3 492,-0.1 440,-0.2 -0.499 80.9 126.4 -65.2 110.4 45.8 6.9 76.0 6 6 A A E -a 445 0A 0 438,-3.3 440,-1.8 -2,-0.6 2,-0.3 -0.895 49.6-128.0-152.8 177.6 49.5 8.1 76.1 7 7 A F E +a 446 0A 0 491,-0.4 35,-2.7 33,-0.4 36,-0.6 -0.929 23.2 171.2-132.8 163.3 52.2 10.2 77.7 8 8 A G E -ab 447 43A 0 438,-2.1 440,-1.9 -2,-0.3 2,-0.4 -0.906 25.0-114.2-155.6-179.9 54.6 12.7 76.3 9 9 A L E -ab 448 44A 0 34,-2.3 36,-2.7 -2,-0.3 2,-0.6 -0.970 13.3-134.5-131.1 144.9 57.2 15.3 77.4 10 10 A L E +ab 449 45A 9 438,-2.5 440,-1.8 -2,-0.4 2,-0.2 -0.864 38.8 150.5 -97.5 122.9 57.4 19.1 77.1 11 11 A L - 0 0 4 34,-2.8 -2,-0.1 -2,-0.6 5,-0.1 -0.770 37.1-142.5-156.8 104.5 60.9 20.3 76.1 12 12 A H > - 0 0 9 -2,-0.2 3,-2.1 34,-0.1 4,-0.2 -0.474 28.6-122.0 -64.6 135.4 61.6 23.4 74.1 13 13 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.757 108.9 67.9 -54.7 -30.0 64.5 22.7 71.6 14 14 A T G 3 S+ 0 0 2 1,-0.3 9,-1.9 8,-0.1 -2,-0.0 0.783 94.1 61.4 -58.7 -28.6 66.7 25.5 73.1 15 15 A S G < S+ 0 0 3 -3,-2.1 461,-2.8 7,-0.1 -1,-0.3 0.446 79.5 112.9 -77.3 -1.1 66.8 23.3 76.3 16 16 A L < - 0 0 0 -3,-2.0 13,-0.1 459,-0.2 12,-0.0 -0.363 69.4-116.5 -68.9 153.8 68.5 20.5 74.4 17 17 A P + 0 0 22 0, 0.0 7,-0.4 0, 0.0 11,-0.1 -0.220 60.9 89.6 -80.0 177.1 72.2 19.6 75.4 18 18 A G S S- 0 0 22 458,-0.2 3,-0.3 5,-0.1 4,-0.0 -0.539 70.1 -46.0 121.9 172.3 75.2 19.9 73.2 19 19 A P S S+ 0 0 58 0, 0.0 3,-0.5 0, 0.0 5,-0.0 -0.149 96.1 45.5 -77.5 168.6 77.8 22.4 72.1 20 20 A Y S S- 0 0 53 1,-0.2 84,-0.1 70,-0.1 66,-0.0 0.645 111.1 -76.0 74.8 22.3 77.7 26.1 71.0 21 21 A G S S+ 0 0 1 -3,-0.3 75,-0.3 70,-0.1 2,-0.3 0.211 104.8 47.6 88.7 -13.9 75.4 27.6 73.6 22 22 A V S S- 0 0 1 -3,-0.5 -7,-0.1 73,-0.1 -8,-0.1 -0.990 87.2 -89.8-158.7 152.9 71.9 26.6 72.7 23 23 A G - 0 0 0 -9,-1.9 2,-0.2 -2,-0.3 -5,-0.1 -0.416 49.9-171.8 -65.9 140.8 69.9 23.5 71.8 24 24 A V - 0 0 6 -7,-0.4 2,-1.2 -2,-0.1 5,-0.2 -0.747 35.9 -95.2-129.5 176.1 69.8 22.9 68.1 25 25 A L S S+ 0 0 7 46,-2.1 48,-0.2 -2,-0.2 174,-0.1 -0.460 89.8 81.8 -94.5 62.9 68.1 20.7 65.5 26 26 A G S > S- 0 0 1 -2,-1.2 4,-1.7 46,-0.1 3,-0.3 -0.184 96.5 -26.3-132.2-135.5 70.8 18.0 65.2 27 27 A Q H > S+ 0 0 82 1,-0.2 4,-3.2 2,-0.2 3,-0.2 0.911 129.8 50.3 -57.2 -49.9 72.1 14.9 66.9 28 28 A E H > S+ 0 0 33 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.810 106.9 55.5 -62.8 -29.9 70.9 15.8 70.4 29 29 A A H > S+ 0 0 0 -3,-0.3 4,-1.5 -5,-0.2 -1,-0.3 0.910 112.7 43.2 -65.0 -41.2 67.4 16.5 69.1 30 30 A R H X S+ 0 0 81 -4,-1.7 4,-2.5 -3,-0.2 -2,-0.2 0.916 110.2 55.5 -69.3 -44.4 67.5 13.0 67.6 31 31 A D H X S+ 0 0 81 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.912 107.9 50.0 -53.8 -45.8 69.0 11.5 70.8 32 32 A F H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.867 107.6 52.7 -62.1 -39.3 66.1 12.9 72.8 33 33 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.951 109.3 50.0 -60.2 -47.3 63.5 11.5 70.4 34 34 A R H X S+ 0 0 87 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 111.2 49.5 -54.8 -45.1 65.2 8.0 70.9 35 35 A F H X S+ 0 0 28 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.915 111.3 49.0 -60.1 -46.4 65.0 8.5 74.7 36 36 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-1.1 0.966 112.3 47.4 -58.7 -56.2 61.3 9.5 74.4 37 37 A K H ><5S+ 0 0 100 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.884 111.0 50.3 -52.8 -47.1 60.4 6.5 72.3 38 38 A E H 3<5S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.675 107.3 56.2 -69.4 -15.1 62.3 4.0 74.5 39 39 A A T <<5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-0.9 454,-0.2 0.434 120.9-108.6 -94.5 -0.1 60.5 5.5 77.5 40 40 A G T < 5S+ 0 0 5 -3,-1.5 -33,-0.4 -4,-0.3 2,-0.2 0.503 70.2 144.5 87.4 5.0 57.1 4.7 75.9 41 41 A G < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.2 -33,-0.2 -0.521 30.9-174.9 -78.5 143.2 56.3 8.4 75.2 42 42 A R + 0 0 63 -35,-2.7 167,-2.7 -2,-0.2 2,-0.4 0.269 62.6 63.2-119.0 8.9 54.4 9.2 72.0 43 43 A Y E -bc 8 209A 1 -36,-0.6 -34,-2.3 165,-0.2 2,-0.5 -0.994 49.2-170.4-144.1 136.3 54.4 13.0 72.2 44 44 A W E -bc 9 210A 0 165,-2.3 167,-2.1 -2,-0.4 2,-0.5 -0.974 16.6-159.9-123.7 114.6 57.0 15.8 72.2 45 45 A Q E +bc 10 211A 0 -36,-2.7 -34,-2.8 -2,-0.5 2,-0.2 -0.855 12.9 177.8-101.0 128.3 55.7 19.3 73.1 46 46 A V - 0 0 0 165,-2.2 -34,-0.1 -2,-0.5 3,-0.1 -0.740 26.1-118.6-118.4 167.1 57.6 22.4 72.1 47 47 A L - 0 0 2 -2,-0.2 166,-0.2 1,-0.2 -1,-0.0 -0.448 61.4 -54.3 -95.3 174.1 57.0 26.2 72.5 48 48 A P - 0 0 13 0, 0.0 -1,-0.2 0, 0.0 166,-0.1 -0.186 49.4-148.2 -51.2 145.8 56.7 28.5 69.4 49 49 A L + 0 0 12 164,-0.2 19,-2.6 -3,-0.1 22,-0.1 0.123 50.3 119.2-108.3 19.8 59.7 28.2 67.2 50 50 A G S S- 0 0 8 8,-0.3 18,-0.2 17,-0.3 17,-0.2 -0.249 72.9 -74.5 -84.3 171.5 60.1 31.8 65.7 51 51 A P - 0 0 2 0, 0.0 11,-1.6 0, 0.0 12,-0.4 -0.393 51.7-140.0 -62.5 136.4 62.9 34.3 65.9 52 52 A T B -H 61 0B 19 9,-0.2 9,-0.1 10,-0.1 2,-0.1 -0.688 20.7-179.9-103.6 154.9 63.1 36.1 69.3 53 53 A G > - 0 0 18 7,-0.6 3,-2.7 4,-0.4 4,-0.1 -0.157 56.1 -1.1-121.6-142.3 63.8 39.7 70.2 54 54 A Y T 3 S+ 0 0 235 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 -0.299 134.2 20.2 -56.2 120.7 64.1 41.6 73.4 55 55 A G T 3 S- 0 0 22 1,-0.2 -1,-0.3 -2,-0.1 416,-0.2 0.180 107.3-109.1 103.6 -16.2 63.5 39.2 76.3 56 56 A D < + 0 0 46 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.679 63.2 165.4 63.6 24.5 64.3 36.1 74.2 57 57 A S > - 0 0 21 -3,-0.3 3,-1.5 3,-0.2 -4,-0.4 -0.578 41.7-156.1 -81.5 123.5 60.6 35.2 74.3 58 58 A P T 3 S+ 0 0 5 0, 0.0 3,-0.4 0, 0.0 -8,-0.3 0.698 98.8 59.7 -63.1 -19.8 59.2 32.7 71.9 59 59 A Y T 3 S+ 0 0 40 1,-0.2 -2,-0.0 155,-0.1 -7,-0.0 0.300 101.2 52.7 -93.1 6.5 55.9 34.5 72.6 60 60 A Q S < S+ 0 0 69 -3,-1.5 -7,-0.6 -10,-0.1 -1,-0.2 -0.472 83.5 170.7-136.9 60.6 57.1 37.8 71.2 61 61 A S B -H 52 0B 16 -3,-0.4 158,-0.5 -9,-0.1 -9,-0.2 -0.501 46.8-131.1 -88.1 143.9 58.4 36.8 67.8 62 62 A F S S+ 0 0 31 -11,-1.6 161,-2.8 -2,-0.2 2,-0.3 0.636 97.2 17.9 -59.7 -16.3 59.6 38.9 64.9 63 63 A S - 0 0 3 -12,-0.4 -1,-0.2 159,-0.2 -3,-0.0 -0.932 56.3-145.1-162.0 139.0 57.4 36.7 62.7 64 64 A A S S+ 0 0 36 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.660 108.1 34.6 -70.7 -17.6 54.4 34.3 63.0 65 65 A F S S+ 0 0 11 72,-0.1 -1,-0.2 2,-0.1 73,-0.1 0.759 96.7 90.5-106.8 -35.4 55.9 32.2 60.1 66 66 A A - 0 0 7 71,-0.1 2,-0.3 1,-0.1 -3,-0.1 -0.116 67.1-126.8 -65.5 160.9 59.7 32.3 60.4 67 67 A G - 0 0 0 -17,-0.2 -17,-0.3 -19,-0.0 125,-0.1 -0.765 32.0 -93.8-106.7 157.1 61.9 29.9 62.4 68 68 A N > - 0 0 6 -19,-2.6 3,-2.2 -2,-0.3 4,-0.3 -0.555 23.5-155.1 -73.9 112.1 64.5 30.7 65.1 69 69 A P G > S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.731 92.5 69.1 -59.3 -20.0 67.9 31.0 63.5 70 70 A Y G 3 S+ 0 0 14 1,-0.2 -48,-0.1 -46,-0.0 -2,-0.1 0.733 91.5 60.6 -69.7 -20.4 69.3 30.2 67.0 71 71 A L G < S+ 0 0 0 -3,-2.2 -46,-2.1 -22,-0.1 -1,-0.2 0.575 78.3 114.4 -83.1 -8.6 67.9 26.7 66.5 72 72 A I < - 0 0 0 -3,-1.2 2,-0.6 -4,-0.3 -46,-0.1 -0.411 69.0-129.4 -66.9 130.5 70.1 26.0 63.4 73 73 A D - 0 0 11 -48,-0.2 4,-0.4 -2,-0.2 -1,-0.1 -0.727 17.6-166.0 -81.0 122.0 72.7 23.3 63.9 74 74 A L S > S+ 0 0 2 -2,-0.6 4,-1.9 1,-0.2 3,-0.2 0.643 71.8 83.6 -82.6 -16.3 76.0 24.8 62.7 75 75 A R H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 87.6 49.2 -57.0 -44.2 77.7 21.5 62.6 76 76 A P H > S+ 0 0 34 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.868 110.3 54.4 -63.4 -34.3 76.5 20.4 59.1 77 77 A L H 4>S+ 0 0 4 -4,-0.4 5,-2.6 -3,-0.2 6,-0.5 0.867 107.4 48.9 -65.7 -39.6 77.6 23.9 57.9 78 78 A A H ><5S+ 0 0 35 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.878 108.2 54.3 -67.0 -39.0 81.2 23.3 59.2 79 79 A E H 3<5S+ 0 0 166 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.910 106.1 51.2 -61.1 -44.8 81.4 19.9 57.6 80 80 A R T 3<5S- 0 0 128 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.467 121.1-114.2 -71.1 -2.2 80.5 21.4 54.2 81 81 A G T < 5S+ 0 0 28 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.693 79.8 126.2 77.4 21.8 83.3 23.9 54.9 82 82 A Y S - 0 0 52 -2,-0.6 4,-2.3 -75,-0.3 5,-0.2 -0.865 13.4-172.4 -95.9 95.9 73.7 33.0 77.7 97 97 A Y H > S+ 0 0 23 -2,-1.1 4,-3.1 1,-0.2 5,-0.2 0.812 77.4 59.6 -62.8 -32.8 71.6 34.8 75.2 98 98 A G H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 110.7 40.1 -59.9 -50.6 74.1 37.8 75.1 99 99 A L H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.862 114.6 53.9 -67.1 -38.2 77.0 35.6 74.0 100 100 A L H X>S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.7 0.939 111.1 45.8 -63.3 -46.0 74.7 33.6 71.6 101 101 A Y H X5S+ 0 0 144 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.941 116.7 44.8 -60.1 -46.7 73.6 36.9 70.0 102 102 A A H <5S+ 0 0 61 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.818 127.6 28.1 -68.2 -28.8 77.2 38.1 69.8 103 103 A W H X5S+ 0 0 38 -4,-2.5 4,-2.0 -5,-0.1 -3,-0.2 0.885 117.0 49.2-100.6 -49.4 78.5 34.8 68.5 104 104 A K H X5S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.3 -3,-0.2 0.857 106.1 55.6 -65.9 -38.9 75.8 32.9 66.6 105 105 A W H X S+ 0 0 55 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.919 112.4 55.1 -54.8 -44.7 78.3 36.4 62.9 107 107 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.830 109.2 47.8 -58.2 -33.8 78.8 32.6 62.6 108 108 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.2 0.904 110.8 49.5 -73.2 -42.2 75.7 32.4 60.5 109 109 A K H X S+ 0 0 90 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.864 111.2 51.7 -62.8 -37.9 76.7 35.3 58.3 110 110 A E H X S+ 0 0 84 -4,-2.7 4,-2.7 -5,-0.2 3,-0.3 0.967 108.3 50.3 -60.4 -54.4 80.1 33.6 57.9 111 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.786 108.9 53.6 -56.1 -29.8 78.4 30.4 56.9 112 112 A F H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.885 109.9 44.9 -73.3 -41.3 76.3 32.3 54.3 113 113 A R H X S+ 0 0 127 -4,-1.8 4,-1.6 -3,-0.3 -2,-0.2 0.901 115.9 48.5 -67.0 -41.2 79.4 33.9 52.6 114 114 A G H X S+ 0 0 6 -4,-2.7 4,-1.8 -32,-0.4 5,-0.3 0.799 110.6 51.7 -66.7 -32.1 81.1 30.5 52.7 115 115 A F H X S+ 0 0 5 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.920 108.1 50.5 -70.4 -45.2 77.9 28.9 51.3 116 116 A K H < S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 113.0 49.3 -59.1 -35.0 77.8 31.4 48.4 117 117 A E H < S+ 0 0 149 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.904 127.6 14.2 -72.4 -44.8 81.5 30.6 47.7 118 118 A K H < S+ 0 0 123 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.664 86.1 119.8-111.0 -21.0 81.5 26.8 47.6 119 119 A A < - 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