==== 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 3R10 . 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) . 28252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 72.9 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 . 52 7.2 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 . 228 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.9 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 4 4 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 0 131 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.0 67.4 89.3 37.1 2 3 A S - 0 0 22 37,-0.1 78,-3.0 39,-0.0 79,-0.4 -0.611 360.0-168.2 -83.7 136.4 67.3 87.5 40.4 3 4 A K B -A 79 0A 75 -2,-0.3 37,-1.8 76,-0.3 2,-0.6 -0.935 26.9-116.9-120.6 145.3 69.7 88.6 43.2 4 5 A I E +B 39 0B 0 74,-2.2 73,-3.3 71,-0.4 74,-0.3 -0.731 38.1 168.8 -80.9 117.0 70.6 86.8 46.4 5 6 A I E + 0 0 87 33,-2.6 2,-0.3 -2,-0.6 34,-0.2 0.460 55.6 33.5-109.3 -4.9 69.4 89.1 49.2 6 7 A D E -B 38 0B 61 32,-1.2 32,-2.4 69,-0.1 2,-0.4 -0.994 51.6-169.0-152.2 146.9 69.6 87.0 52.4 7 8 A I E +B 37 0B 26 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.993 12.0 174.8-136.4 127.4 71.7 84.2 53.9 8 9 A K E -B 36 0B 68 28,-2.2 28,-2.9 -2,-0.4 2,-0.3 -0.941 10.9-158.7-125.2 153.2 70.8 82.2 57.0 9 10 A T E -B 35 0B 20 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.949 7.0-174.8-128.4 155.1 72.5 79.2 58.6 10 11 A S E -B 34 0B 18 24,-2.2 24,-3.4 -2,-0.3 2,-0.4 -0.990 22.9-129.9-148.6 138.3 71.2 76.5 61.0 11 12 A I E -B 33 0B 67 -2,-0.3 2,-0.5 22,-0.2 22,-0.2 -0.731 26.4-167.0 -87.0 132.4 72.9 73.7 62.8 12 13 A I E -B 32 0B 16 20,-2.9 20,-2.3 -2,-0.4 2,-0.5 -0.986 6.8-168.9-125.1 126.4 71.0 70.4 62.4 13 14 A K E -B 31 0B 126 -2,-0.5 18,-0.2 18,-0.2 -2,-0.0 -0.971 5.1-166.4-116.7 127.2 71.7 67.3 64.5 14 15 A I E -B 30 0B 13 16,-1.8 16,-2.9 -2,-0.5 2,-0.2 -0.954 19.4-127.1-114.5 125.6 70.2 64.0 63.4 15 16 A P E -B 29 0B 96 0, 0.0 313,-0.4 0, 0.0 2,-0.3 -0.500 22.3-135.3 -71.5 141.9 70.0 61.0 65.7 16 17 A L E - 0 0 16 12,-3.0 311,-0.2 -2,-0.2 310,-0.1 -0.729 11.3-129.8 -95.9 147.0 71.5 57.7 64.4 17 18 A K E S+ 0 0 127 309,-2.9 2,-0.3 -2,-0.3 310,-0.1 0.762 92.3 11.1 -65.0 -27.2 69.7 54.4 64.8 18 19 A R E S- 0 0 97 308,-0.3 2,-0.2 9,-0.1 -1,-0.1 -0.963 98.0 -76.2-146.7 163.0 72.9 52.9 66.1 19 20 A T E - 0 0 63 -2,-0.3 2,-0.6 1,-0.1 9,-0.2 -0.402 40.4-149.7 -64.4 128.6 76.3 54.0 67.3 20 21 A F E -B 27 0B 30 7,-2.9 7,-2.1 -2,-0.2 2,-0.5 -0.909 16.2-171.2-103.9 118.6 78.7 54.9 64.5 21 22 A I E +B 26 0B 98 -2,-0.6 5,-0.2 5,-0.2 118,-0.2 -0.941 6.9 175.2-118.3 128.4 82.3 54.3 65.3 22 23 A T - 0 0 52 3,-3.2 116,-0.0 -2,-0.5 -2,-0.0 -0.500 51.5 -83.9-114.0-174.2 85.3 55.4 63.2 23 24 A A S S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 433,-0.0 0.843 127.6 23.0 -58.5 -38.4 89.1 55.2 63.6 24 25 A V S S+ 0 0 38 1,-0.2 2,-0.3 432,-0.1 -1,-0.2 0.545 123.1 24.7-107.3 -7.3 89.0 58.4 65.7 25 26 A R - 0 0 124 2,-0.0 -3,-3.2 29,-0.0 2,-0.4 -0.995 49.3-143.6-158.6 157.5 85.5 58.9 67.2 26 27 A S E +B 21 0B 67 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.985 31.0 166.8-125.4 137.4 82.2 57.4 68.4 27 28 A T E -B 20 0B 14 -7,-2.1 -7,-2.9 -2,-0.4 -9,-0.1 -0.996 38.7-157.5-152.2 151.6 78.9 59.1 67.9 28 29 A N E S+ 0 0 84 -2,-0.3 -12,-3.0 -9,-0.2 2,-0.3 0.211 80.6 42.5-103.3 6.8 75.1 58.7 68.1 29 30 A H E S-B 15 0B 57 -14,-0.3 2,-0.5 -9,-0.1 -9,-0.1 -0.984 74.2-115.0-148.7 162.8 74.2 61.7 65.8 30 31 A I E -B 14 0B 5 -16,-2.9 -16,-1.8 -2,-0.3 2,-0.6 -0.862 24.1-147.9 -97.2 130.9 75.1 63.5 62.6 31 32 A D E +B 13 0B 17 -2,-0.5 20,-1.6 -18,-0.2 2,-0.3 -0.906 29.1 166.7 -94.9 122.4 76.4 67.1 62.9 32 33 A S E -BC 12 50B 0 -20,-2.3 -20,-2.9 -2,-0.6 2,-0.5 -0.972 30.0-147.6-132.4 151.1 75.3 69.2 59.9 33 34 A L E -BC 11 49B 0 16,-2.6 16,-2.2 -2,-0.3 2,-0.4 -0.978 18.4-161.4-110.5 132.0 75.2 72.8 59.0 34 35 A A E -BC 10 48B 0 -24,-3.4 -24,-2.2 -2,-0.5 2,-0.4 -0.848 1.0-159.2-107.6 145.9 72.4 74.0 56.7 35 36 A V E -BC 9 47B 0 12,-2.9 12,-1.9 -2,-0.4 2,-0.5 -0.976 1.9-158.7-124.7 142.2 72.4 77.2 54.7 36 37 A E E -BC 8 46B 1 -28,-2.9 -28,-2.2 -2,-0.4 2,-0.5 -0.980 4.1-166.2-118.6 125.8 69.5 79.1 53.2 37 38 A L E -BC 7 45B 0 8,-2.9 8,-2.6 -2,-0.5 2,-0.5 -0.937 8.3-157.5-107.7 133.8 69.9 81.5 50.3 38 39 A T E -BC 6 44B 12 -32,-2.4 -33,-2.6 -2,-0.5 -32,-1.2 -0.953 3.5-148.6-116.2 126.5 67.0 83.8 49.6 39 40 A L E > -B 4 0B 1 4,-2.8 3,-1.8 -2,-0.5 -35,-0.2 -0.468 29.4-112.9 -80.5 161.3 66.4 85.5 46.2 40 41 A D T 3 S+ 0 0 85 -37,-1.8 -36,-0.1 1,-0.3 -1,-0.1 0.468 118.3 61.5 -78.4 0.5 64.8 88.9 45.8 41 42 A N T 3 S- 0 0 82 -38,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.256 122.3-106.5 -97.4 5.4 61.8 87.2 44.1 42 43 A G S < S+ 0 0 50 -3,-1.8 2,-0.1 1,-0.3 -2,-0.1 0.178 74.8 136.9 93.7 -17.1 61.2 85.2 47.4 43 44 A V - 0 0 40 -5,-0.1 -4,-2.8 1,-0.0 2,-0.3 -0.433 37.5-157.8 -66.0 133.7 62.6 81.8 46.2 44 45 A K E -C 38 0B 63 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.883 7.0-165.2-115.0 149.5 64.7 80.1 48.8 45 46 A G E -C 37 0B 0 -8,-2.6 -8,-2.9 -2,-0.3 2,-0.4 -0.969 5.1-154.6-140.1 153.0 67.4 77.4 48.3 46 47 A Y E +C 36 0B 17 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.929 13.1 179.4-133.5 143.5 69.1 75.1 50.7 47 48 A G E -C 35 0B 0 -12,-1.9 -12,-2.9 -2,-0.4 2,-0.4 -0.985 9.3-163.5-141.8 152.6 72.3 73.1 51.1 48 49 A V E +C 34 0B 5 -2,-0.3 -14,-0.2 -14,-0.2 -2,-0.0 -1.000 9.0 178.9-139.9 132.4 73.4 70.9 54.0 49 50 A A E -C 33 0B 0 -16,-2.2 -16,-2.6 -2,-0.4 2,-0.1 -0.962 24.5-119.0-138.6 149.7 76.9 69.6 54.7 50 51 A P E -C 32 0B 2 0, 0.0 2,-0.7 0, 0.0 -18,-0.2 -0.450 15.7-133.0 -81.7 156.7 78.5 67.5 57.4 51 52 A A + 0 0 13 -20,-1.6 2,-1.3 -2,-0.1 9,-0.2 -0.668 34.4 167.3-107.7 88.9 81.2 68.6 59.8 52 53 A T >>> + 0 0 37 -2,-0.7 4,-2.6 1,-0.2 3,-1.1 -0.680 7.0 178.4-104.9 95.6 83.6 65.7 59.5 53 54 A T H 3>5S+ 0 0 17 -2,-1.3 405,-2.5 1,-0.3 4,-0.6 0.824 74.2 56.3 -71.5 -33.6 86.6 67.2 61.2 54 55 A A H 345S+ 0 0 24 403,-0.3 -1,-0.3 -3,-0.2 403,-0.1 0.727 120.7 28.6 -70.8 -22.2 88.8 64.2 61.0 55 56 A I H <45S+ 0 0 30 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.1 0.852 138.8 13.6-104.9 -58.6 88.5 64.0 57.2 56 57 A T H <5S- 0 0 2 -4,-2.6 41,-0.5 2,-0.1 42,-0.4 0.519 92.3-123.6 -99.5 -6.5 87.8 67.5 55.8 57 58 A G << + 0 0 1 -5,-1.0 -4,-0.2 -4,-0.6 2,-0.1 0.475 61.0 146.3 77.1 2.3 88.8 69.6 58.9 58 59 A D - 0 0 0 -6,-0.6 2,-0.3 -8,-0.1 -1,-0.3 -0.452 27.4-172.4 -73.5 145.0 85.3 71.2 58.9 59 60 A T > - 0 0 1 -2,-0.1 4,-2.9 -7,-0.1 5,-0.2 -0.950 33.6-122.9-127.8 151.9 83.6 72.2 62.1 60 61 A L H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.911 115.8 49.3 -56.1 -42.3 80.1 73.5 62.6 61 62 A Q H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 364,-0.3 0.895 112.5 45.7 -68.9 -42.4 81.5 76.6 64.2 62 63 A G H > S+ 0 0 0 362,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 113.3 50.2 -62.3 -46.4 84.1 77.2 61.5 63 64 A X H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.926 109.6 51.0 -59.7 -46.5 81.5 76.7 58.7 64 65 A Q H X S+ 0 0 29 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.937 113.2 44.4 -57.1 -50.7 79.0 79.1 60.3 65 66 A Y H X>S+ 0 0 57 -4,-1.9 4,-3.2 2,-0.2 5,-0.6 0.943 113.4 50.9 -59.3 -48.9 81.6 81.9 60.7 66 67 A I H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-1.9 0.938 114.8 42.4 -56.5 -48.4 83.0 81.3 57.1 67 68 A I H <>S+ 0 0 0 -4,-2.7 5,-2.0 3,-0.2 -1,-0.2 0.946 120.5 41.2 -67.2 -46.7 79.5 81.5 55.5 68 69 A R H <5S+ 0 0 134 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.902 129.9 23.4 -66.5 -47.0 78.3 84.4 57.6 69 70 A E H <5S+ 0 0 120 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.692 132.9 26.6-100.8 -17.4 81.4 86.6 57.6 70 71 A I T X>< S+ 0 0 0 -4,-2.2 3,-2.3 2,-0.1 -71,-0.4 0.906 90.5 93.1 -78.3 -45.8 77.3 86.6 47.7 76 77 A L T 3< S+ 0 0 73 -4,-3.2 -71,-0.2 1,-0.3 3,-0.1 -0.249 98.4 11.7 -57.9 130.6 74.8 89.2 49.0 77 78 A G T 3 S+ 0 0 46 -73,-3.3 -1,-0.3 1,-0.3 -72,-0.1 0.333 98.8 128.2 86.6 -8.7 73.5 91.5 46.2 78 79 A S < - 0 0 23 -3,-2.3 -74,-2.2 -74,-0.3 -1,-0.3 -0.457 65.6-105.1 -81.6 155.2 75.0 89.4 43.5 79 80 A D B > -A 3 0A 41 -76,-0.2 3,-1.2 1,-0.1 -76,-0.3 -0.591 18.9-135.4 -76.7 136.9 73.0 88.1 40.5 80 81 A L G > S+ 0 0 10 -78,-3.0 3,-2.0 -2,-0.3 -1,-0.1 0.891 104.7 62.1 -56.6 -39.8 72.1 84.4 40.6 81 82 A S G 3 S+ 0 0 86 -79,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.727 96.8 58.8 -63.1 -20.5 73.2 84.0 36.9 82 83 A D G X> S+ 0 0 67 -3,-1.2 4,-2.6 1,-0.2 3,-0.9 0.223 70.1 124.9 -87.2 11.6 76.7 85.0 37.9 83 84 A Y H <> + 0 0 50 -3,-2.0 4,-2.9 1,-0.3 5,-0.3 0.799 66.9 54.1 -47.5 -40.8 77.0 82.1 40.3 84 85 A K H 3> S+ 0 0 128 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.928 115.0 40.7 -62.5 -43.0 80.1 80.5 38.8 85 86 A Q H <> S+ 0 0 121 -3,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.896 114.9 51.5 -68.6 -43.4 82.0 83.8 39.2 86 87 A T H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 111.5 47.4 -61.1 -43.1 80.5 84.6 42.6 87 88 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 -5,-0.3 5,-0.3 0.907 110.8 51.3 -68.8 -38.8 81.5 81.2 43.9 88 89 A E H X S+ 0 0 123 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.930 112.6 46.8 -61.4 -45.0 85.0 81.5 42.5 89 90 A L H < S+ 0 0 77 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.902 116.5 44.0 -62.1 -44.4 85.4 84.9 44.2 90 91 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.939 113.1 48.9 -68.2 -46.7 84.0 83.6 47.5 91 92 A F H >< S+ 0 0 39 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.786 98.7 66.8 -69.8 -27.0 85.9 80.3 47.7 92 93 A K T 3< S+ 0 0 122 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.693 92.9 64.0 -67.6 -14.1 89.3 81.9 46.9 93 94 A K T < S+ 0 0 98 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.486 101.9 55.1 -83.5 -3.1 89.0 83.7 50.3 94 95 A V < - 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