==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-MAR-11 3R0U . COMPND 2 MOLECULE: ENZYME OF ENOLASE SUPERFAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA PHILOMIRAGIA SUBSP. PHILOM . AUTHOR M.W.VETTING,B.HILLERICH,R.D.SEIDEL,W.D.ZENCHECK,R.TORO,H.J.I . 726 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 9.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.0 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 7 2 0 0 0 4 4 1 1 5 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 2 3 3 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 . 3 0 2 2 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 1 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 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 2 A V 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.3 67.5 89.8 36.7 2 3 A S - 0 0 22 37,-0.1 78,-2.8 39,-0.0 79,-0.5 -0.629 360.0-169.4 -83.4 138.1 67.5 88.0 40.1 3 4 A K B -A 79 0A 71 -2,-0.3 37,-1.8 76,-0.3 2,-0.5 -0.935 27.0-115.5-124.6 147.1 70.0 89.0 42.8 4 5 A I E +B 39 0B 0 74,-2.3 73,-3.2 71,-0.4 74,-0.4 -0.707 38.8 166.4 -80.6 124.4 70.8 87.3 46.1 5 6 A I E + 0 0 83 33,-2.7 2,-0.3 -2,-0.5 34,-0.2 0.429 55.5 36.0-123.6 0.7 69.8 89.6 48.9 6 7 A D E -B 38 0B 62 32,-1.4 32,-2.6 69,-0.1 2,-0.4 -0.992 50.6-173.0-152.2 148.7 69.9 87.4 52.0 7 8 A I E +B 37 0B 24 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.993 11.0 173.9-138.0 130.0 71.9 84.5 53.5 8 9 A K E -B 36 0B 70 28,-2.3 28,-2.6 -2,-0.4 2,-0.3 -0.933 11.3-157.4-128.4 157.5 71.1 82.6 56.7 9 10 A T E -B 35 0B 25 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.952 7.6-176.5-130.2 159.2 72.7 79.5 58.3 10 11 A S E -B 34 0B 22 24,-2.1 24,-3.5 -2,-0.3 2,-0.4 -0.985 23.9-127.7-152.9 143.9 71.5 76.9 60.7 11 12 A I E -B 33 0B 65 -2,-0.3 2,-0.5 22,-0.2 22,-0.2 -0.749 24.8-167.0 -93.1 132.2 73.1 74.0 62.4 12 13 A I E -B 32 0B 20 20,-2.8 20,-2.3 -2,-0.4 2,-0.5 -0.987 4.3-168.5-125.2 125.2 71.2 70.7 62.0 13 14 A K E -B 31 0B 125 -2,-0.5 18,-0.2 18,-0.2 -2,-0.0 -0.963 5.7-166.8-114.7 129.8 72.0 67.6 64.2 14 15 A I E -B 30 0B 10 16,-1.8 16,-2.6 -2,-0.5 2,-0.2 -0.962 19.0-126.5-119.5 128.7 70.5 64.3 63.1 15 16 A P E -B 29 0B 96 0, 0.0 313,-0.4 0, 0.0 2,-0.3 -0.520 21.8-135.4 -73.0 142.6 70.4 61.3 65.4 16 17 A L E - 0 0 16 12,-2.8 311,-0.2 -2,-0.2 310,-0.1 -0.691 11.1-130.1 -93.6 151.8 71.9 58.0 64.0 17 18 A K E S+ 0 0 132 309,-3.0 2,-0.3 -2,-0.3 310,-0.1 0.739 93.4 11.2 -70.3 -26.6 70.2 54.6 64.5 18 19 A R E S- 0 0 99 308,-0.3 2,-0.2 -3,-0.0 -1,-0.1 -0.943 99.8 -79.5-144.2 164.6 73.4 53.0 65.7 19 20 A T E - 0 0 70 -2,-0.3 2,-0.6 1,-0.1 9,-0.2 -0.482 40.0-142.3 -74.0 134.4 76.8 54.4 66.8 20 21 A F E -B 27 0B 26 7,-2.6 7,-1.6 -2,-0.2 2,-0.5 -0.864 18.6-168.2-102.2 117.9 79.1 55.4 64.0 21 22 A I E +B 26 0B 79 -2,-0.6 118,-0.3 5,-0.2 5,-0.2 -0.928 8.7 175.0-115.8 122.9 82.8 54.6 64.7 22 23 A T - 0 0 59 3,-3.3 116,-0.0 -2,-0.5 0, 0.0 -0.446 51.5 -88.1-107.3-174.5 85.8 55.8 62.6 23 24 A A S S+ 0 0 108 1,-0.2 3,-0.1 -2,-0.2 433,-0.0 0.804 126.7 20.3 -63.6 -28.6 89.5 55.5 63.1 24 25 A V S S+ 0 0 35 1,-0.2 2,-0.3 432,-0.1 -1,-0.2 0.446 123.1 35.0-122.9 0.7 89.5 58.7 65.2 25 26 A R - 0 0 115 2,-0.0 -3,-3.3 29,-0.0 2,-0.4 -0.996 47.4-155.0-160.4 153.5 86.0 59.3 66.4 26 27 A S E +B 21 0B 73 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.989 26.8 160.3-132.3 137.5 82.7 57.9 67.7 27 28 A T E -B 20 0B 15 -7,-1.6 -7,-2.6 -2,-0.4 -2,-0.0 -0.992 38.9-151.7-155.1 154.8 79.3 59.6 67.5 28 29 A N E S+ 0 0 89 -2,-0.3 -12,-2.8 -9,-0.2 2,-0.3 0.132 82.0 47.4-109.9 17.2 75.6 59.0 67.6 29 30 A H E S-B 15 0B 56 -14,-0.3 2,-0.5 -9,-0.1 -9,-0.1 -0.972 73.9-119.3-149.6 166.4 74.7 62.0 65.4 30 31 A I E -B 14 0B 4 -16,-2.6 -16,-1.8 -2,-0.3 2,-0.5 -0.923 23.7-148.0-103.5 132.5 75.5 63.8 62.2 31 32 A D E +B 13 0B 18 -2,-0.5 20,-1.4 -18,-0.2 2,-0.3 -0.902 28.2 167.1 -97.5 122.0 76.6 67.4 62.4 32 33 A S E -BC 12 50B 1 -20,-2.3 -20,-2.8 -2,-0.5 2,-0.5 -0.974 28.8-147.6-131.2 153.0 75.5 69.6 59.4 33 34 A L E -BC 11 49B 0 16,-2.6 16,-2.2 -2,-0.3 2,-0.4 -0.977 17.0-160.0-112.1 132.9 75.3 73.2 58.5 34 35 A A E -BC 10 48B 1 -24,-3.5 -24,-2.1 -2,-0.5 2,-0.4 -0.825 1.6-159.2-105.5 147.1 72.6 74.4 56.3 35 36 A V E -BC 9 47B 0 12,-2.5 12,-1.9 -2,-0.4 2,-0.5 -0.977 1.5-159.7-124.8 141.7 72.6 77.6 54.3 36 37 A E E -BC 8 46B 1 -28,-2.6 -28,-2.3 -2,-0.4 2,-0.5 -0.985 3.9-165.8-119.6 125.1 69.6 79.5 52.8 37 38 A L E -BC 7 45B 0 8,-2.7 8,-2.4 -2,-0.5 2,-0.4 -0.945 7.6-158.1-106.0 133.1 70.1 81.9 50.0 38 39 A T E -BC 6 44B 14 -32,-2.6 -33,-2.7 -2,-0.5 -32,-1.4 -0.931 3.0-151.5-117.4 131.1 67.1 84.3 49.2 39 40 A L E > -B 4 0B 1 4,-2.3 3,-1.8 -2,-0.4 -35,-0.2 -0.547 31.4-109.2 -91.6 163.3 66.7 86.0 45.9 40 41 A D T 3 S+ 0 0 76 -37,-1.8 -36,-0.1 1,-0.3 -1,-0.1 0.489 118.1 61.4 -78.8 3.3 64.9 89.4 45.5 41 42 A N T 3 S- 0 0 80 -38,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.244 121.8-105.3-101.4 7.3 62.0 87.6 43.8 42 43 A G S < S+ 0 0 50 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.254 74.6 138.9 93.5 -13.7 61.4 85.6 47.0 43 44 A V - 0 0 38 -5,-0.1 -4,-2.3 1,-0.0 2,-0.4 -0.469 37.4-155.9 -68.1 133.0 62.8 82.2 45.7 44 45 A K E -C 38 0B 65 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.935 7.3-164.5-115.9 140.1 64.9 80.5 48.4 45 46 A G E -C 37 0B 0 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.4 -0.943 5.4-156.8-125.1 146.6 67.7 77.9 47.9 46 47 A Y E -C 36 0B 16 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.940 11.9-179.0-127.9 143.8 69.3 75.5 50.4 47 48 A G E -C 35 0B 0 -12,-1.9 -12,-2.5 -2,-0.4 2,-0.4 -0.974 8.8-163.9-135.3 147.9 72.5 73.6 50.7 48 49 A V E +C 34 0B 5 -2,-0.3 -14,-0.2 -14,-0.2 -2,-0.0 -0.998 10.8 175.1-135.4 132.3 73.5 71.2 53.5 49 50 A A E -C 33 0B 1 -16,-2.2 -16,-2.6 -2,-0.4 2,-0.1 -0.965 25.3-119.7-140.5 151.4 77.1 70.0 54.3 50 51 A P E -C 32 0B 2 0, 0.0 2,-0.5 0, 0.0 -18,-0.2 -0.437 13.3-134.9 -90.4 161.0 78.7 67.9 57.0 51 52 A A + 0 0 12 -20,-1.4 2,-1.4 -2,-0.1 9,-0.2 -0.657 35.1 165.0-111.6 72.1 81.5 69.0 59.4 52 53 A T >>> + 0 0 40 -2,-0.5 4,-2.7 1,-0.2 3,-1.6 -0.653 9.4 179.5 -95.2 87.0 83.8 65.9 59.2 53 54 A T H 3>5S+ 0 0 17 -2,-1.4 405,-2.4 1,-0.3 4,-0.9 0.850 72.3 59.8 -65.6 -33.1 86.8 67.5 60.8 54 55 A A H 345S+ 0 0 24 403,-0.3 -1,-0.3 -3,-0.2 403,-0.1 0.735 120.0 26.1 -67.9 -20.4 89.1 64.4 60.5 55 56 A I H <45S+ 0 0 36 -3,-1.6 -2,-0.2 3,-0.1 -1,-0.2 0.811 138.6 17.3-110.2 -50.1 88.7 64.3 56.7 56 57 A T H <5S- 0 0 1 -4,-2.7 41,-0.6 2,-0.1 42,-0.5 0.589 90.8-125.7-103.0 -8.9 88.0 67.8 55.4 57 58 A G << + 0 0 1 -4,-0.9 -4,-0.2 -5,-0.8 2,-0.1 0.416 61.2 143.8 80.6 -2.5 89.0 69.9 58.4 58 59 A D - 0 0 0 -6,-0.4 2,-0.3 -8,-0.1 -1,-0.3 -0.429 28.6-172.9 -71.0 144.4 85.6 71.6 58.5 59 60 A T > - 0 0 1 -3,-0.1 4,-2.4 -7,-0.1 5,-0.2 -0.951 33.7-121.9-126.2 153.4 83.9 72.5 61.7 60 61 A L H > S+ 0 0 7 -2,-0.3 4,-2.4 -9,-0.2 5,-0.2 0.909 115.5 49.1 -56.6 -44.8 80.3 73.9 62.1 61 62 A Q H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 364,-0.2 0.883 112.3 47.1 -65.4 -41.5 81.7 77.0 63.8 62 63 A G H > S+ 0 0 0 362,-0.3 4,-2.8 2,-0.2 5,-0.2 0.907 112.4 50.1 -61.1 -44.4 84.3 77.6 61.1 63 64 A X H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.922 109.8 50.1 -65.5 -42.6 81.7 77.1 58.3 64 65 A Q H X S+ 0 0 33 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.936 112.9 45.8 -61.8 -44.9 79.3 79.5 59.9 65 66 A Y H X>S+ 0 0 58 -4,-1.9 4,-3.0 1,-0.2 5,-0.7 0.937 113.6 50.1 -62.9 -49.6 81.9 82.2 60.3 66 67 A I H X>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 4,-1.8 0.936 114.1 43.6 -56.1 -48.8 83.2 81.7 56.7 67 68 A I H <>S+ 0 0 0 -4,-2.7 5,-2.0 -5,-0.2 -2,-0.2 0.960 120.5 39.7 -65.4 -45.4 79.8 81.8 55.1 68 69 A R H <5S+ 0 0 131 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.859 129.4 25.2 -73.0 -35.7 78.5 84.8 57.1 69 70 A E H <5S+ 0 0 115 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.722 132.4 25.8-107.5 -24.7 81.7 86.9 57.2 70 71 A I T <>< S+ 0 0 0 -4,-2.2 3,-2.3 2,-0.1 -71,-0.4 0.898 91.6 94.5 -77.2 -44.9 77.5 87.0 47.2 76 77 A L T 3< S+ 0 0 76 -4,-3.0 -71,-0.2 1,-0.3 3,-0.1 -0.246 97.3 12.5 -57.0 129.2 75.1 89.6 48.6 77 78 A G T 3 S+ 0 0 49 -73,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.380 100.2 127.8 86.2 -4.6 73.8 92.0 45.9 78 79 A S < - 0 0 20 -3,-2.3 -74,-2.3 -74,-0.4 2,-0.3 -0.489 65.5-104.9 -91.0 158.6 75.1 89.8 43.1 79 80 A D B > -A 3 0A 49 -76,-0.2 3,-1.3 -2,-0.2 -76,-0.3 -0.615 18.7-136.7 -81.7 137.3 73.2 88.5 40.1 80 81 A L G > S+ 0 0 10 -78,-2.8 3,-1.9 -2,-0.3 -1,-0.1 0.882 103.4 62.7 -58.8 -41.9 72.3 84.8 40.2 81 82 A S G 3 S+ 0 0 87 -79,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.741 97.4 57.2 -58.4 -25.0 73.3 84.5 36.6 82 83 A D G X> S+ 0 0 64 -3,-1.3 4,-2.6 1,-0.2 3,-0.9 0.163 70.4 124.6 -87.7 20.4 76.9 85.4 37.5 83 84 A Y H <> + 0 0 49 -3,-1.9 4,-2.5 1,-0.3 5,-0.3 0.821 65.9 56.7 -54.1 -38.1 77.1 82.5 40.0 84 85 A K H 3> S+ 0 0 128 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.931 114.1 39.7 -59.7 -41.2 80.2 80.9 38.4 85 86 A Q H <> S+ 0 0 122 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.900 114.3 53.0 -74.8 -36.6 82.1 84.1 38.8 86 87 A T H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 110.5 47.3 -64.5 -41.9 80.7 84.9 42.2 87 88 A L H X S+ 0 0 4 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.875 110.3 52.8 -70.9 -36.7 81.7 81.5 43.6 88 89 A E H X S+ 0 0 120 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.946 112.1 45.1 -63.5 -45.2 85.2 81.8 42.1 89 90 A L H < S+ 0 0 74 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.891 116.8 45.8 -62.1 -44.2 85.7 85.2 43.8 90 91 A A H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.937 111.9 49.3 -65.0 -47.3 84.2 84.0 47.1 91 92 A F H >< S+ 0 0 41 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.752 98.5 66.5 -68.6 -23.3 86.1 80.7 47.2 92 93 A K T 3< S+ 0 0 122 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.670 92.5 64.8 -75.0 -9.4 89.5 82.2 46.5 93 94 A K T < S+ 0 0 90 -3,-1.3 2,-0.4 -4,-0.3 -1,-0.3 0.481 101.2 54.1 -86.2 1.4 89.2 84.0 49.8 94 95 A V < - 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