==== 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 ISOMERASE 09-MAR-11 3R11 . 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) . 27938.0 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 . 66 9.1 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 . 55 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 31.7 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 3 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 . 5 4 2 2 4 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 1 1 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 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 67.3 89.7 36.9 2 3 A S - 0 0 23 37,-0.1 78,-2.7 77,-0.0 79,-0.4 -0.543 360.0-171.9 -80.5 135.4 67.4 87.8 40.1 3 4 A K B -A 79 0A 74 76,-0.3 37,-1.8 -2,-0.3 2,-0.6 -0.951 28.6-117.0-123.6 144.3 69.9 88.8 42.9 4 5 A I E +B 39 0B 0 74,-2.1 73,-3.0 71,-0.4 74,-0.3 -0.713 38.6 167.9 -80.5 116.6 70.7 87.0 46.1 5 6 A I E + 0 0 88 33,-2.7 2,-0.3 -2,-0.6 34,-0.2 0.427 55.3 34.7-109.9 -3.5 69.6 89.4 48.9 6 7 A D E -B 38 0B 61 32,-1.1 32,-2.3 69,-0.1 2,-0.4 -0.993 51.4-169.7-152.6 146.8 69.8 87.2 52.0 7 8 A I E +B 37 0B 26 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.992 11.5 174.1-137.1 128.3 71.9 84.4 53.6 8 9 A K E -B 36 0B 67 28,-2.2 28,-2.8 -2,-0.4 2,-0.3 -0.942 11.3-158.4-126.5 153.2 71.0 82.4 56.7 9 10 A T E -B 35 0B 20 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.952 7.0-174.0-128.8 155.2 72.7 79.4 58.3 10 11 A S E -B 34 0B 19 24,-2.3 24,-3.3 -2,-0.3 2,-0.4 -0.988 22.6-130.1-148.2 138.0 71.4 76.7 60.6 11 12 A I E -B 33 0B 69 -2,-0.3 2,-0.5 22,-0.2 22,-0.2 -0.732 26.0-167.7 -86.4 130.2 73.0 73.9 62.5 12 13 A I E -B 32 0B 18 20,-3.0 20,-1.9 -2,-0.4 2,-0.5 -0.977 6.1-168.5-124.4 121.9 71.2 70.6 62.1 13 14 A K E -B 31 0B 132 -2,-0.5 18,-0.2 18,-0.2 -2,-0.0 -0.946 5.6-166.6-113.0 124.1 71.9 67.5 64.2 14 15 A I E -B 30 0B 10 16,-1.9 16,-2.9 -2,-0.5 2,-0.2 -0.932 19.2-126.3-111.9 126.5 70.4 64.2 63.1 15 16 A P E -B 29 0B 95 0, 0.0 313,-0.4 0, 0.0 2,-0.3 -0.479 21.4-135.2 -70.3 142.0 70.2 61.1 65.4 16 17 A L E - 0 0 16 12,-2.9 311,-0.2 -2,-0.2 310,-0.1 -0.727 11.0-131.7 -94.8 146.5 71.7 57.9 64.1 17 18 A K E S+ 0 0 129 309,-2.9 2,-0.3 -2,-0.3 310,-0.1 0.689 91.7 9.6 -68.7 -19.3 69.9 54.5 64.5 18 19 A R E S- 0 0 98 308,-0.3 2,-0.2 9,-0.1 -1,-0.1 -0.971 97.9 -73.8-154.5 164.3 73.2 53.0 65.8 19 20 A T E - 0 0 65 -2,-0.3 2,-0.6 1,-0.1 9,-0.2 -0.429 39.4-150.2 -67.7 128.3 76.7 54.1 66.9 20 21 A F E -B 27 0B 28 7,-2.8 7,-2.0 -2,-0.2 2,-0.4 -0.896 16.9-172.0-102.7 117.2 79.0 55.1 64.1 21 22 A I E +B 26 0B 99 -2,-0.6 5,-0.2 5,-0.2 118,-0.2 -0.923 7.5 173.8-116.7 131.1 82.6 54.5 64.9 22 23 A T - 0 0 54 3,-3.4 116,-0.0 -2,-0.4 -2,-0.0 -0.547 52.0 -84.7-116.9-174.2 85.7 55.5 62.8 23 24 A A S S+ 0 0 111 1,-0.2 3,-0.1 -2,-0.2 433,-0.0 0.845 127.5 22.0 -59.5 -38.6 89.4 55.4 63.3 24 25 A V S S+ 0 0 38 1,-0.1 2,-0.3 431,-0.1 -1,-0.2 0.500 123.6 30.3-106.5 -4.7 89.4 58.6 65.3 25 26 A R - 0 0 116 2,-0.0 -3,-3.4 29,-0.0 2,-0.4 -0.984 47.8-151.1-158.2 157.7 85.8 59.0 66.7 26 27 A S E +B 21 0B 71 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.999 28.6 168.1-136.4 134.9 82.5 57.6 67.9 27 28 A T E -B 20 0B 13 -7,-2.0 -7,-2.8 -2,-0.4 -9,-0.1 -0.994 38.4-157.7-151.6 150.4 79.2 59.3 67.5 28 29 A N E S+ 0 0 88 -2,-0.3 -12,-2.9 -9,-0.2 2,-0.3 0.229 81.4 41.1-102.7 6.3 75.4 58.9 67.7 29 30 A H E S-B 15 0B 59 -14,-0.3 2,-0.5 -9,-0.1 -9,-0.1 -0.976 73.9-115.6-148.6 163.6 74.5 61.8 65.5 30 31 A I E -B 14 0B 5 -16,-2.9 -16,-1.9 -2,-0.3 2,-0.6 -0.901 23.7-147.9-100.5 130.2 75.3 63.7 62.3 31 32 A D E +B 13 0B 19 -2,-0.5 20,-1.4 -18,-0.2 2,-0.3 -0.880 28.1 168.1 -94.1 124.6 76.5 67.3 62.5 32 33 A S E -BC 12 50B 0 -20,-1.9 -20,-3.0 -2,-0.6 2,-0.5 -0.979 28.9-148.1-134.4 149.0 75.4 69.4 59.5 33 34 A L E -BC 11 49B 0 16,-2.5 16,-2.2 -2,-0.3 2,-0.4 -0.971 18.0-161.8-109.5 132.2 75.4 73.1 58.6 34 35 A A E -BC 10 48B 1 -24,-3.3 -24,-2.3 -2,-0.5 2,-0.4 -0.865 0.8-159.9-108.5 145.4 72.6 74.2 56.3 35 36 A V E -BC 9 47B 0 12,-2.7 12,-1.9 -2,-0.4 2,-0.5 -0.976 1.6-159.0-124.7 141.6 72.6 77.4 54.3 36 37 A E E -BC 8 46B 1 -28,-2.8 -28,-2.2 -2,-0.4 2,-0.4 -0.984 4.0-166.4-117.9 125.0 69.6 79.3 52.9 37 38 A L E -BC 7 45B 0 8,-2.6 8,-2.7 -2,-0.5 2,-0.5 -0.936 8.0-157.6-106.9 134.9 70.0 81.8 50.0 38 39 A T E -BC 6 44B 13 -32,-2.3 -33,-2.7 -2,-0.4 -32,-1.1 -0.954 4.0-148.4-117.4 125.3 67.1 84.1 49.3 39 40 A L E > -B 4 0B 1 4,-2.7 3,-1.8 -2,-0.5 -35,-0.2 -0.450 30.3-110.7 -78.7 162.8 66.6 85.8 45.9 40 41 A D T 3 S+ 0 0 84 -37,-1.8 -36,-0.1 1,-0.3 -1,-0.1 0.466 118.9 61.0 -78.2 0.5 64.9 89.2 45.5 41 42 A N T 3 S- 0 0 81 -38,-0.2 -1,-0.3 2,-0.2 -39,-0.0 0.273 122.2-105.7 -98.0 4.6 61.9 87.4 43.9 42 43 A G S < S+ 0 0 50 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.233 74.0 138.7 95.6 -14.2 61.4 85.4 47.1 43 44 A V - 0 0 38 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.453 38.5-153.3 -67.2 134.2 62.7 82.0 45.9 44 45 A K E -C 38 0B 65 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.924 7.6-163.5-114.5 129.5 64.8 80.3 48.6 45 46 A G E -C 37 0B 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.4 -0.913 6.8-157.5-107.7 153.4 67.6 77.7 47.9 46 47 A Y E +C 36 0B 16 -2,-0.3 2,-0.3 60,-0.2 -10,-0.2 -0.933 13.3 177.7-132.4 144.5 69.2 75.3 50.4 47 48 A G E -C 35 0B 0 -12,-1.9 -12,-2.7 -2,-0.4 2,-0.4 -0.987 8.7-164.0-142.0 152.1 72.4 73.4 50.8 48 49 A V E +C 34 0B 3 -2,-0.3 -14,-0.2 -14,-0.2 -2,-0.0 -0.997 9.0 177.9-140.8 130.0 73.6 71.1 53.6 49 50 A A E -C 33 0B 0 -16,-2.2 -16,-2.5 -2,-0.4 2,-0.1 -0.957 24.5-121.1-137.2 148.1 77.1 69.8 54.4 50 51 A P E -C 32 0B 2 0, 0.0 2,-0.6 0, 0.0 -18,-0.2 -0.446 15.0-134.2 -81.6 157.5 78.7 67.6 57.1 51 52 A A + 0 0 15 -20,-1.4 2,-1.3 -2,-0.1 9,-0.2 -0.687 33.5 167.7-109.5 88.9 81.5 68.8 59.4 52 53 A T >>> + 0 0 37 -2,-0.6 4,-2.5 1,-0.2 3,-1.4 -0.678 7.7 179.7-104.3 94.2 83.8 65.8 59.2 53 54 A T H 3>5S+ 0 0 17 -2,-1.3 405,-2.3 1,-0.3 4,-0.8 0.833 73.7 58.2 -70.2 -34.6 86.8 67.4 60.8 54 55 A A H 345S+ 0 0 24 403,-0.3 -1,-0.3 -3,-0.2 403,-0.1 0.725 120.3 27.8 -67.5 -22.6 89.0 64.3 60.6 55 56 A I H <45S+ 0 0 37 -3,-1.4 -2,-0.2 3,-0.1 -1,-0.1 0.850 138.3 15.1-104.9 -59.0 88.6 64.2 56.8 56 57 A T H <5S- 0 0 1 -4,-2.5 41,-0.5 2,-0.1 42,-0.5 0.528 91.9-123.7 -97.7 -6.9 88.0 67.7 55.4 57 58 A G << + 0 0 0 -5,-0.9 -4,-0.2 -4,-0.8 2,-0.1 0.446 61.4 145.8 77.8 -0.4 89.0 69.8 58.5 58 59 A D - 0 0 0 -6,-0.5 2,-0.3 -8,-0.1 -1,-0.3 -0.434 27.5-173.2 -71.7 142.4 85.5 71.4 58.5 59 60 A T > - 0 0 1 -2,-0.1 4,-2.8 -7,-0.1 5,-0.2 -0.949 33.3-122.9-124.1 155.6 83.8 72.4 61.8 60 61 A L H > S+ 0 0 10 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.923 114.9 49.7 -58.4 -43.3 80.3 73.7 62.2 61 62 A Q H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 364,-0.2 0.907 112.6 45.4 -66.9 -43.3 81.7 76.8 63.9 62 63 A G H > S+ 0 0 0 362,-0.3 4,-2.8 2,-0.2 5,-0.2 0.926 113.3 50.5 -63.3 -45.3 84.3 77.5 61.2 63 64 A X H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.935 109.5 50.9 -59.0 -46.9 81.7 76.9 58.4 64 65 A Q H X S+ 0 0 32 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.935 113.3 44.4 -58.5 -48.5 79.2 79.3 60.0 65 66 A Y H X>S+ 0 0 54 -4,-2.0 4,-3.1 2,-0.2 5,-0.6 0.924 113.1 51.3 -61.2 -46.3 81.8 82.1 60.3 66 67 A I H X>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-1.8 0.944 114.5 42.9 -58.4 -47.7 83.2 81.5 56.8 67 68 A I H <>S+ 0 0 0 -4,-2.8 5,-2.0 -5,-0.2 -2,-0.2 0.950 120.7 40.3 -66.3 -47.5 79.7 81.7 55.2 68 69 A R H <5S+ 0 0 135 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.902 129.7 24.3 -67.0 -48.1 78.5 84.6 57.3 69 70 A E H <5S+ 0 0 118 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.716 132.7 25.7 -97.4 -20.2 81.6 86.8 57.3 70 71 A I T X>< S+ 0 0 0 -4,-2.3 3,-2.2 2,-0.1 -71,-0.4 0.889 90.9 93.4 -76.0 -43.7 77.4 86.9 47.4 76 77 A L T 3< S+ 0 0 74 -4,-3.3 -71,-0.2 1,-0.3 3,-0.1 -0.294 98.6 11.8 -59.4 130.3 75.0 89.5 48.7 77 78 A G T 3 S+ 0 0 47 -73,-3.0 -1,-0.3 1,-0.3 -72,-0.1 0.319 99.1 127.4 87.5 -9.4 73.7 91.8 46.0 78 79 A S < - 0 0 23 -3,-2.2 -74,-2.1 -74,-0.3 2,-0.3 -0.432 65.5-105.5 -81.5 155.8 75.2 89.6 43.2 79 80 A D B > -A 3 0A 41 -76,-0.2 3,-1.3 1,-0.1 -76,-0.3 -0.638 18.3-135.1 -78.7 136.3 73.2 88.3 40.2 80 81 A L G > S+ 0 0 10 -78,-2.7 3,-2.0 -2,-0.3 -1,-0.1 0.889 105.0 62.4 -54.2 -41.3 72.2 84.6 40.3 81 82 A S G 3 S+ 0 0 85 -79,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.724 96.9 58.3 -63.0 -20.9 73.3 84.3 36.6 82 83 A D G X> S+ 0 0 66 -3,-1.3 4,-2.6 1,-0.2 3,-0.9 0.196 70.2 124.6 -86.7 12.6 76.9 85.3 37.6 83 84 A Y H <> + 0 0 51 -3,-2.0 4,-3.0 1,-0.3 5,-0.3 0.821 66.9 54.8 -47.1 -43.1 77.1 82.3 40.0 84 85 A K H 3> S+ 0 0 129 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.908 115.1 40.1 -59.8 -41.9 80.3 80.8 38.5 85 86 A Q H <> S+ 0 0 118 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.897 114.4 52.2 -71.9 -42.8 82.1 84.0 38.9 86 87 A T H X S+ 0 0 8 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.925 111.3 47.7 -60.8 -42.7 80.7 84.8 42.3 87 88 A L H X S+ 0 0 5 -4,-3.0 4,-3.1 -5,-0.3 5,-0.2 0.900 110.4 50.9 -68.4 -38.7 81.7 81.4 43.6 88 89 A E H X S+ 0 0 131 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.941 113.2 46.3 -62.4 -46.5 85.2 81.7 42.2 89 90 A L H < S+ 0 0 80 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.905 116.9 44.5 -59.6 -44.5 85.6 85.1 43.9 90 91 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 -2,-0.2 0.941 112.9 48.7 -67.7 -45.6 84.2 83.8 47.2 91 92 A F H >< S+ 0 0 39 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.767 98.6 66.9 -72.3 -24.3 86.1 80.6 47.4 92 93 A K T 3< S+ 0 0 128 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.651 92.3 64.2 -70.9 -11.6 89.5 82.1 46.6 93 94 A K T < S+ 0 0 93 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.469 101.9 56.1 -85.1 -2.5 89.2 83.9 50.0 94 95 A V < - 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