==== 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 2CHS . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.M.CHOOK,H.KE,W.N.LIPSCOMB . 1368 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 16.7 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 . 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 . 104 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 224 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 16.0 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 0 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,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.5 46.0 39.3 24.2 2 3 A I E -A 95 0A 2 93,-0.3 2,-0.3 95,-0.1 93,-0.2 -0.978 360.0-168.8-125.7 141.6 46.6 36.5 26.7 3 4 A R E -A 94 0A 21 91,-2.4 91,-2.5 -2,-0.4 2,-0.4 -0.941 21.4-118.3-129.4 153.3 45.6 33.1 25.7 4 5 A G E -A 93 0A 1 268,-2.0 2,-0.4 -2,-0.3 89,-0.2 -0.750 22.6-159.6 -87.7 138.5 45.3 29.7 27.5 5 6 A I E -A 92 0A 2 87,-2.2 87,-2.5 -2,-0.4 2,-0.3 -0.972 12.6-151.4-117.5 138.1 47.6 26.7 26.3 6 7 A R E +A 91 0A 26 -2,-0.4 100,-2.0 85,-0.2 2,-0.3 -0.767 18.0 170.5-113.2 154.6 46.4 23.2 27.2 7 8 A G E -Ab 90 106A 0 83,-1.4 83,-2.4 -2,-0.3 2,-0.3 -0.955 6.9-177.4-156.9 156.3 48.3 20.0 27.8 8 9 A A E +Ab 89 107A 0 98,-1.5 100,-2.8 -2,-0.3 2,-0.3 -0.963 8.8 161.5-154.1 149.9 47.6 16.5 29.2 9 10 A T E -A 88 0A 2 79,-1.3 79,-2.8 -2,-0.3 2,-0.3 -0.955 24.6-133.2-159.1 167.9 49.8 13.4 29.8 10 11 A T E -A 87 0A 3 -2,-0.3 2,-0.2 77,-0.2 77,-0.2 -0.911 9.8-143.1-131.0 154.4 49.5 10.2 31.9 11 12 A V - 0 0 3 75,-2.0 3,-0.1 -2,-0.3 8,-0.1 -0.716 10.7-139.3-110.9 168.2 51.7 8.4 34.3 12 13 A E S S+ 0 0 91 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.758 84.2 13.7 -94.0 -35.9 52.2 4.7 34.8 13 14 A R S S- 0 0 148 2,-0.1 2,-1.8 73,-0.1 -1,-0.3 -0.966 81.1-107.1-138.0 158.1 52.5 4.5 38.6 14 15 A D S S+ 0 0 60 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.574 70.4 130.3 -87.7 80.5 51.7 7.0 41.3 15 16 A T > - 0 0 50 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.915 67.2-118.0-130.6 158.3 55.2 7.8 42.3 16 17 A E H > S+ 0 0 94 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.943 114.3 45.6 -58.8 -47.4 57.2 11.1 42.8 17 18 A E H > S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.912 114.5 47.0 -67.1 -42.6 59.7 10.4 40.0 18 19 A E H > S+ 0 0 14 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.908 114.4 46.2 -68.2 -39.5 57.0 9.3 37.5 19 20 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.974 119.0 42.2 -68.6 -47.7 54.7 12.3 38.2 20 21 A L H X S+ 0 0 22 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.909 114.0 49.6 -66.5 -43.3 57.7 14.8 38.0 21 22 A Q H X S+ 0 0 83 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.949 116.3 42.3 -60.4 -49.4 59.4 13.2 35.0 22 23 A K H X S+ 0 0 16 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.837 115.2 50.2 -70.5 -31.5 56.2 13.2 32.9 23 24 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 3,-0.2 0.944 111.2 47.7 -68.9 -44.1 55.1 16.7 34.1 24 25 A K H X S+ 0 0 37 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.939 111.4 53.1 -61.7 -42.3 58.5 18.2 33.3 25 26 A Q H X S+ 0 0 70 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.794 109.1 47.6 -60.9 -34.0 58.3 16.5 29.8 26 27 A L H X S+ 0 0 1 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.2 0.914 114.3 46.4 -73.5 -41.2 54.9 18.0 29.1 27 28 A L H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.963 111.3 51.7 -67.5 -47.5 55.9 21.5 30.2 28 29 A E H X S+ 0 0 87 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.885 110.1 49.5 -49.9 -46.7 59.2 21.3 28.2 29 30 A K H X S+ 0 0 69 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.876 111.7 47.3 -65.0 -42.9 57.3 20.3 25.1 30 31 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 6,-0.4 0.916 111.8 51.2 -62.5 -46.7 54.7 23.1 25.4 31 32 A I H X>S+ 0 0 30 -4,-2.9 4,-1.2 1,-0.2 5,-1.2 0.981 113.8 45.0 -57.7 -49.8 57.5 25.7 26.0 32 33 A E H ><5S+ 0 0 118 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.932 113.9 47.9 -58.1 -52.8 59.2 24.4 22.9 33 34 A E H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 124.7 30.0 -56.9 -39.3 56.1 24.3 20.6 34 35 A N H 3<5S- 0 0 33 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.348 101.1-126.9-108.2 3.0 54.9 27.7 21.6 35 36 A H T <<5 - 0 0 142 -4,-1.2 -3,-0.2 -3,-0.6 -4,-0.2 0.786 42.2-172.1 58.2 31.9 58.3 29.3 22.3 36 37 A T < - 0 0 12 -5,-1.2 -1,-0.2 -6,-0.4 3,-0.1 -0.274 16.4-153.0 -65.6 141.0 57.1 30.4 25.7 37 38 A K > - 0 0 104 1,-0.1 3,-1.9 -2,-0.0 4,-0.4 -0.895 21.9-126.0-106.7 136.9 59.2 32.7 27.9 38 39 A P G > S+ 0 0 21 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.907 108.9 57.9 -51.0 -47.4 58.8 32.5 31.7 39 40 A E G 3 S+ 0 0 95 1,-0.3 176,-0.1 31,-0.1 -3,-0.0 0.650 100.6 56.1 -56.9 -19.7 58.1 36.3 31.9 40 41 A D G < S+ 0 0 55 -3,-1.9 55,-2.8 54,-0.0 2,-0.5 0.497 85.1 99.0 -92.7 2.0 55.2 36.1 29.5 41 42 A V E < -C 94 0A 0 -3,-2.1 53,-0.2 -4,-0.4 78,-0.2 -0.742 51.7-169.8 -93.3 126.4 53.3 33.5 31.7 42 43 A V E - 0 0 1 51,-2.7 77,-1.8 -2,-0.5 2,-0.3 0.891 66.1 -46.5 -74.3 -47.2 50.6 35.0 33.9 43 44 A Q E -C 93 0A 3 50,-0.9 50,-2.6 75,-0.1 -1,-0.4 -0.951 51.5-130.4-176.6 170.1 50.1 31.8 35.9 44 45 A M E -Cd 92 72A 1 27,-2.0 29,-1.5 -2,-0.3 2,-0.4 -0.996 7.7-157.1-143.1 144.2 49.7 28.1 35.5 45 46 A L E -Cd 91 73A 2 46,-2.4 46,-2.5 -2,-0.4 2,-0.4 -0.954 9.7-167.9-118.6 138.7 47.1 25.6 36.8 46 47 A L E -Cd 90 74A 0 27,-1.9 29,-1.8 -2,-0.4 2,-0.3 -0.999 4.7-170.1-127.5 127.8 47.9 21.9 37.1 47 48 A S E -Cd 89 75A 1 42,-2.1 42,-1.4 -2,-0.4 2,-0.3 -0.778 3.4-167.4-117.0 165.8 45.3 19.2 37.8 48 49 A A E -Cd 88 76A 1 27,-0.9 29,-2.7 -2,-0.3 40,-0.2 -0.993 28.4-108.6-147.2 145.1 45.5 15.5 38.6 49 50 A T > - 0 0 11 38,-1.3 3,-2.0 -2,-0.3 29,-0.1 -0.443 40.7-105.3 -72.4 152.3 43.0 12.7 38.7 50 51 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.526 115.0 73.0 -68.2 1.0 42.1 11.4 42.3 51 52 A D T 3 S+ 0 0 52 36,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.341 83.7 83.3 -87.3 2.7 44.1 8.3 41.7 52 53 A L < + 0 0 2 -3,-2.0 142,-0.2 1,-0.1 -4,-0.1 -0.942 40.2 143.0-116.2 124.9 47.3 10.4 42.1 53 54 A H + 0 0 56 -2,-0.5 143,-2.5 142,-0.1 -1,-0.1 0.455 40.0 94.8-133.9 -3.7 48.7 11.1 45.5 54 55 A A S S- 0 0 31 141,-0.2 2,-0.3 1,-0.2 -38,-0.2 0.830 94.8 -21.5 -77.8 -33.6 52.5 11.1 45.5 55 56 A V S S- 0 0 13 -40,-0.1 -1,-0.2 139,-0.1 142,-0.0 -0.966 70.7 -90.4-162.5 160.3 53.5 14.7 45.0 56 57 A F > - 0 0 44 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.625 32.8-134.9 -69.0 136.7 52.1 18.0 43.6 57 58 A P T > S+ 0 0 1 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.869 97.5 76.8 -59.3 -35.9 52.9 18.3 39.8 58 59 A A T >> S+ 0 0 21 1,-0.3 3,-0.7 2,-0.2 4,-0.7 0.613 76.4 72.4 -47.0 -20.0 53.9 21.9 40.4 59 60 A K H <> S+ 0 0 69 -3,-1.3 4,-0.6 1,-0.3 3,-0.5 0.807 89.6 61.4 -75.0 -23.0 57.2 20.9 42.0 60 61 A A H <> S+ 0 0 0 -3,-2.5 4,-0.5 -4,-0.2 3,-0.3 0.716 93.3 65.1 -71.5 -21.6 58.3 19.9 38.4 61 62 A V H X4 S+ 0 0 3 -3,-0.7 3,-0.9 -4,-0.4 -1,-0.2 0.836 93.8 60.1 -69.2 -30.5 57.8 23.6 37.5 62 63 A R H 3< S+ 0 0 158 -4,-0.7 -1,-0.2 -3,-0.5 5,-0.2 0.859 94.0 65.7 -62.7 -34.0 60.7 24.6 39.9 63 64 A E H 3< S+ 0 0 28 -4,-0.6 2,-0.5 -3,-0.3 -1,-0.2 0.803 78.6 95.5 -59.9 -30.0 63.1 22.4 37.8 64 65 A L S X< S- 0 0 17 -3,-0.9 3,-2.4 -4,-0.5 4,-0.1 -0.505 84.9-121.5 -75.2 114.3 62.7 24.7 34.8 65 66 A S T 3 S+ 0 0 42 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.307 97.0 13.1 -49.8 125.6 65.6 27.1 34.9 66 67 A G T 3 S+ 0 0 34 618,-0.1 3,-0.3 -4,-0.1 -1,-0.3 0.353 102.9 96.2 86.5 -6.2 64.3 30.7 34.9 67 68 A W X + 0 0 13 -3,-2.4 3,-1.1 -6,-0.2 -2,-0.1 0.170 46.5 110.2-101.1 18.3 60.6 29.5 35.8 68 69 A Q T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -4,-0.1 -6,-0.1 0.680 79.7 43.0 -73.4 -12.8 61.1 30.1 39.6 69 70 A Y T 3 S+ 0 0 116 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.442 80.6 114.8-109.2 1.5 58.8 33.1 39.7 70 71 A V S < S- 0 0 8 -3,-1.1 2,-0.3 -9,-0.1 -27,-0.1 -0.580 70.8-125.3 -69.0 122.3 56.0 31.8 37.5 71 72 A P + 0 0 10 0, 0.0 -27,-2.0 0, 0.0 2,-0.3 -0.578 39.6 170.2 -75.5 129.7 52.9 31.4 39.9 72 73 A V E +d 44 0A 21 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.980 12.6 175.0-137.4 143.0 51.4 27.9 39.8 73 74 A T E -d 45 0A 5 -29,-1.5 -27,-1.9 -2,-0.3 2,-0.3 -0.989 21.1-130.3-152.4 153.3 48.8 25.9 41.8 74 75 A C E -d 46 0A 3 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.659 19.9-179.4 -99.8 155.2 47.2 22.6 41.6 75 76 A M E -d 47 0A 2 -29,-1.8 -27,-0.9 -2,-0.3 2,-0.5 -0.875 33.0 -97.6-142.8 168.1 43.6 21.5 41.7 76 77 A Q E -d 48 0A 10 115,-2.0 230,-2.8 230,-0.3 115,-0.2 -0.836 29.6-131.2 -96.1 136.4 41.8 18.2 41.5 77 78 A E - 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