==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JUN-11 2LE1 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR S.V.S.R.K.PULAVARTI,A.ELETSKY,J.L.MILLS,D.K.SUKUMARAN,D.WANG . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 77.5 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 . 45 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 24 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.6 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 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 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 0 3 0 1 0 1 0 1 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 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 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 0 150 0, 0.0 121,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.6 -5.9 13.6 9.1 2 2 A A + 0 0 42 1,-0.1 109,-1.8 111,-0.1 2,-0.6 0.594 360.0 74.8 -73.4 -14.5 -2.1 13.4 8.3 3 3 A T E S-A 110 0A 75 107,-0.2 2,-0.3 2,-0.0 107,-0.3 -0.909 73.0-165.7-104.0 109.1 -2.7 9.6 9.0 4 4 A L E +A 109 0A 10 105,-2.2 105,-2.1 -2,-0.6 2,-0.3 -0.753 9.9 176.5 -95.4 140.6 -4.5 7.8 6.2 5 5 A R E +A 108 0A 173 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.932 1.1 173.4-146.2 123.2 -6.1 4.3 6.6 6 6 A R E -A 107 0A 72 101,-2.1 101,-2.0 -2,-0.3 2,-0.3 -0.952 8.3-166.4-128.8 150.3 -8.2 2.3 4.0 7 7 A S E -A 106 0A 66 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.982 0.3-164.6-139.5 145.0 -9.6 -1.2 4.1 8 8 A V E -A 105 0A 13 97,-1.0 97,-1.8 -2,-0.3 2,-0.7 -0.977 22.7-123.2-136.2 144.9 -11.1 -3.6 1.4 9 9 A E E -A 104 0A 178 -2,-0.3 2,-0.5 95,-0.2 95,-0.2 -0.792 29.8-168.2 -90.2 109.2 -13.1 -6.9 1.4 10 10 A V E -A 103 0A 3 93,-2.3 93,-1.9 -2,-0.7 2,-1.8 -0.872 22.8-137.6-101.2 127.2 -11.3 -9.6 -0.6 11 11 A A S S+ 0 0 10 127,-0.5 134,-0.3 -2,-0.5 133,-0.3 -0.476 78.8 66.9 -79.5 65.6 -13.1 -12.9 -1.5 12 12 A A S S- 0 0 2 -2,-1.8 -2,-0.2 132,-0.1 87,-0.1 -0.950 93.8 -75.1-172.0 155.1 -10.0 -15.1 -0.6 13 13 A P >> - 0 0 39 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.400 44.7-120.7 -56.1 139.1 -7.7 -16.4 2.3 14 14 A A H 3> S+ 0 0 6 85,-0.3 4,-1.8 1,-0.2 5,-0.1 0.767 108.2 61.1 -53.6 -38.5 -5.2 -13.6 3.6 15 15 A A H 3> S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.872 101.7 52.4 -61.1 -42.2 -2.0 -15.7 2.8 16 16 A D H <4 S+ 0 0 90 -3,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.832 110.1 49.4 -60.2 -36.2 -2.9 -15.8 -0.9 17 17 A V H >X S+ 0 0 0 -4,-1.0 4,-2.7 2,-0.2 3,-0.8 0.828 105.9 55.4 -73.6 -35.7 -3.2 -12.0 -0.9 18 18 A W H 3X S+ 0 0 22 -4,-1.8 4,-1.6 1,-0.2 5,-0.3 0.839 100.0 60.8 -64.6 -34.3 0.2 -11.6 0.9 19 19 A T H 3< S+ 0 0 88 -4,-1.6 -1,-0.2 3,-0.1 -2,-0.2 0.715 115.0 36.6 -58.8 -23.9 1.7 -13.7 -2.0 20 20 A L H <4 S+ 0 0 12 -3,-0.8 -2,-0.2 -4,-0.3 9,-0.2 0.892 127.5 29.0 -95.0 -58.5 0.4 -10.7 -4.2 21 21 A V H >< S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 -3,-0.2 0.827 109.2 70.7 -73.0 -34.1 0.9 -7.4 -2.1 22 22 A G T 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.1 0.827 76.9 74.2 -58.7 -45.3 4.0 -8.6 -0.1 23 23 A D T 3 S- 0 0 36 -5,-0.3 2,-2.2 1,-0.2 -1,-0.2 0.650 72.4-163.0 -45.8 -31.2 6.7 -8.7 -2.8 24 24 A F S X S+ 0 0 0 -3,-1.1 3,-0.9 1,-0.2 -1,-0.2 -0.408 85.4 56.0 73.9 -59.7 7.0 -4.8 -2.8 25 25 A S G > S+ 0 0 27 -2,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.871 104.2 54.0 -59.6 -38.2 8.9 -5.0 -6.2 26 26 A A G > + 0 0 13 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.026 65.7 119.6 -99.6 27.2 6.0 -6.9 -7.9 27 27 A I G X> + 0 0 4 -3,-0.9 4,-2.6 1,-0.3 3,-1.5 0.738 62.1 75.4 -62.7 -23.0 3.2 -4.4 -7.0 28 28 A H G <4 S+ 0 0 105 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.481 79.7 74.8 -68.8 -3.7 2.6 -4.1 -10.8 29 29 A R G <4 S+ 0 0 112 -3,-1.6 -1,-0.2 -9,-0.2 -2,-0.2 0.693 120.5 3.6 -76.6 -24.4 0.8 -7.6 -10.6 30 30 A W T <4 S+ 0 0 4 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.618 112.7 80.8-129.6 -37.6 -2.3 -6.0 -8.9 31 31 A H >< - 0 0 6 -4,-2.6 3,-1.1 1,-0.1 -1,-0.2 -0.720 56.3-164.9 -90.1 108.5 -2.0 -2.2 -8.6 32 32 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.716 85.1 59.8 -69.4 -23.6 -3.0 -0.7 -12.1 33 33 A Q T 3 S+ 0 0 88 96,-0.2 2,-0.8 2,-0.1 -5,-0.1 0.613 79.3 102.6 -80.8 -15.7 -1.5 2.9 -11.4 34 34 A V < - 0 0 13 -3,-1.1 2,-1.1 -7,-0.2 -3,-0.0 -0.630 59.0-162.5 -68.3 106.7 2.0 1.3 -10.9 35 35 A S - 0 0 90 -2,-0.8 19,-0.9 1,-0.2 -1,-0.1 -0.408 62.8 -69.5 -89.1 54.9 3.9 2.1 -14.2 36 36 A A - 0 0 59 -2,-1.1 18,-1.9 17,-0.2 2,-0.2 0.937 57.7-134.7 60.1 105.2 6.5 -0.7 -13.5 37 37 A P E -B 53 0A 20 0, 0.0 2,-0.6 0, 0.0 16,-0.3 -0.595 8.4-129.3 -90.3 148.8 9.0 0.1 -10.5 38 38 A T E -B 52 0A 70 14,-1.2 14,-1.6 -2,-0.2 2,-0.7 -0.864 19.0-144.4-101.0 115.1 12.8 -0.5 -10.6 39 39 A L E -B 51 0A 53 -2,-0.6 2,-0.5 12,-0.2 12,-0.2 -0.682 15.1-160.5 -89.4 112.3 14.1 -2.5 -7.6 40 40 A R E -B 50 0A 109 10,-2.2 10,-1.6 -2,-0.7 -2,-0.0 -0.853 41.4 -52.1-102.5 123.1 17.6 -1.2 -6.4 41 41 A G S S+ 0 0 58 -2,-0.5 2,-1.8 8,-0.2 9,-0.2 0.342 103.8 65.0 43.3-178.6 19.9 -3.5 -4.3 42 42 A A S S- 0 0 57 7,-0.1 -1,-0.1 6,-0.1 3,-0.1 -0.060 104.1 -94.3 70.1 -31.5 19.2 -5.4 -0.9 43 43 A S > - 0 0 74 -2,-1.8 3,-1.6 7,-0.1 6,-0.6 0.354 34.7 -99.6 83.1 137.6 16.5 -7.8 -2.5 44 44 A P T 3 S+ 0 0 30 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.597 123.3 51.2 -68.1 -14.3 12.7 -6.9 -2.3 45 45 A H T 3 S+ 0 0 80 -21,-0.1 25,-0.1 -3,-0.1 23,-0.1 0.573 96.6 84.4 -92.2 -14.3 12.0 -9.3 0.7 46 46 A T S X S- 0 0 71 -3,-1.6 3,-1.5 21,-0.1 2,-0.5 -0.803 93.8-107.4 -95.5 124.0 15.0 -7.8 2.7 47 47 A P T 3 S+ 0 0 70 0, 0.0 19,-0.2 0, 0.0 -2,-0.1 -0.318 105.2 45.3 -48.5 98.4 14.4 -4.5 4.8 48 48 A G T 3 S+ 0 0 11 -2,-0.5 -6,-0.1 1,-0.3 -5,-0.1 -0.018 71.4 128.3 159.7 -39.2 16.2 -1.8 2.6 49 49 A A < - 0 0 0 -3,-1.5 16,-2.8 -6,-0.6 -1,-0.3 -0.079 44.1-144.5 -55.6 139.1 15.3 -2.3 -1.1 50 50 A E E -BC 40 64A 50 -10,-1.6 -10,-2.2 14,-0.2 2,-0.4 -0.748 4.7-155.2-103.4 149.2 14.1 0.8 -3.2 51 51 A R E -BC 39 63A 6 12,-1.3 12,-2.2 -2,-0.3 2,-0.7 -0.980 4.6-162.6-127.0 119.8 11.5 0.8 -6.0 52 52 A V E -BC 38 62A 14 -14,-1.6 -14,-1.2 -2,-0.4 10,-0.2 -0.866 16.0-140.0-107.2 102.3 11.6 3.6 -8.7 53 53 A F E S-BC 37 61A 27 8,-2.4 2,-1.5 -2,-0.7 8,-0.7 -0.428 82.3 -10.5 -64.0 123.0 8.3 3.9 -10.7 54 54 A G S S- 0 0 36 -18,-1.9 -1,-0.2 -19,-0.9 6,-0.1 -0.486 77.4-157.6 85.1 -66.3 9.0 4.6 -14.4 55 55 A A S S+ 0 0 54 -2,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.769 80.8 52.5 60.6 35.1 12.7 5.3 -13.9 56 56 A G S S+ 0 0 77 -3,-0.2 2,-0.3 3,-0.0 -2,-0.1 0.164 91.1 85.4 175.8 37.8 13.0 7.3 -17.2 57 57 A T S S- 0 0 73 1,-0.0 3,-0.2 0, 0.0 -2,-0.1 -0.914 82.3-107.5-147.2 162.4 10.3 10.0 -17.1 58 58 A E S S+ 0 0 192 -2,-0.3 2,-0.5 1,-0.2 -1,-0.0 0.714 113.4 49.5 -67.6 -23.4 9.7 13.6 -15.8 59 59 A E S S+ 0 0 180 2,-0.0 -1,-0.2 -6,-0.0 2,-0.2 -0.827 74.3 151.8-122.1 90.2 7.3 12.1 -13.0 60 60 A E - 0 0 79 -2,-0.5 2,-0.4 -3,-0.2 -6,-0.1 -0.633 33.1-142.5-104.3 171.2 8.9 9.2 -11.1 61 61 A L E -C 53 0A 35 -8,-0.7 -8,-2.4 -2,-0.2 2,-0.7 -0.949 8.6-161.4-136.7 114.2 8.3 7.9 -7.5 62 62 A V E +CD 52 81A 16 19,-1.3 19,-1.4 -2,-0.4 2,-0.2 -0.885 17.1 175.4 -99.2 113.8 11.2 6.5 -5.4 63 63 A E E -C 51 0A 10 -12,-2.2 -12,-1.3 -2,-0.7 2,-0.3 -0.682 13.6-155.2-107.2 167.2 10.1 4.3 -2.4 64 64 A R E -CD 50 78A 89 14,-2.5 14,-1.9 -14,-0.3 2,-0.4 -0.948 19.2-123.1-151.1 125.2 12.3 2.3 0.1 65 65 A L E - D 0 77A 0 -16,-2.8 12,-0.3 -2,-0.3 -17,-0.1 -0.533 25.6-180.0 -69.1 116.4 11.4 -0.8 2.2 66 66 A V E - 0 0 31 10,-1.6 2,-0.3 -2,-0.4 11,-0.2 0.920 66.6 -17.1 -82.2 -52.0 12.0 0.0 6.0 67 67 A E E - D 0 76A 64 9,-1.8 9,-2.2 -20,-0.1 2,-0.4 -0.984 60.0-154.7-156.4 152.7 11.0 -3.4 7.5 68 68 A R E - D 0 75A 27 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.995 6.4-166.4-142.5 131.7 9.1 -6.5 6.4 69 69 A D E >> - D 0 74A 56 5,-2.5 5,-1.5 -2,-0.4 4,-0.6 -0.935 5.9-179.8-119.1 102.6 7.1 -9.3 8.2 70 70 A E T 45S+ 0 0 86 -2,-0.5 3,-0.5 2,-0.2 -1,-0.2 0.945 86.2 38.7 -64.7 -52.7 6.3 -12.4 6.0 71 71 A S T 45S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.819 118.7 48.3 -71.5 -33.4 4.5 -14.5 8.7 72 72 A A T 45S- 0 0 56 2,-0.1 -1,-0.2 22,-0.0 -2,-0.2 0.561 102.6-131.0 -83.3 -10.4 2.7 -11.4 10.2 73 73 A R T <5 + 0 0 74 -4,-0.6 22,-1.2 -3,-0.5 2,-0.5 0.787 61.6 139.9 61.2 34.4 1.6 -10.1 6.7 74 74 A R E < -DE 69 94A 69 -5,-1.5 -5,-2.5 20,-0.2 2,-0.5 -0.923 30.3-177.1-119.1 112.2 2.9 -6.6 7.7 75 75 A L E -DE 68 93A 3 18,-2.1 18,-1.5 -2,-0.5 2,-0.5 -0.912 2.9-172.8-118.3 108.7 4.9 -4.6 5.0 76 76 A V E +DE 67 92A 3 -9,-2.2 -9,-1.8 -2,-0.5 -10,-1.6 -0.878 15.5 151.5-108.5 127.8 6.4 -1.1 6.1 77 77 A Y E -DE 65 91A 10 14,-2.3 14,-2.4 -2,-0.5 2,-0.3 -0.755 23.5-150.8-135.9-179.3 8.0 1.3 3.6 78 78 A T E -D 64 0A 29 -14,-1.9 -14,-2.5 -2,-0.2 12,-0.1 -0.941 24.7-115.3-146.0 164.3 8.7 5.1 3.1 79 79 A M E + 0 0 19 -2,-0.3 10,-0.2 -16,-0.2 -16,-0.2 -0.893 26.8 178.5-103.5 97.1 9.1 7.6 0.2 80 80 A P E S+ 0 0 77 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 0.606 88.8 32.0 -71.1 -13.4 12.9 8.9 0.4 81 81 A D E S+D 62 0A 91 -19,-1.4 -19,-1.3 -3,-0.1 -3,-0.0 -0.661 85.5 174.9-140.6 79.4 12.0 11.0 -2.8 82 82 A P - 0 0 46 0, 0.0 4,-0.2 0, 0.0 -21,-0.1 -0.734 31.0-150.5 -90.2 136.7 8.3 12.0 -2.7 83 83 A P S S+ 0 0 86 0, 0.0 -22,-0.0 0, 0.0 0, 0.0 0.600 81.0 84.3 -75.5 -10.9 6.6 14.3 -5.3 84 84 A F S S- 0 0 62 1,-0.0 2,-1.3 37,-0.0 33,-0.0 -0.803 96.4-108.4 -94.0 131.5 4.1 15.5 -2.5 85 85 A P S S+ 0 0 95 0, 0.0 29,-0.5 0, 0.0 2,-0.3 -0.434 70.9 128.7 -63.9 88.9 5.3 18.3 -0.1 86 86 A I E - F 0 113A 27 -2,-1.3 27,-0.2 -4,-0.2 3,-0.1 -0.887 49.2-149.9-134.9 165.2 5.8 16.2 3.1 87 87 A T E S+ 0 0 113 25,-1.6 2,-0.6 -2,-0.3 -1,-0.1 0.801 82.4 17.1-100.7 -76.9 8.7 15.8 5.7 88 88 A N E S- 0 0 101 24,-0.1 24,-1.3 -10,-0.0 2,-0.3 -0.896 71.2-166.3-106.8 110.3 8.7 12.2 7.2 89 89 A H E + F 0 111A 19 -2,-0.6 2,-0.3 -10,-0.2 22,-0.2 -0.702 10.5 172.7 -89.2 147.3 6.6 9.6 5.3 90 90 A R E + F 0 110A 94 20,-1.8 20,-2.7 -2,-0.3 2,-0.3 -0.903 3.3 175.5-153.3 125.6 5.7 6.1 6.8 91 91 A A E -EF 77 109A 0 -14,-2.4 -14,-2.3 -2,-0.3 2,-0.3 -0.988 8.3-164.7-137.6 146.9 3.3 3.5 5.2 92 92 A V E -EF 76 108A 15 16,-1.8 16,-2.5 -2,-0.3 2,-0.5 -0.962 12.1-153.0-131.9 145.7 2.2 -0.1 6.1 93 93 A L E +EF 75 107A 4 -18,-1.5 -18,-2.1 -2,-0.3 2,-0.5 -0.963 23.1 172.5-117.6 108.8 0.4 -3.0 4.2 94 94 A E E -EF 74 106A 86 12,-2.5 12,-2.8 -2,-0.5 2,-0.8 -0.950 20.1-158.8-124.0 112.7 -1.5 -5.4 6.6 95 95 A V E - 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