==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-APR-94 2CHT . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.M.CHOOK,H.KE,W.N.LIPSCOMB . 1391 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 984 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 16.4 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 . 0 0.0 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 . 1 0.1 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 . 126 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 243 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 0 0 12 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 0 0 0 12 0 12 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 12 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 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 M 0 0 55 0, 0.0 95,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.5 45.8 39.3 23.8 2 3 A I E +A 95 0A 8 93,-0.3 2,-0.3 95,-0.1 93,-0.3 -0.956 360.0 176.2-113.2 145.3 46.5 36.9 26.7 3 4 A R E -A 94 0A 20 91,-3.1 91,-2.9 -2,-0.4 2,-0.3 -0.979 26.2-114.0-142.5 161.0 45.3 33.3 25.9 4 5 A G E -A 93 0A 1 271,-2.1 2,-0.6 -2,-0.3 89,-0.3 -0.722 14.8-149.9 -97.5 147.3 45.5 29.8 27.6 5 6 A I E -A 92 0A 1 87,-2.8 87,-1.5 -2,-0.3 2,-0.2 -0.938 16.4-150.0-119.9 105.1 47.4 26.7 26.4 6 7 A R E +A 91 0A 24 -2,-0.6 100,-1.6 85,-0.2 2,-0.3 -0.571 20.3 170.8 -67.0 140.4 45.9 23.4 27.3 7 8 A G E -Ab 90 106A 0 83,-1.8 83,-2.6 -2,-0.2 2,-0.3 -0.969 9.4-178.9-146.8 157.1 47.9 20.3 27.9 8 9 A A E +Ab 89 107A 0 98,-1.8 100,-2.5 -2,-0.3 2,-0.3 -0.964 6.6 164.9-155.7 143.6 47.3 16.8 29.2 9 10 A T E -A 88 0A 1 79,-2.0 79,-2.5 -2,-0.3 2,-0.4 -0.899 26.3-130.5-147.2 172.5 49.5 13.7 29.8 10 11 A T E -A 87 0A 3 -2,-0.3 77,-0.3 77,-0.3 100,-0.2 -0.999 9.1-146.1-130.5 132.5 49.0 10.4 31.8 11 12 A V - 0 0 3 75,-2.5 3,-0.1 -2,-0.4 8,-0.1 -0.614 10.3-144.1 -87.0 162.9 51.5 8.9 34.3 12 13 A E S S+ 0 0 82 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.604 83.3 19.8-104.1 -6.7 51.5 5.1 34.4 13 14 A R S S- 0 0 145 2,-0.1 2,-1.3 73,-0.1 -1,-0.3 -0.981 82.5-113.7-157.7 149.0 52.1 4.8 38.2 14 15 A D + 0 0 56 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.682 66.8 119.7 -94.3 87.1 51.5 7.3 41.0 15 16 A T > - 0 0 55 -2,-1.3 4,-2.7 1,-0.2 5,-0.2 -0.976 68.6-113.6-145.3 153.6 54.9 8.1 42.3 16 17 A E H > S+ 0 0 81 -2,-0.3 4,-2.9 2,-0.2 5,-0.4 0.968 111.3 48.3 -56.8 -61.4 56.8 11.4 42.5 17 18 A E H > S+ 0 0 166 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.850 117.1 46.5 -48.2 -39.7 59.7 10.8 40.0 18 19 A E H > S+ 0 0 24 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.969 113.6 44.8 -68.8 -54.8 57.1 9.6 37.5 19 20 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.934 118.1 44.3 -56.6 -50.0 54.5 12.4 38.0 20 21 A L H X S+ 0 0 16 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.905 112.2 51.9 -66.4 -38.3 57.1 15.1 37.9 21 22 A Q H X S+ 0 0 79 -4,-1.8 4,-2.6 -5,-0.4 -2,-0.2 0.961 114.7 41.9 -66.6 -47.0 59.0 13.6 34.9 22 23 A K H X S+ 0 0 12 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.838 116.4 48.7 -69.3 -33.8 55.9 13.4 32.8 23 24 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 3,-0.5 0.976 112.9 47.6 -68.6 -49.6 54.6 16.8 33.9 24 25 A K H X S+ 0 0 32 -4,-3.1 4,-2.9 1,-0.3 5,-0.2 0.908 111.3 51.5 -55.6 -43.8 58.0 18.5 33.2 25 26 A Q H X S+ 0 0 68 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.3 0.856 109.2 50.5 -61.2 -36.5 58.1 16.7 29.7 26 27 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.5 3,-0.3 0.978 112.7 46.9 -64.6 -49.5 54.6 18.0 28.9 27 28 A L H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.935 107.6 53.8 -59.9 -53.0 55.7 21.6 29.9 28 29 A E H 3X S+ 0 0 85 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.844 111.6 49.0 -44.4 -38.8 59.0 21.5 27.9 29 30 A K H 3X S+ 0 0 68 -4,-1.4 4,-3.1 -3,-0.3 -1,-0.3 0.847 110.8 48.2 -73.5 -34.6 56.9 20.6 24.9 30 31 A I H S+ 0 0 30 -4,-2.8 5,-1.2 -5,-0.2 4,-1.2 0.926 117.0 46.6 -60.2 -42.9 57.1 25.9 25.9 32 33 A E H ><5S+ 0 0 109 -4,-2.2 3,-0.6 -5,-0.3 -2,-0.2 0.981 111.9 47.3 -65.1 -61.1 58.7 24.4 22.7 33 34 A E H 3<5S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.758 125.8 30.5 -55.2 -29.4 55.6 24.2 20.5 34 35 A N H 3<5S- 0 0 33 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.472 101.9-126.6-112.8 -0.6 54.6 27.9 21.4 35 36 A H T <<5 - 0 0 153 -4,-1.2 -3,-0.2 -3,-0.6 2,-0.2 0.872 42.2-169.2 61.0 39.0 58.1 29.2 22.0 36 37 A T < - 0 0 11 -5,-1.2 -1,-0.2 -6,-0.3 3,-0.1 -0.375 19.1-154.1 -69.0 130.5 57.0 30.5 25.4 37 38 A K > - 0 0 108 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.874 23.5-127.0-101.7 132.2 59.1 32.9 27.6 38 39 A P G > S+ 0 0 21 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.901 109.8 58.6 -51.8 -44.9 58.5 32.6 31.4 39 40 A E G 3 S+ 0 0 99 1,-0.3 176,-0.2 27,-0.1 28,-0.0 0.485 100.0 59.9 -60.2 -5.8 57.8 36.4 31.7 40 41 A D G < S+ 0 0 53 -3,-2.6 55,-3.3 54,-0.0 2,-0.7 0.482 85.0 93.9 -97.8 -6.9 55.1 36.0 29.1 41 42 A V E < -C 94 0A 0 -3,-2.9 53,-0.3 -4,-0.3 3,-0.1 -0.797 52.8-170.1-100.0 115.3 53.1 33.6 31.4 42 43 A V E - 0 0 1 51,-2.5 77,-1.0 -2,-0.7 2,-0.3 0.904 67.5 -43.5 -62.6 -50.3 50.5 35.2 33.5 43 44 A Q E -C 93 0A 4 50,-1.0 50,-3.0 75,-0.1 2,-0.3 -0.948 52.7-135.7-174.1 169.0 49.8 32.0 35.6 44 45 A M E -Cd 92 72A 1 27,-2.5 29,-1.8 -2,-0.3 2,-0.4 -0.997 6.1-158.4-146.6 142.0 49.4 28.3 35.2 45 46 A L E -Cd 91 73A 3 46,-2.6 46,-2.4 -2,-0.3 2,-0.4 -0.935 6.0-166.4-118.9 145.7 47.0 25.7 36.7 46 47 A L E -Cd 90 74A 0 27,-2.0 29,-1.2 -2,-0.4 2,-0.4 -0.989 4.8-168.0-133.5 115.4 47.8 22.0 36.9 47 48 A S E -Cd 89 75A 0 42,-2.6 42,-2.7 -2,-0.4 2,-0.3 -0.921 0.4-166.5-107.2 137.2 45.0 19.5 37.7 48 49 A A E -Cd 88 76A 0 27,-1.4 29,-2.2 -2,-0.4 40,-0.2 -0.838 30.0-106.3-113.8 154.8 45.6 15.8 38.6 49 50 A T > - 0 0 8 38,-1.5 3,-2.2 -2,-0.3 29,-0.1 -0.482 39.6-104.9 -72.5 153.3 42.9 13.0 38.7 50 51 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.612 116.9 69.8 -60.8 -9.4 41.9 11.9 42.3 51 52 A D T 3 S+ 0 0 41 36,-0.1 2,-0.6 1,-0.0 -37,-0.1 0.347 83.1 84.6 -83.4 1.3 43.9 8.7 41.9 52 53 A L < + 0 0 0 -3,-2.2 142,-0.2 1,-0.1 -4,-0.1 -0.949 41.1 145.4-116.3 121.1 47.2 10.7 42.0 53 54 A H + 0 0 51 -2,-0.6 143,-3.1 142,-0.1 -1,-0.1 0.379 41.6 91.1-126.1 -5.3 48.5 11.4 45.4 54 55 A A S S- 0 0 33 1,-0.2 2,-0.3 141,-0.2 -38,-0.2 0.901 95.9 -15.5 -78.8 -42.7 52.3 11.3 45.3 55 56 A V S S- 0 0 11 -40,-0.1 -1,-0.2 -39,-0.1 142,-0.1 -0.979 70.7 -93.3-154.8 157.2 53.3 14.9 44.5 56 57 A F > - 0 0 38 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.654 31.1-137.7 -69.9 123.6 51.9 18.2 43.3 57 58 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.877 99.7 74.7 -49.8 -36.1 52.5 18.3 39.4 58 59 A A G >> S+ 0 0 12 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.762 77.1 69.7 -41.1 -40.7 53.5 21.9 40.1 59 60 A K G X4 S+ 0 0 93 -3,-2.2 3,-0.9 1,-0.3 -1,-0.3 0.825 87.8 67.3 -60.4 -27.5 56.8 21.0 41.7 60 61 A A G X4 S+ 0 0 0 -3,-1.9 3,-1.7 -4,-0.4 4,-0.3 0.766 85.7 71.0 -60.4 -28.0 58.0 20.0 38.1 61 62 A V G X4 S+ 0 0 3 -3,-2.0 3,-1.9 -4,-0.3 6,-0.2 0.902 87.6 63.8 -57.8 -35.8 57.8 23.8 37.1 62 63 A R G << S+ 0 0 112 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.504 91.1 65.5 -71.7 0.0 60.8 24.6 39.2 63 64 A E G < S+ 0 0 48 -3,-1.7 2,-0.8 -4,-0.1 -1,-0.3 0.548 82.6 85.7 -95.8 -10.5 63.0 22.3 37.0 64 65 A L S X S- 0 0 16 -3,-1.9 3,-1.9 -4,-0.3 4,-0.1 -0.847 88.8-126.8 -92.7 107.5 62.5 24.6 34.0 65 66 A S T 3 S+ 0 0 59 -2,-0.8 -2,-0.1 1,-0.2 628,-0.1 -0.344 94.0 28.0 -56.5 134.9 65.2 27.2 34.4 66 67 A G T 3 S+ 0 0 52 -4,-0.1 3,-0.3 628,-0.1 -1,-0.2 0.265 97.7 95.4 97.0 -7.1 63.7 30.7 34.3 67 68 A W X + 0 0 9 -3,-1.9 3,-1.4 -6,-0.2 -2,-0.1 0.351 43.0 105.4-105.4 12.1 60.3 29.6 35.7 68 69 A Q T 3 S+ 0 0 62 1,-0.3 -1,-0.2 -4,-0.1 -6,-0.1 0.792 84.2 43.6 -61.0 -35.7 60.6 30.3 39.4 69 70 A Y T 3 S+ 0 0 107 -3,-0.3 -1,-0.3 2,-0.1 149,-0.1 0.405 83.3 112.5 -98.4 11.4 58.4 33.4 39.5 70 71 A V S < S- 0 0 2 -3,-1.4 2,-0.6 1,-0.1 -27,-0.1 -0.655 73.8-122.9 -81.9 127.2 55.7 32.0 37.3 71 72 A P + 0 0 7 0, 0.0 -27,-2.5 0, 0.0 2,-0.3 -0.646 39.6 173.6 -82.0 115.3 52.6 31.5 39.5 72 73 A V E +d 44 0A 9 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.901 7.1 172.4-118.4 146.5 51.4 27.9 39.4 73 74 A T E -d 45 0A 5 -29,-1.8 -27,-2.0 -2,-0.3 2,-0.2 -0.982 17.2-141.1-157.0 150.9 48.7 26.2 41.3 74 75 A C E +d 46 0A 4 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.565 17.6 171.4-107.1 171.0 47.0 22.8 41.3 75 76 A M E -d 47 0A 1 -29,-1.2 -27,-1.4 -2,-0.2 2,-0.5 -0.906 37.6 -88.1-164.4 171.9 43.5 21.7 41.8 76 77 A Q E -d 48 0A 8 115,-2.2 233,-2.8 233,-0.3 115,-0.2 -0.832 27.9-129.4-104.7 137.0 41.7 18.4 41.4 77 78 A E - 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