==== 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 HYDROLASE 11-JAN-07 2OIK . COMPND 2 MOLECULE: HISTIDINE TRIAD (HIT) PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 558 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 64.0 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 . 100 17.9 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 . 0 0.0 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 . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 4 0 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 2 8 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 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 S 0 0 78 0, 0.0 43,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -72.1 28.3 37.9 49.9 2 7 A F - 0 0 98 41,-0.2 2,-0.7 42,-0.1 41,-0.1 -0.942 360.0-163.1-141.3 109.6 29.1 39.9 46.8 3 8 A H > - 0 0 39 -2,-0.3 3,-2.0 418,-0.2 6,-0.3 -0.892 15.9-146.8 -91.4 113.7 32.3 39.4 44.7 4 9 A K T 3 S+ 0 0 70 -2,-0.7 -1,-0.1 1,-0.3 417,-0.0 0.701 97.8 48.9 -54.2 -21.6 32.6 42.5 42.5 5 10 A N T 3 S+ 0 0 169 4,-0.0 2,-0.6 3,-0.0 -1,-0.3 0.379 85.3 100.5-104.4 4.7 34.2 40.3 39.8 6 11 A C X> - 0 0 13 -3,-2.0 4,-2.0 1,-0.1 3,-1.7 -0.824 64.2-148.4 -89.5 117.8 31.6 37.4 39.7 7 12 A E H 3> S+ 0 0 63 -2,-0.6 4,-1.6 1,-0.3 -1,-0.1 0.784 98.9 54.9 -57.9 -29.5 29.2 37.8 36.8 8 13 A L H 34 S+ 0 0 13 2,-0.2 -1,-0.3 1,-0.2 80,-0.0 0.614 109.4 46.3 -84.7 -10.4 26.4 36.2 38.8 9 14 A C H <4 S+ 0 0 22 -3,-1.7 -2,-0.2 -6,-0.3 -1,-0.2 0.779 122.6 36.4 -85.1 -34.0 26.9 38.8 41.6 10 15 A T H < S+ 0 0 71 -4,-2.0 2,-0.3 -7,-0.2 -2,-0.2 0.543 116.4 47.2-102.1 -11.4 27.0 41.6 39.2 11 16 A T S < S- 0 0 64 -4,-1.6 -1,-0.0 -5,-0.2 -5,-0.0 -0.955 71.2-126.9-135.0 152.1 24.5 40.6 36.5 12 17 A A - 0 0 43 -2,-0.3 -1,-0.1 1,-0.1 28,-0.1 0.928 41.6-136.8 -56.7 -47.2 20.9 39.3 36.3 13 18 A G - 0 0 24 -3,-0.1 2,-0.3 3,-0.0 13,-0.1 0.402 66.9 -24.9 103.7 1.9 22.1 36.4 34.1 14 19 A G S S- 0 0 33 14,-0.1 2,-0.5 11,-0.1 14,-0.2 -0.914 107.5 -28.3 147.3-174.3 19.2 36.6 31.6 15 20 A E E -A 27 0A 77 12,-1.9 12,-2.3 -2,-0.3 2,-0.3 -0.609 68.1-123.8 -74.9 120.6 15.6 37.8 31.6 16 21 A I E +A 26 0A 57 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.522 36.1 170.6 -72.6 124.7 14.3 37.5 35.1 17 22 A L E - 0 0 15 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.671 67.2 -3.1-102.1 -31.4 11.2 35.3 35.2 18 23 A W E +A 25 0A 26 7,-1.3 7,-2.8 116,-0.1 -1,-0.4 -0.969 65.3 174.5-158.8 150.2 10.8 34.9 39.0 19 24 A Q E +A 24 0A 116 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.979 8.7 169.8-159.3 157.2 12.6 35.9 42.1 20 25 A D - 0 0 48 3,-2.6 -2,-0.0 -2,-0.3 22,-0.0 -0.758 57.1 -74.3-142.9-167.3 12.6 35.9 45.8 21 26 A A S S+ 0 0 98 -2,-0.2 21,-0.1 1,-0.2 3,-0.1 0.901 127.3 41.9 -61.5 -44.5 15.0 36.7 48.6 22 27 A L S S- 0 0 28 1,-0.1 20,-2.4 20,-0.1 21,-0.5 0.841 123.4 -13.0 -73.3 -38.4 17.0 33.5 48.2 23 28 A C E - B 0 41A 0 18,-0.3 -3,-2.6 19,-0.1 2,-0.3 -0.934 50.4-131.0-157.3 173.1 17.2 33.2 44.4 24 29 A R E -AB 19 40A 21 16,-2.4 16,-3.1 -2,-0.3 2,-0.4 -0.978 12.3-142.6-139.6 151.6 16.2 34.2 40.9 25 30 A V E -AB 18 39A 0 -7,-2.8 -8,-3.3 -2,-0.3 -7,-1.3 -0.962 24.2-177.6-113.8 130.4 15.1 32.3 37.8 26 31 A V E -AB 16 38A 0 12,-2.5 12,-2.2 -2,-0.4 2,-0.6 -0.929 29.4-127.5-128.3 149.3 16.2 33.6 34.4 27 32 A H E -AB 15 37A 7 -12,-2.3 -12,-1.9 -2,-0.3 2,-0.5 -0.894 27.2-148.0 -90.9 121.9 15.7 32.7 30.7 28 33 A V - 0 0 16 8,-2.5 2,-1.9 -2,-0.6 8,-0.3 -0.805 13.3-132.5 -88.4 126.1 19.1 32.4 29.2 29 34 A E + 0 0 147 -2,-0.5 2,-0.5 6,-0.1 8,-0.1 -0.519 40.0 165.6 -88.7 83.1 18.8 33.5 25.6 30 35 A N > - 0 0 52 -2,-1.9 3,-0.9 3,-0.5 6,-0.2 -0.842 33.3-147.1-100.5 121.2 20.7 30.6 24.0 31 36 A Q T 3 S+ 0 0 99 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.751 99.0 41.7 -60.6 -25.5 20.3 30.3 20.2 32 37 A D T 3 S+ 0 0 40 1,-0.2 71,-0.4 86,-0.1 -1,-0.2 0.528 119.9 42.9 -97.5 -13.1 20.5 26.5 20.2 33 38 A Y X - 0 0 7 -3,-0.9 3,-1.7 69,-0.1 -3,-0.5 -0.570 69.8-170.0-137.3 72.0 18.4 25.9 23.4 34 39 A P T 3 S+ 0 0 21 0, 0.0 3,-0.1 0, 0.0 -5,-0.1 -0.404 80.3 29.9 -56.8 137.7 15.3 28.1 23.5 35 40 A G T 3 S+ 0 0 0 1,-0.3 2,-0.4 -7,-0.2 39,-0.1 0.456 79.1 148.6 89.4 -1.9 13.7 27.7 27.0 36 41 A F < - 0 0 2 -3,-1.7 -8,-2.5 -8,-0.3 -1,-0.3 -0.570 26.7-176.9 -63.8 120.1 17.1 27.1 28.7 37 42 A C E -BC 27 95A 0 58,-2.1 58,-2.8 -2,-0.4 2,-0.4 -0.870 17.4-150.7-120.0 158.3 16.6 28.6 32.2 38 43 A R E -BC 26 94A 61 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.6 -0.990 8.8-149.4-129.8 138.2 18.9 29.1 35.2 39 44 A V E -BC 25 93A 0 54,-2.2 54,-2.5 -2,-0.4 2,-0.5 -0.951 26.7-168.2-100.2 112.1 18.1 29.2 39.0 40 45 A I E -BC 24 92A 0 -16,-3.1 -16,-2.4 -2,-0.6 52,-0.2 -0.912 20.2-128.9-110.2 122.7 20.7 31.5 40.4 41 46 A L E -B 23 0A 0 50,-2.1 -18,-0.3 -2,-0.5 4,-0.1 -0.490 18.6-136.9 -62.2 136.3 21.3 31.9 44.2 42 47 A N S S+ 0 0 48 -20,-2.4 -19,-0.1 -2,-0.2 -1,-0.1 0.972 83.2 56.7 -67.8 -46.2 21.3 35.6 45.0 43 48 A R S S- 0 0 99 -21,-0.5 2,-1.0 1,-0.1 -41,-0.2 -0.372 97.8 -99.0 -89.4 162.6 24.2 35.5 47.4 44 49 A H + 0 0 53 -43,-1.7 2,-0.4 46,-0.1 46,-0.1 -0.693 57.4 150.1 -85.4 105.1 27.7 34.3 46.5 45 50 A V - 0 0 17 -2,-1.0 46,-3.1 1,-0.1 -4,-0.1 -0.990 35.5-150.1-135.2 139.3 28.1 30.7 47.8 46 51 A K S S+ 0 0 78 -2,-0.4 2,-0.3 44,-0.2 -1,-0.1 0.906 71.9 23.9 -78.2 -48.6 30.3 28.1 46.1 47 52 A E > - 0 0 4 44,-0.1 3,-1.2 1,-0.1 4,-0.3 -0.848 68.2-123.4-122.3 154.4 28.7 24.7 46.8 48 53 A X G > S+ 0 0 1 -2,-0.3 3,-1.5 1,-0.2 8,-0.1 0.841 115.0 59.0 -62.2 -33.4 25.2 23.5 47.6 49 54 A S G 3 S+ 0 0 0 1,-0.3 -1,-0.2 7,-0.0 427,-0.0 0.483 91.5 68.3 -83.8 1.6 26.6 21.9 50.7 50 55 A D G < S+ 0 0 41 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.570 90.6 82.5 -78.2 -16.7 27.8 25.4 51.9 51 56 A L S < S- 0 0 2 -3,-1.5 425,-0.0 -4,-0.3 -3,-0.0 -0.514 92.5-102.9 -89.0 154.3 24.1 26.2 52.3 52 57 A R >> - 0 0 86 -2,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.509 39.0-108.4 -69.2 148.4 21.9 25.4 55.4 53 58 A P H 3> S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.826 119.6 53.9 -45.3 -39.0 19.7 22.4 54.7 54 59 A A H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.845 110.0 46.8 -68.1 -33.3 16.6 24.7 54.6 55 60 A E H <> S+ 0 0 39 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.864 110.3 52.9 -73.4 -40.1 18.1 26.9 52.0 56 61 A R H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.928 112.0 46.8 -54.9 -52.0 19.2 23.8 49.9 57 62 A D H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 110.8 49.3 -59.9 -49.5 15.6 22.6 50.0 58 63 A H H X S+ 0 0 63 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.943 112.5 49.3 -56.5 -47.5 14.0 25.9 49.1 59 64 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.908 110.2 50.4 -59.3 -43.2 16.4 26.3 46.2 60 65 A X H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.865 105.3 56.7 -69.1 -33.4 15.7 22.7 45.0 61 66 A L H X S+ 0 0 98 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.875 108.0 48.2 -62.1 -34.4 11.9 23.4 45.1 62 67 A V H X S+ 0 0 2 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.918 110.3 52.2 -69.6 -42.5 12.5 26.3 42.8 63 68 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 110.9 46.2 -59.6 -45.7 14.6 24.1 40.5 64 69 A F H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.840 110.5 52.9 -70.3 -30.1 11.9 21.5 40.2 65 70 A A H X S+ 0 0 7 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.883 110.8 48.3 -68.9 -35.6 9.2 24.1 39.6 66 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.887 109.0 52.9 -74.6 -40.3 11.3 25.4 36.8 67 72 A E H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.961 110.7 47.7 -52.2 -51.6 11.8 21.9 35.4 68 73 A E H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 112.3 49.0 -57.6 -43.4 8.0 21.4 35.4 69 74 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.898 111.8 47.8 -63.8 -44.3 7.4 24.8 33.7 70 75 A V H X>S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.903 111.7 51.2 -63.6 -42.4 10.0 24.1 31.0 71 76 A R H X5S+ 0 0 72 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.957 114.3 44.2 -56.5 -50.7 8.5 20.6 30.4 72 77 A E H <5S+ 0 0 115 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.887 122.6 34.7 -61.9 -47.1 5.0 22.1 30.1 73 78 A V H <5S+ 0 0 37 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.906 130.2 30.1 -80.5 -43.2 5.9 25.1 27.8 74 79 A X H <5S- 0 0 28 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.683 83.8-149.5 -90.0 -21.9 8.7 23.5 25.7 75 80 A R << - 0 0 117 -4,-2.0 -4,-0.2 -5,-0.5 -3,-0.1 0.943 31.0-172.6 45.3 61.4 7.5 19.8 25.7 76 81 A P - 0 0 21 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.322 36.5-125.6 -81.9 164.5 11.1 18.6 25.4 77 82 A D S S+ 0 0 53 21,-1.7 2,-0.3 1,-0.3 22,-0.2 0.842 93.2 1.4 -73.2 -33.9 12.4 15.1 24.9 78 83 A K E -D 98 0A 7 20,-2.2 20,-3.5 2,-0.0 2,-0.4 -0.993 64.3-135.0-152.4 150.1 14.5 15.3 28.0 79 84 A I E -D 97 0A 2 -2,-0.3 2,-0.5 18,-0.2 109,-0.1 -0.861 16.7-161.2 -99.7 134.1 15.4 17.7 30.8 80 85 A N E -D 96 0A 0 16,-2.2 16,-3.4 -2,-0.4 2,-0.4 -0.988 6.2-172.2-114.1 132.9 19.0 18.2 32.0 81 86 A L E +DE 95 223A 2 142,-2.7 142,-2.7 -2,-0.5 2,-0.3 -0.975 13.4 162.2-115.6 139.4 19.8 19.7 35.4 82 87 A A E -DE 94 222A 0 12,-1.6 12,-3.2 -2,-0.4 2,-0.4 -0.992 30.1-167.4-159.5 142.3 23.3 20.7 36.5 83 88 A S E + E 0 221A 5 138,-2.6 138,-2.8 -2,-0.3 10,-0.1 -0.962 33.1 146.8-126.3 104.8 25.2 22.8 39.0 84 89 A L + 0 0 10 -2,-0.4 135,-0.1 8,-0.4 -1,-0.1 0.759 16.6 175.4-106.2 -75.9 28.8 22.9 37.8 85 90 A G + 0 0 8 5,-0.1 135,-0.1 7,-0.1 6,-0.0 0.693 30.4 133.8 79.8 13.7 30.3 26.3 38.7 86 91 A N S S+ 0 0 16 1,-0.2 161,-0.1 2,-0.1 -1,-0.1 0.868 84.0 27.9 -67.4 -38.6 33.9 25.6 37.5 87 92 A X S S+ 0 0 147 1,-0.3 -1,-0.2 159,-0.1 160,-0.1 0.839 137.4 28.3 -88.8 -35.2 34.2 28.9 35.7 88 93 A T S S- 0 0 42 2,-0.1 2,-2.3 -82,-0.1 -1,-0.3 -0.861 74.1-160.8-128.5 92.7 31.8 30.9 37.9 89 94 A P + 0 0 50 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.362 54.8 111.1 -75.6 61.8 31.8 29.3 41.5 90 95 A H S S- 0 0 1 -2,-2.3 -44,-0.2 -46,-0.1 -46,-0.1 -0.973 82.4 -97.7-139.3 116.2 28.5 30.9 42.6 91 96 A V + 0 0 3 -46,-3.1 -50,-2.1 -2,-0.4 2,-0.3 -0.004 60.4 148.2 -47.7 123.4 25.7 28.4 43.0 92 97 A H E -C 40 0A 18 -52,-0.2 2,-0.5 2,-0.0 -8,-0.4 -0.936 34.4-141.5-159.2 140.5 23.4 28.3 39.9 93 98 A W E -C 39 0A 0 -54,-2.5 -54,-2.2 -2,-0.3 2,-0.4 -0.933 8.7-145.7-111.2 126.4 21.4 25.5 38.3 94 99 A H E -CD 38 82A 12 -12,-3.2 -12,-1.6 -2,-0.5 2,-0.5 -0.732 11.5-169.0 -86.0 132.7 21.0 25.0 34.5 95 100 A V E -CD 37 81A 0 -58,-2.8 -58,-2.1 -2,-0.4 -14,-0.2 -0.930 16.9-175.3-122.2 103.9 17.5 23.6 33.6 96 101 A I E - 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