==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-SEP-04 1XHO . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR H.XU,L.CHEN,D.LEE,J.E.HABEL,J.NGUYEN,S.-H.CHANG,I.KATAEVA, . 337 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 16.3 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 1 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 2 1 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 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 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 29 0, 0.0 2,-0.3 0, 0.0 92,-0.2 0.000 360.0 360.0 360.0 110.1 12.2 24.1 45.5 2 3 A W E -A 92 0A 33 90,-1.8 90,-2.9 95,-0.1 2,-0.4 -0.871 360.0-123.7-127.6 168.9 11.6 22.8 42.0 3 4 A A E -A 91 0A 5 265,-0.5 2,-0.4 -2,-0.3 88,-0.2 -0.929 15.9-156.2-117.2 141.0 11.3 19.3 40.6 4 5 A I E -A 90 0A 0 86,-3.1 86,-3.0 -2,-0.4 2,-0.4 -0.958 6.9-151.8-117.2 132.8 13.4 17.7 37.8 5 6 A R E +A 89 0A 20 -2,-0.4 99,-1.9 84,-0.2 2,-0.3 -0.804 14.0 179.2-100.6 142.5 12.3 14.7 35.7 6 7 A G E +Ab 88 104A 0 82,-2.4 82,-2.9 -2,-0.4 2,-0.3 -0.975 2.3 179.7-132.8 153.3 14.6 12.2 34.0 7 8 A A E +Ab 87 105A 0 97,-2.1 99,-3.0 -2,-0.3 2,-0.3 -0.984 9.0 153.9-150.2 149.1 14.0 9.1 31.9 8 9 A T E -A 86 0A 0 78,-2.3 78,-2.2 -2,-0.3 2,-0.3 -0.921 26.6-127.2-156.9 174.2 16.2 6.5 30.1 9 10 A T E -A 85 0A 18 -2,-0.3 2,-0.3 76,-0.2 76,-0.2 -0.904 8.5-142.1-131.7 162.2 16.1 3.0 28.9 10 11 A V - 0 0 8 74,-1.9 3,-0.1 -2,-0.3 8,-0.1 -0.815 14.7-138.5-115.5 158.8 18.2 -0.2 29.3 11 12 A S S S+ 0 0 66 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.713 87.6 16.4 -84.9 -26.8 18.9 -2.8 26.7 12 13 A D S S- 0 0 88 2,-0.1 2,-1.9 72,-0.1 -1,-0.2 -0.987 78.9-107.6-147.0 153.3 18.4 -5.7 29.2 13 14 A N S S+ 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.535 73.2 126.5 -79.1 71.5 16.9 -6.5 32.6 14 15 A T S > S- 0 0 63 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.904 70.0-120.3-127.1 157.3 20.3 -6.8 34.4 15 16 A A H > S+ 0 0 51 -2,-0.3 4,-2.5 38,-0.2 5,-0.2 0.896 113.0 51.3 -61.8 -41.2 21.7 -5.2 37.5 16 17 A D H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 111.9 45.6 -63.2 -43.9 24.7 -3.6 35.5 17 18 A E H > S+ 0 0 38 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.921 114.8 47.4 -67.9 -42.6 22.4 -2.1 32.8 18 19 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.946 117.9 41.3 -65.1 -47.9 19.9 -0.7 35.4 19 20 A V H X S+ 0 0 19 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.932 117.0 47.4 -67.3 -46.8 22.6 0.8 37.6 20 21 A A H X S+ 0 0 28 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.875 115.2 44.1 -63.1 -41.9 24.8 2.1 34.8 21 22 A E H X S+ 0 0 17 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.881 114.8 48.2 -74.0 -37.6 22.0 3.8 32.8 22 23 A T H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 5,-0.2 0.931 110.7 52.3 -63.8 -45.7 20.4 5.3 35.9 23 24 A Q H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.887 108.9 50.2 -58.9 -40.3 23.9 6.6 37.0 24 25 A K H X S+ 0 0 113 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.837 112.1 48.0 -64.4 -37.2 24.3 8.2 33.6 25 26 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.936 111.7 48.2 -69.5 -50.0 20.9 9.9 33.9 26 27 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.905 112.0 50.3 -55.6 -44.4 21.5 11.2 37.4 27 28 A K H X S+ 0 0 109 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.901 112.4 46.1 -64.9 -42.2 24.9 12.6 36.4 28 29 A E H X S+ 0 0 73 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.824 111.9 51.6 -71.2 -34.4 23.4 14.4 33.3 29 30 A X H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.921 112.9 46.5 -62.0 -45.6 20.5 15.7 35.4 30 31 A A H <>S+ 0 0 10 -4,-2.5 5,-2.6 -5,-0.2 4,-0.4 0.892 116.0 43.4 -65.2 -41.8 23.0 17.1 38.0 31 32 A E H ><5S+ 0 0 123 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.957 111.3 52.0 -72.3 -48.8 25.4 18.7 35.4 32 33 A K H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 119.1 38.6 -60.3 -20.5 22.7 20.3 33.2 33 34 A N T 3<5S- 0 0 8 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.329 108.7-119.0-113.1 3.8 21.2 21.9 36.3 34 35 A G T < 5 + 0 0 65 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.814 57.2 160.6 66.2 35.1 24.4 22.8 38.2 35 36 A L < - 0 0 21 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.633 29.0-173.4 -94.6 143.9 23.6 20.6 41.2 36 37 A E > - 0 0 135 -2,-0.3 3,-1.3 -5,-0.0 4,-0.4 -0.699 49.1 -96.8-109.3 176.1 25.7 19.2 44.0 37 38 A E G > S+ 0 0 32 -2,-0.3 3,-2.0 1,-0.3 27,-0.0 0.867 121.2 68.3 -61.3 -39.0 24.2 16.7 46.5 38 39 A D G 3 S+ 0 0 90 1,-0.3 -1,-0.3 54,-0.0 173,-0.1 0.724 99.0 52.0 -50.5 -26.1 23.6 19.6 49.0 39 40 A D G < S+ 0 0 50 -3,-1.3 54,-2.9 53,-0.1 2,-0.4 0.606 89.8 93.8 -87.6 -14.3 21.0 21.0 46.6 40 41 A I E < +C 92 0A 0 -3,-2.0 52,-0.2 -4,-0.4 29,-0.1 -0.701 44.2 178.2 -90.4 127.6 19.0 17.7 46.3 41 42 A I E - 0 0 2 50,-3.1 28,-0.7 -2,-0.4 75,-0.4 0.854 66.9 -19.8 -88.7 -47.3 16.1 17.2 48.6 42 43 A S E -Cd 91 69A 0 49,-1.3 49,-2.1 26,-0.1 2,-0.4 -0.992 49.9-146.2-161.0 155.5 14.9 13.8 47.4 43 44 A I E -Cd 90 70A 0 26,-2.4 28,-1.5 -2,-0.3 2,-0.5 -0.996 9.7-168.1-131.8 127.0 15.0 11.4 44.5 44 45 A I E -Cd 89 71A 1 45,-2.9 45,-2.9 -2,-0.4 2,-0.4 -0.975 10.1-166.9-113.1 126.5 12.2 9.1 43.5 45 46 A F E -Cd 88 72A 0 26,-2.8 28,-2.0 -2,-0.5 2,-0.3 -0.895 4.2-172.4-110.3 141.0 13.0 6.3 41.0 46 47 A T E -Cd 87 73A 1 41,-2.4 41,-2.3 -2,-0.4 2,-0.4 -0.975 3.7-166.7-126.6 152.0 10.5 4.2 39.0 47 48 A V E -Cd 86 74A 2 26,-1.3 28,-2.3 -2,-0.3 39,-0.2 -0.995 30.0-110.1-129.6 144.2 11.0 1.2 36.8 48 49 A T > - 0 0 10 37,-1.8 3,-2.5 -2,-0.4 29,-0.1 -0.360 41.5-106.3 -64.5 149.4 8.6 -0.4 34.4 49 50 A K T 3 S+ 0 0 138 1,-0.3 -1,-0.1 26,-0.2 34,-0.1 0.621 115.0 70.3 -66.1 -14.8 7.5 -3.8 35.7 50 51 A D T 3 S+ 0 0 50 35,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.639 91.0 73.6 -70.7 -17.5 9.6 -5.8 33.1 51 52 A L < + 0 0 1 -3,-2.5 139,-0.2 34,-0.1 -4,-0.1 -0.870 45.3 135.6 -97.6 130.2 12.7 -4.6 35.1 52 53 A D + 0 0 52 -2,-0.5 -1,-0.1 137,-0.1 3,-0.1 0.255 37.5 104.8-149.7 12.3 13.4 -6.2 38.5 53 54 A A S S- 0 0 37 1,-0.1 2,-0.3 138,-0.1 -38,-0.2 0.761 87.6 -4.9 -76.8 -27.7 17.2 -6.9 38.5 54 55 A A S S- 0 0 8 -40,-0.2 -1,-0.1 -39,-0.1 -40,-0.0 -0.991 71.6 -94.0-158.4 158.1 18.3 -4.1 40.9 55 56 A F > - 0 0 39 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.706 28.9-145.9 -69.6 120.8 17.3 -1.0 42.9 56 57 A P T >> S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.765 94.1 76.5 -57.3 -25.1 18.0 2.1 40.7 57 58 A A H 3> S+ 0 0 13 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.605 75.4 75.8 -61.6 -16.9 19.0 3.9 43.9 58 59 A I H <> S+ 0 0 73 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.889 89.8 58.3 -59.0 -39.4 22.3 2.0 43.9 59 60 A A H <> S+ 0 0 0 -3,-1.4 4,-0.9 -4,-0.3 -1,-0.2 0.870 102.3 52.0 -58.7 -42.0 23.4 4.5 41.1 60 61 A A H ><>S+ 0 0 0 -4,-0.5 5,-2.5 1,-0.2 3,-0.5 0.901 110.0 49.2 -60.8 -43.3 22.8 7.5 43.5 61 62 A R H ><5S+ 0 0 94 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.884 105.6 58.3 -60.8 -41.2 25.0 5.8 46.1 62 63 A N H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.696 103.6 52.3 -63.5 -23.5 27.7 5.2 43.4 63 64 A X T <<5S- 0 0 50 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.215 125.7-102.9 -94.9 13.6 27.8 8.9 42.8 64 65 A G T < 5S+ 0 0 42 -3,-1.8 2,-1.8 1,-0.2 3,-0.2 0.581 76.6 140.3 80.3 12.7 28.3 9.6 46.5 65 66 A W > < + 0 0 18 -5,-2.5 3,-0.5 1,-0.2 -1,-0.2 -0.469 18.1 138.1 -86.2 67.3 24.8 10.7 47.2 66 67 A T T 3 + 0 0 92 -2,-1.8 -1,-0.2 1,-0.2 -5,-0.1 0.458 63.6 54.7 -94.1 -4.2 24.7 8.9 50.5 67 68 A S T 3 S+ 0 0 46 -3,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.223 88.1 100.3-110.8 12.1 23.0 11.7 52.5 68 69 A T S < S- 0 0 4 -3,-0.5 2,-0.4 49,-0.0 -26,-0.1 -0.819 77.3-112.4-107.9 138.8 19.9 12.0 50.2 69 70 A A E -d 42 0A 2 -28,-0.7 -26,-2.4 -2,-0.4 2,-0.3 -0.548 42.0-175.0 -66.9 120.3 16.4 10.6 50.7 70 71 A L E +d 43 0A 5 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.911 11.9 178.4-121.5 147.8 15.8 7.9 48.0 71 72 A X E -d 44 0A 2 -28,-1.5 -26,-2.8 -2,-0.3 2,-0.4 -0.985 8.6-160.8-149.8 138.9 12.7 5.9 47.1 72 73 A C E +d 45 0A 2 -2,-0.3 117,-2.1 -28,-0.2 2,-0.2 -0.986 19.1 152.7-129.0 132.1 12.0 3.2 44.4 73 74 A X E -d 46 0A 1 -28,-2.0 -26,-1.3 -2,-0.4 2,-0.3 -0.800 44.4 -92.5-135.2 175.3 8.7 2.0 43.0 74 75 A N E -d 47 0A 26 113,-0.4 227,-0.5 -2,-0.2 -26,-0.2 -0.733 43.9-106.2 -88.8 149.0 7.4 0.5 39.8 75 76 A E - 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0 0 37 -2,-0.6 -2,-0.0 2,-0.1 -59,-0.0 -0.989 56.4-142.3-152.1 153.5 17.7 26.0 43.8 95 96 A D S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 2,-0.0 0.625 76.5 105.3 -89.3 -18.4 17.7 29.7 42.9 96 97 A K S S- 0 0 55 -63,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.365 76.4-119.6 -60.7 138.6 16.9 28.8 39.2 97 98 A D > - 0 0 109 1,-0.1 3,-2.7 -2,-0.0 4,-0.4 -0.489 28.7-100.1 -81.4 155.2 13.3 29.6 38.3 98 99 A K G > S+ 0 0 25 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.815 121.3 56.2 -42.4 -47.1 10.9 26.8 37.1 99 100 A K G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.689 103.3 56.0 -63.1 -20.2 11.4 27.6 33.4 100 101 A D G < S+ 0 0 97 -3,-2.7 2,-0.3 2,-0.1 -1,-0.3 0.363 78.4 111.9 -96.8 1.1 15.2 27.2 33.7 101 102 A I < - 0 0 15 -3,-1.7 2,-0.6 -4,-0.4 -68,-0.1 -0.623 62.3-142.3 -69.7 130.7 15.0 23.6 35.0 102 103 A K - 0 0 27 -2,-0.3 2,-0.3 -73,-0.2 -70,-0.1 -0.885 9.8-156.9-103.0 114.0 16.4 21.2 32.4 103 104 A H - 0 0 64 -2,-0.6 2,-0.5 -99,-0.1 -97,-0.2 -0.661 13.5-141.2 -87.1 144.6 14.6 17.8 32.2 104 105 A V E -b 6 0A 0 -99,-1.9 -97,-2.1 -2,-0.3 2,-0.5 -0.927 19.5-179.2-122.9 123.0 16.6 14.9 30.7 105 106 A Y E -b 7 0A 78 -2,-0.5 2,-0.3 -99,-0.2 -97,-0.2 -0.987 16.2-177.3-124.6 120.1 15.4 12.1 28.4 106 107 A L > - 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