==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-FEB-03 1J3W . COMPND 2 MOLECULE: GIDING PROTEIN-MGLB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,M.MIYANO,RIKEN STRUCTURAL . 535 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 22.4 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 . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 4 0 0 0 0 0 0 0 4 0 0 1 3 0 1 1 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 10 8 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 . 0 0 0 0 0 0 0 0 2 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 6 A L 0 0 82 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 145.1 26.5 14.7 73.1 2 7 A V - 0 0 86 129,-0.1 2,-0.5 126,-0.1 6,-0.1 -0.981 360.0-142.2-137.5 120.6 27.9 16.5 76.1 3 8 A L + 0 0 12 -2,-0.4 2,-0.3 34,-0.1 125,-0.0 -0.735 35.8 148.0 -87.6 126.2 30.7 14.9 78.2 4 9 A Y + 0 0 174 -2,-0.5 4,-0.3 127,-0.0 2,-0.1 -0.983 44.6 7.1-152.0 157.4 30.5 15.4 82.0 5 10 A G S > S- 0 0 44 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 -0.396 123.0 -5.5 72.8-146.6 31.4 13.6 85.1 6 11 A A H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 135.4 52.2 -50.5 -48.6 33.3 10.3 85.0 7 12 A P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 110.1 50.2 -58.5 -38.5 33.3 10.1 81.1 8 13 A Y H > S+ 0 0 92 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.940 109.6 49.7 -64.5 -47.6 34.7 13.6 80.9 9 14 A E H X S+ 0 0 107 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.915 111.5 50.2 -57.1 -43.7 37.4 12.9 83.4 10 15 A R H X S+ 0 0 92 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 109.9 50.0 -62.6 -41.1 38.3 9.8 81.4 11 16 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 110.1 49.7 -64.2 -45.1 38.4 11.8 78.1 12 17 A V H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.905 108.1 54.5 -61.2 -40.3 40.7 14.4 79.6 13 18 A E H X S+ 0 0 75 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 108.1 49.3 -60.0 -43.5 43.0 11.7 80.9 14 19 A V H X S+ 0 0 19 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 111.1 49.6 -62.7 -42.3 43.3 10.2 77.4 15 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 110.5 50.0 -62.3 -43.1 44.1 13.7 76.0 16 21 A E H X S+ 0 0 62 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.929 113.0 46.3 -59.1 -48.3 46.8 14.3 78.6 17 22 A E H X S+ 0 0 99 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.866 109.4 55.1 -63.5 -38.2 48.4 10.9 77.9 18 23 A T H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 6,-0.4 0.889 105.1 52.3 -64.7 -39.4 48.2 11.6 74.1 19 24 A L H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.932 111.1 47.9 -62.4 -43.3 50.1 14.9 74.5 20 25 A R H < S+ 0 0 173 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.1 44.5 -64.7 -38.8 52.8 13.1 76.4 21 26 A E H < S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.821 123.1 34.6 -75.2 -32.3 53.1 10.2 73.9 22 27 A T H < S- 0 0 2 -4,-2.3 91,-0.2 -5,-0.2 -2,-0.2 0.745 94.1-129.1 -95.0 -28.9 53.0 12.4 70.8 23 28 A G < + 0 0 22 -4,-2.6 82,-0.3 -5,-0.3 -3,-0.1 0.529 56.1 152.1 87.3 6.6 54.9 15.6 71.8 24 29 A A - 0 0 0 -6,-0.4 80,-0.2 -5,-0.3 -1,-0.2 -0.211 46.8-137.5 -68.8 162.2 51.9 17.6 70.5 25 30 A R S S+ 0 0 55 78,-2.3 17,-3.0 1,-0.3 2,-0.4 0.911 80.4 17.1 -84.4 -51.2 51.0 21.1 71.9 26 31 A Y E -AB 41 103A 4 77,-1.7 77,-2.5 15,-0.2 2,-0.4 -0.975 59.3-168.0-132.0 143.2 47.2 20.9 72.1 27 32 A A E +AB 40 102A 0 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.993 12.1 175.5-131.3 135.6 44.7 18.0 72.0 28 33 A L E -AB 39 101A 0 73,-2.5 73,-2.8 -2,-0.4 2,-0.5 -0.988 24.5-152.6-140.7 148.8 40.9 18.3 71.6 29 34 A L E +AB 38 100A 0 9,-2.8 8,-2.4 -2,-0.3 9,-1.6 -0.989 31.6 169.8-116.8 123.1 37.9 16.1 71.3 30 35 A I E -AB 36 99A 0 69,-2.5 69,-2.9 -2,-0.5 6,-0.2 -0.927 32.8-117.5-132.0 156.5 35.1 17.9 69.4 31 36 A D E > - B 0 98A 29 4,-2.2 3,-1.9 -2,-0.3 67,-0.2 -0.437 43.0 -98.3 -85.9 170.9 31.8 16.9 67.9 32 37 A R T 3 S+ 0 0 37 65,-1.1 66,-0.1 1,-0.3 31,-0.1 0.538 123.1 59.7 -69.2 -2.8 31.3 17.2 64.2 33 38 A K T 3 S- 0 0 158 2,-0.1 -1,-0.3 27,-0.0 27,-0.1 0.488 122.5-102.3 -99.0 -7.1 29.6 20.5 64.6 34 39 A G S < S+ 0 0 5 -3,-1.9 2,-0.3 1,-0.3 22,-0.1 0.472 70.6 146.0 101.9 1.8 32.6 22.1 66.3 35 40 A F - 0 0 105 20,-0.1 -4,-2.2 21,-0.1 2,-0.7 -0.588 50.0-126.4 -74.5 129.0 31.6 21.9 69.9 36 41 A V E +A 30 0A 21 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.682 29.8 177.1 -81.4 114.4 34.6 21.3 72.2 37 42 A L E - 0 0 11 -8,-2.4 2,-0.3 -2,-0.7 -7,-0.2 0.820 69.3 -12.7 -84.0 -35.3 33.9 18.3 74.4 38 43 A A E -A 29 0A 2 -9,-1.6 -9,-2.8 -27,-0.1 -1,-0.3 -0.962 63.7-176.6-163.6 149.7 37.3 18.2 76.1 39 44 A H E -A 28 0A 73 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.995 4.4-175.0-153.8 149.9 40.7 19.8 75.6 40 45 A K E -A 27 0A 66 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.3 -0.994 9.2-155.4-145.5 145.5 44.2 19.7 77.1 41 46 A E E -A 26 0A 70 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.934 26.8-107.9-124.0 147.7 47.3 21.7 76.5 42 47 A A > - 0 0 13 -17,-3.0 3,-1.0 -2,-0.3 -17,-0.0 -0.533 23.4-134.4 -72.6 135.8 51.0 20.9 77.1 43 48 A L T 3 S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.2 -18,-0.0 0.848 105.1 53.4 -58.3 -35.4 52.5 22.8 80.0 44 49 A W T 3 S+ 0 0 138 2,-0.0 -1,-0.2 -19,-0.0 -19,-0.1 0.690 94.2 88.4 -74.2 -20.7 55.6 23.6 77.9 45 50 A A S < S- 0 0 15 -3,-1.0 -4,-0.0 -20,-0.2 -21,-0.0 -0.417 82.3-108.1 -81.9 154.4 53.6 25.0 75.0 46 51 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.196 57.4 -64.6 -71.8 171.6 52.5 28.7 74.6 47 52 A K - 0 0 196 1,-0.1 -6,-0.0 -6,-0.0 0, 0.0 -0.322 63.9-120.8 -55.2 134.2 48.9 29.8 75.0 48 53 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.273 26.7 -95.4 -76.6 166.0 46.9 28.1 72.2 49 54 A P S S- 0 0 28 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.346 74.2 -58.9 -70.4 166.1 45.0 30.0 69.6 50 55 A P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.1 -0.274 54.0-152.3 -51.3 117.8 41.3 30.3 70.5 51 56 A L H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.810 91.4 53.9 -65.3 -34.3 40.2 26.7 70.8 52 57 A D H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 110.3 49.4 -67.8 -36.3 36.5 27.2 70.0 53 58 A T H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.937 111.6 48.4 -64.9 -46.7 37.7 29.0 66.8 54 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.938 112.3 49.1 -58.2 -48.3 40.0 26.1 66.0 55 60 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 109.8 50.7 -60.3 -43.7 37.2 23.6 66.6 56 61 A T H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 112.7 46.2 -62.6 -42.2 34.7 25.4 64.4 57 62 A L H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.872 111.2 52.0 -69.5 -36.0 37.2 25.6 61.5 58 63 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 110.6 48.2 -65.1 -42.5 38.1 21.9 61.9 59 64 A A H X S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.900 110.4 52.3 -63.4 -39.4 34.4 21.0 61.8 60 65 A G H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 110.0 48.3 -62.9 -41.3 34.0 23.1 58.7 61 66 A N H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 105.3 58.4 -65.6 -40.4 36.9 21.4 57.0 62 67 A A H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 15,-0.2 0.847 111.4 42.4 -58.4 -35.3 35.5 18.0 57.9 63 68 A A H >< S+ 0 0 63 -4,-1.5 3,-1.1 1,-0.1 4,-0.3 0.901 113.0 53.5 -77.4 -40.9 32.3 18.8 56.0 64 69 A A H >< S+ 0 0 53 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.812 101.7 56.1 -65.1 -35.3 34.1 20.5 53.1 65 70 A T T 3X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.523 82.9 87.5 -79.0 -2.4 36.5 17.6 52.2 66 71 A Q H <> S+ 0 0 50 -3,-1.1 4,-3.0 1,-0.2 -1,-0.2 0.818 80.8 60.3 -65.9 -28.5 33.6 15.2 51.8 67 72 A A H <> S+ 0 0 49 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.939 108.2 44.2 -63.4 -45.4 33.2 16.2 48.1 68 73 A L H > S+ 0 0 4 -4,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.928 113.8 51.0 -62.9 -45.5 36.8 15.1 47.5 69 74 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.938 110.9 47.3 -58.3 -48.4 36.3 11.9 49.5 70 75 A K H ><5S+ 0 0 114 -4,-3.0 3,-1.7 5,-0.3 -1,-0.2 0.852 105.3 58.7 -64.1 -34.5 33.1 11.0 47.6 71 76 A L H 3<5S+ 0 0 44 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.843 108.7 47.6 -62.9 -30.1 34.7 11.6 44.2 72 77 A L T <<5S- 0 0 19 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.301 128.1-100.0 -92.1 7.2 37.2 9.0 45.3 73 78 A G T < 5S+ 0 0 54 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.590 85.6 119.6 86.9 11.5 34.5 6.6 46.4 74 79 A E < - 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.815 64.2-137.4-108.9 149.5 34.7 7.3 50.1 75 80 A A S S- 0 0 68 -2,-0.3 -5,-0.3 1,-0.3 2,-0.3 0.911 84.0 -33.2 -68.9 -41.5 31.9 8.6 52.3 76 81 A R S S- 0 0 42 -7,-0.2 2,-0.5 -8,-0.1 -1,-0.3 -0.963 71.3 -86.2-168.2 165.9 34.4 10.9 54.0 77 82 A F - 0 0 12 -2,-0.3 146,-0.3 -15,-0.2 3,-0.1 -0.746 28.7-164.5 -85.5 128.8 38.1 11.0 55.0 78 83 A Q S S+ 0 0 39 144,-1.4 15,-1.8 -2,-0.5 2,-0.4 0.813 75.1 31.7 -81.8 -29.4 38.6 9.4 58.4 79 84 A E E +CD 92 222A 33 143,-1.9 143,-3.1 13,-0.2 2,-0.4 -0.989 64.9 178.0-133.4 136.5 42.1 10.9 58.9 80 85 A E E -CD 91 221A 10 11,-2.6 11,-2.6 -2,-0.4 2,-0.4 -1.000 8.9-167.6-139.9 140.4 43.7 14.2 57.7 81 86 A V E -CD 90 220A 7 139,-2.5 139,-2.5 -2,-0.4 2,-0.5 -0.997 3.3-173.0-128.1 129.6 47.1 15.8 58.2 82 87 A H E -CD 89 219A 0 7,-2.6 7,-2.7 -2,-0.4 2,-0.5 -0.991 8.6-168.8-123.5 123.2 47.8 19.4 57.4 83 88 A Q E +CD 88 218A 45 135,-3.1 135,-2.0 -2,-0.5 134,-1.9 -0.952 8.1 176.7-121.2 128.8 51.4 20.6 57.6 84 89 A G - 0 0 7 3,-2.9 132,-0.1 -2,-0.5 129,-0.0 -0.183 53.1 -79.5-104.4-158.9 52.7 24.2 57.4 85 90 A E S S- 0 0 135 130,-0.3 3,-0.1 -2,-0.1 131,-0.1 0.874 122.8 -0.2 -74.4 -38.0 56.2 25.5 57.8 86 91 A R S S+ 0 0 139 1,-0.2 20,-0.5 19,-0.1 2,-0.3 0.663 125.7 56.9-121.8 -32.7 56.2 25.3 61.6 87 92 A M - 0 0 15 18,-0.2 -3,-2.9 19,-0.1 2,-0.3 -0.825 55.9-168.5-112.8 148.6 52.8 24.0 62.7 88 93 A G E -CE 83 104A 0 16,-3.0 16,-2.3 -2,-0.3 2,-0.4 -0.909 8.0-151.9-130.6 157.8 50.8 20.8 61.9 89 94 A L E -CE 82 103A 2 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.4 -0.997 6.8-170.4-132.8 131.0 47.3 19.6 62.4 90 95 A Y E +CE 81 102A 0 12,-2.7 12,-2.7 -2,-0.4 2,-0.4 -0.989 7.4 179.6-122.5 128.6 46.2 16.0 62.8 91 96 A V E +CE 80 101A 11 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.3 -0.997 4.3 169.8-132.6 130.2 42.4 15.1 62.8 92 97 A D E -CE 79 100A 2 8,-2.1 8,-3.2 -2,-0.4 -13,-0.2 -0.989 39.6 -99.1-138.9 147.1 41.0 11.7 63.1 93 98 A E E - E 0 99A 16 -15,-1.8 2,-0.5 -2,-0.3 6,-0.3 -0.446 23.9-164.2 -67.1 134.2 37.5 10.3 63.7 94 99 A A S S- 0 0 1 4,-2.6 3,-0.3 1,-0.4 4,-0.2 -0.695 71.3 -44.5-115.6 71.2 36.8 9.4 67.3 95 100 A G S > S- 0 0 19 -2,-0.5 3,-0.5 1,-0.2 -1,-0.4 -0.329 91.3 -58.4 91.2-179.4 33.7 7.4 66.5 96 101 A E T 3 S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.1 -64,-0.0 0.665 134.6 37.8 -74.4 -14.7 31.0 8.4 64.1 97 102 A H T 3 S+ 0 0 130 -3,-0.3 -65,-1.1 28,-0.1 2,-0.3 0.335 109.2 51.1-122.4 10.0 30.2 11.6 65.9 98 103 A A E < -B 31 0A 4 -3,-0.5 -4,-2.6 -67,-0.2 2,-0.4 -0.928 57.8-144.3-143.0 167.3 33.4 13.1 67.2 99 104 A L E -BE 30 93A 5 -69,-2.9 -69,-2.5 -2,-0.3 2,-0.5 -0.996 10.1-141.5-136.0 138.3 36.9 14.1 66.1 100 105 A L E -BE 29 92A 0 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.4 -0.866 23.2-166.0 -96.6 131.5 40.3 14.0 67.8 101 106 A V E -BE 28 91A 1 -73,-2.8 -73,-2.5 -2,-0.5 2,-0.4 -0.978 8.9-176.4-122.7 128.7 42.4 17.1 67.0 102 107 A L E -BE 27 90A 0 -12,-2.7 -12,-2.7 -2,-0.4 2,-0.5 -0.994 7.5-163.6-125.0 128.7 46.1 17.4 67.7 103 108 A V E +BE 26 89A 0 -77,-2.5 -78,-2.3 -2,-0.4 -77,-1.7 -0.955 23.8 169.7-110.0 128.1 48.1 20.6 67.0 104 109 A F E - 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