==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-APR-01 1ID8 . COMPND 2 MOLECULE: METHYLASPARTATE MUTASE S CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM TETANOMORPHUM; . AUTHOR M.TOLLINGER,C.EICHMULLER,R.KONRAT,M.S.HUHTA,E.N.G.MARSH, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 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 . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 1 A M 0 0 72 0, 0.0 55,-0.0 0, 0.0 134,-0.0 0.000 360.0 360.0 360.0 -39.0 -2.2 5.3 10.9 2 2 A E + 0 0 118 2,-0.1 2,-0.3 132,-0.0 132,-0.1 0.037 360.0 136.3-107.7 19.8 -6.0 5.5 11.6 3 3 A K - 0 0 63 1,-0.1 2,-1.4 2,-0.1 53,-0.1 -0.538 61.8-124.3 -76.3 133.8 -6.3 7.6 8.4 4 4 A K S S+ 0 0 125 -2,-0.3 2,-0.2 28,-0.2 -1,-0.1 -0.657 71.3 106.3 -81.2 89.6 -9.3 6.7 6.3 5 5 A T + 0 0 0 -2,-1.4 52,-1.3 28,-0.1 51,-0.9 -0.735 32.7 168.5-174.4 120.2 -7.6 6.0 3.0 6 6 A I E -ab 34 57A 1 27,-1.0 29,-2.0 -2,-0.2 2,-0.6 -0.935 14.4-163.5-143.1 112.7 -6.8 2.7 1.2 7 7 A V E +ab 35 58A 18 50,-1.6 52,-2.1 -2,-0.4 2,-0.3 -0.880 21.9 177.2 -99.0 113.6 -5.6 2.8 -2.4 8 8 A L E +ab 36 59A 9 -2,-0.6 29,-2.0 27,-0.6 30,-0.6 -0.890 18.1 83.1-125.2 154.0 -6.0 -0.7 -3.9 9 9 A G E + b 0 60A 10 50,-1.4 52,-1.9 -2,-0.3 2,-0.4 -0.981 24.2 108.1 164.2-154.3 -5.4 -2.3 -7.3 10 10 A V + 0 0 6 28,-0.4 52,-0.1 30,-0.3 31,-0.1 -0.740 26.3 152.6 88.3-123.8 -2.9 -3.9 -9.7 11 11 A I - 0 0 22 -2,-0.4 51,-0.2 50,-0.1 -1,-0.1 0.505 28.4-143.9 67.0 148.2 -2.8 -7.7 -10.6 12 12 A G - 0 0 59 49,-0.1 2,-0.9 1,-0.1 53,-0.1 0.423 62.9 -13.0-102.6-121.8 -1.6 -9.2 -13.8 13 13 A S S S+ 0 0 126 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.825 87.1 114.0 -93.9 103.2 -2.9 -12.2 -15.7 14 14 A D S S- 0 0 97 -2,-0.9 2,-1.9 -3,-0.1 4,-0.5 -0.286 94.7 -72.1-172.5 73.0 -5.2 -14.0 -13.4 15 15 A C S S- 0 0 138 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.517 93.6 -59.4 71.3 -84.2 -8.8 -14.0 -14.6 16 16 A H S S- 0 0 141 -2,-1.9 -1,-0.2 -3,-0.1 2,-0.1 0.195 109.1 -19.2-154.6 -65.7 -9.4 -10.3 -13.8 17 17 A A + 0 0 23 -4,-0.1 4,-0.4 2,-0.1 -2,-0.1 -0.578 50.3 165.1-165.3 92.0 -8.9 -9.5 -10.2 18 18 A V S S+ 0 0 84 -4,-0.5 -3,-0.1 1,-0.2 -7,-0.0 0.068 88.1 56.7 -92.3 19.0 -9.0 -12.3 -7.6 19 19 A G S S+ 0 0 21 42,-0.1 4,-0.5 -9,-0.1 -1,-0.2 0.571 87.1 69.3-115.2 -32.6 -7.3 -9.7 -5.3 20 20 A N S >> S+ 0 0 71 1,-0.2 3,-2.4 2,-0.1 4,-1.1 0.859 71.6 137.6 -46.2 -40.4 -10.1 -7.1 -5.6 21 21 A K T 34 S- 0 0 98 -4,-0.4 -1,-0.2 1,-0.4 -3,-0.1 0.227 94.8 -68.4 -12.5 55.4 -11.6 -10.0 -3.6 22 22 A I T >> S+ 0 0 79 1,-0.1 3,-0.8 3,-0.1 4,-0.5 0.785 91.3 142.3 43.1 44.6 -13.3 -7.6 -1.4 23 23 A L T X4 S+ 0 0 18 -3,-2.4 3,-1.2 -4,-0.5 4,-0.4 0.826 77.7 62.7 -68.7 -24.1 -10.0 -6.4 0.1 24 24 A D T >X S+ 0 0 33 -4,-1.1 3,-1.1 1,-0.3 4,-0.7 0.728 87.9 68.7 -67.2 -16.0 -12.1 -3.2 -0.1 25 25 A H H X> S+ 0 0 54 -3,-0.8 4,-0.9 1,-0.3 3,-0.6 0.846 89.9 62.2 -69.7 -26.3 -14.5 -5.0 2.3 26 26 A S H << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.706 89.7 69.3 -67.6 -20.2 -11.7 -4.6 4.8 27 27 A F H X>>S+ 0 0 59 -3,-1.1 5,-2.6 -4,-0.4 3,-1.5 0.928 101.5 45.0 -58.6 -46.3 -12.2 -0.8 4.2 28 28 A T H <<5S+ 0 0 91 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.758 109.0 55.7 -67.1 -29.7 -15.5 -1.2 6.1 29 29 A N T 3<5S+ 0 0 105 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.189 114.6 40.5 -88.7 10.9 -13.8 -3.3 8.7 30 30 A A T <45S- 0 0 20 -3,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.366 103.9-124.5-134.0 -8.8 -11.4 -0.4 9.2 31 31 A G T <5 + 0 0 61 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.820 69.7 138.0 60.9 31.5 -13.9 2.5 9.0 32 32 A F < - 0 0 16 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.248 55.3 -99.4 -99.7-175.2 -11.6 3.8 6.2 33 33 A N - 0 0 69 -30,-0.1 -27,-1.0 -2,-0.1 2,-0.4 -0.762 29.6-119.4-108.7 154.6 -12.1 5.3 2.8 34 34 A V E +a 6 0A 54 -2,-0.3 -27,-0.2 -29,-0.2 -30,-0.0 -0.790 30.3 167.8 -99.9 135.1 -11.9 3.6 -0.6 35 35 A V E +a 7 0A 12 -29,-2.0 -27,-0.6 -2,-0.4 2,-0.4 -0.446 14.0 171.0-140.4 54.9 -9.4 4.7 -3.2 36 36 A N E +a 8 0A 73 -29,-0.2 -27,-0.2 1,-0.2 3,-0.1 -0.613 7.1 175.9 -73.8 126.4 -9.7 1.9 -5.7 37 37 A I - 0 0 51 -29,-2.0 2,-0.3 -2,-0.4 -1,-0.2 0.897 38.3-122.6 -89.8 -65.7 -7.7 2.9 -8.8 38 38 A G - 0 0 24 -30,-0.6 -28,-0.4 2,-0.3 -1,-0.2 -0.822 56.8 -32.6 162.9-116.8 -8.1 -0.3 -10.8 39 39 A V S S+ 0 0 75 -30,-0.3 2,-0.2 -2,-0.3 -30,-0.1 0.010 102.1 108.4-126.1 23.1 -5.4 -2.6 -12.2 40 40 A L - 0 0 111 2,-0.0 -30,-0.3 3,-0.0 2,-0.3 -0.505 67.7-134.6 -98.9 167.9 -2.9 0.2 -12.9 41 41 A S + 0 0 50 -2,-0.2 2,-1.0 -32,-0.1 4,-0.1 -0.670 31.1 178.8-123.6 66.5 0.3 0.9 -11.1 42 42 A S + 0 0 33 -2,-0.3 -2,-0.0 1,-0.2 -5,-0.0 -0.660 12.0 159.2 -77.8 102.8 -0.2 4.7 -10.8 43 43 A Q S > S+ 0 0 26 -2,-1.0 4,-0.8 3,-0.1 -1,-0.2 0.895 73.8 16.6 -88.2 -85.9 2.9 5.7 -9.0 44 44 A E T 4 S+ 0 0 153 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.565 129.5 56.1 -67.2 -11.3 3.7 9.4 -9.5 45 45 A D T > S+ 0 0 113 2,-0.2 4,-0.7 1,-0.1 3,-0.3 0.895 114.0 34.7 -89.2 -45.6 0.1 9.8 -10.7 46 46 A F T 4 S+ 0 0 53 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.442 109.9 66.9 -87.7 3.2 -1.7 8.5 -7.7 47 47 A I T < S+ 0 0 35 -4,-0.8 3,-0.4 2,-0.2 4,-0.3 0.772 99.9 50.8 -83.6 -29.0 1.1 10.0 -5.6 48 48 A N T > S+ 0 0 115 -4,-0.4 4,-0.7 -3,-0.3 3,-0.4 0.796 114.3 43.0 -73.1 -27.9 -0.3 13.3 -6.7 49 49 A A H X S+ 0 0 11 -4,-0.7 4,-2.5 1,-0.2 5,-0.4 0.358 101.1 71.5 -95.7 2.9 -3.7 11.9 -5.5 50 50 A A H 4 S+ 0 0 6 -3,-0.4 5,-0.3 2,-0.2 34,-0.2 0.500 100.3 45.9 -90.4 -9.1 -1.9 10.6 -2.4 51 51 A I H 4 S+ 0 0 81 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.1 0.757 115.6 50.0 -91.2 -36.9 -1.7 14.2 -1.3 52 52 A E H < S+ 0 0 149 -4,-0.7 -2,-0.2 1,-0.1 -3,-0.1 0.983 127.9 18.3 -62.0 -69.1 -5.3 14.5 -2.3 53 53 A T S < S- 0 0 41 -4,-2.5 -3,-0.2 -18,-0.0 -1,-0.1 0.834 102.2-127.4 -78.3 -32.4 -6.9 11.5 -0.5 54 54 A K - 0 0 78 -5,-0.4 -3,-0.2 1,-0.1 -4,-0.1 0.946 22.9-133.9 81.1 61.1 -3.9 11.2 1.8 55 55 A A - 0 0 3 -5,-0.3 -49,-0.1 1,-0.2 3,-0.1 -0.229 24.9-174.8 -50.8 118.3 -3.2 7.5 1.2 56 56 A D - 0 0 4 -51,-0.9 31,-0.6 1,-0.4 2,-0.3 0.901 69.4 -0.6 -83.3 -49.4 -2.7 5.9 4.6 57 57 A L E -bc 6 87A 0 -52,-1.3 -50,-1.6 28,-0.1 2,-0.4 -0.947 64.4-135.8-142.8 161.2 -1.8 2.5 3.2 58 58 A I E -bc 7 88A 14 29,-1.1 31,-1.2 -2,-0.3 2,-0.5 -0.944 11.8-164.2-120.3 137.2 -1.4 0.8 -0.2 59 59 A C E -b 8 0A 4 -52,-2.1 -50,-1.4 -2,-0.4 2,-0.3 -0.973 8.9-165.5-127.9 112.3 -2.7 -2.7 -1.0 60 60 A V E -b 9 0A 7 -2,-0.5 31,-0.8 29,-0.4 2,-0.4 -0.770 15.1-155.9-100.6 142.6 -1.2 -4.3 -4.1 61 61 A S E +d 91 0A 22 -52,-1.9 2,-0.3 -2,-0.3 -49,-0.1 -0.594 67.2 80.8-114.4 63.6 -2.8 -7.3 -5.6 62 62 A S E -d 92 0A 7 29,-1.6 31,-1.7 -2,-0.4 2,-0.6 -0.943 67.7-140.9-168.7 148.6 0.3 -8.6 -7.4 63 63 A L S S- 0 0 87 -2,-0.3 32,-0.2 29,-0.3 29,-0.1 -0.728 99.3 -28.4-115.1 70.6 3.5 -10.4 -6.7 64 64 A Y S S+ 0 0 81 -2,-0.6 -1,-0.3 30,-0.1 4,-0.1 0.965 96.8 124.1 72.2 87.3 5.6 -8.2 -8.8 65 65 A G S S+ 0 0 45 -3,-0.2 -4,-0.1 2,-0.2 -2,-0.0 -0.193 73.0 58.6-158.3 33.5 3.3 -6.9 -11.5 66 66 A Q S >> S- 0 0 10 1,-0.1 4,-0.8 -56,-0.1 3,-0.7 0.270 95.7-145.0-144.8 -14.7 4.2 -3.3 -10.7 67 67 A G H 3> - 0 0 29 1,-0.2 4,-0.8 2,-0.2 3,-0.2 -0.207 50.7 -43.5 73.8-162.8 8.0 -3.5 -11.2 68 68 A E H 3> S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.338 126.8 80.3 -82.2 3.3 10.7 -1.6 -9.3 69 69 A I H <4 S+ 0 0 94 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.979 99.9 32.2 -73.1 -61.4 8.3 1.4 -9.6 70 70 A D H >X S+ 0 0 20 -4,-0.8 4,-1.1 -3,-0.2 3,-0.5 0.746 117.6 62.7 -67.8 -24.6 6.0 0.4 -6.7 71 71 A C H >X S+ 0 0 4 -4,-0.8 4,-0.8 1,-0.2 3,-0.6 0.998 120.0 19.2 -62.9 -72.1 9.0 -1.2 -5.0 72 72 A K H 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 -0.041 113.6 84.2 -90.2 33.1 11.1 2.0 -4.5 73 73 A G H <4 S+ 0 0 2 -3,-0.5 4,-0.4 2,-0.1 -1,-0.2 0.837 100.5 26.9 -95.7 -47.6 7.9 4.0 -5.0 74 74 A L H << S+ 0 0 9 -4,-1.1 4,-0.4 -3,-0.6 6,-0.2 0.649 120.0 58.1 -89.8 -20.8 6.6 3.9 -1.4 75 75 A R S X S+ 0 0 16 -4,-0.8 4,-1.8 -5,-0.2 3,-0.3 0.841 109.6 45.3 -74.8 -31.8 10.2 3.4 -0.1 76 76 A E T 4 S+ 0 0 128 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.719 106.7 59.6 -78.1 -23.8 10.9 6.8 -1.9 77 77 A K T >>S+ 0 0 5 -4,-0.4 4,-0.7 2,-0.2 5,-0.6 0.611 109.9 43.1 -77.0 -16.1 7.6 8.1 -0.4 78 78 A C T 45S+ 0 0 29 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.821 113.6 48.7 -90.3 -43.4 9.2 7.3 3.1 79 79 A D T <5S+ 0 0 137 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.379 103.3 66.6 -75.4 -1.5 12.4 8.8 2.0 80 80 A E T 45S- 0 0 105 3,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.902 82.3-164.9 -80.8 -53.5 10.2 11.6 0.8 81 81 A A T <5S+ 0 0 92 -4,-0.7 -3,-0.1 2,-0.4 3,-0.1 0.917 75.9 65.6 61.7 48.8 9.3 12.4 4.4 82 82 A G S > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.707 129.0 72.0 -64.8 -23.4 18.7 -9.3 -1.4 104 104 A V H >> S+ 0 0 38 1,-0.3 4,-0.9 2,-0.2 3,-0.8 0.990 110.9 22.0 -57.8 -71.0 15.7 -7.4 -2.7 105 105 A E H 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 -4,-0.2 0.017 104.7 89.0 -90.3 29.4 13.8 -6.9 0.6 106 106 A Q H <> S+ 0 0 140 -3,-0.7 4,-0.7 2,-0.2 3,-0.5 0.840 101.8 31.5 -82.5 -41.2 17.1 -7.4 2.5 107 107 A R H - 0 0 47 -2,-0.1 3,-0.9 0, 0.0 4,-0.1 -0.845 29.0-105.1-143.2 170.7 -7.5 -15.5 2.5 123 123 A P T 3 S+ 0 0 47 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.502 116.8 75.8 -79.6 -4.6 -9.6 -12.3 2.9 124 124 A E T 3> S+ 0 0 141 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.735 89.0 57.0 -72.8 -25.7 -9.6 -13.4 6.6 125 125 A T T <4 S+ 0 0 34 -3,-0.9 -1,-0.2 1,-0.2 -4,-0.0 0.632 97.2 62.0 -79.4 -17.5 -6.1 -12.0 6.5 126 126 A T T > S+ 0 0 8 -3,-0.4 4,-1.0 2,-0.3 3,-0.5 0.671 93.1 60.2 -84.0 -16.8 -7.5 -8.7 5.4 127 127 A I T 4 S+ 0 0 96 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.887 108.6 46.3 -68.2 -32.9 -9.4 -8.5 8.6 128 128 A A T X S+ 0 0 23 -4,-0.7 4,-1.2 1,-0.2 5,-0.3 0.427 95.3 83.1 -83.1 -1.2 -5.9 -8.6 9.8 129 129 A D H > S+ 0 0 0 -3,-0.5 4,-1.3 1,-0.2 3,-0.3 0.998 108.6 19.2 -61.3 -65.3 -5.1 -5.9 7.2 130 130 A M H < S+ 0 0 9 -4,-1.0 4,-0.3 1,-0.2 -1,-0.2 0.255 115.6 74.2 -90.1 9.3 -6.2 -3.0 9.3 131 131 A K H > S+ 0 0 146 3,-0.1 4,-0.6 2,-0.1 5,-0.2 0.851 109.5 27.2 -88.7 -34.2 -6.0 -5.0 12.6 132 132 A E H X S+ 0 0 56 -4,-1.2 4,-0.7 -3,-0.3 -2,-0.2 0.870 122.8 50.2 -90.0 -43.5 -2.1 -4.9 12.7 133 133 A V H < S+ 0 0 0 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.791 120.8 35.7 -66.5 -31.2 -1.5 -1.7 10.7 134 134 A L H 4 S+ 0 0 33 -4,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.798 122.2 49.5 -90.1 -33.8 -4.0 0.3 12.8 135 135 A G H < S- 0 0 42 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.968 117.1 -62.3 -64.5 -91.7 -3.1 -1.6 16.0 136 136 A V < 0 0 123 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.966 360.0 360.0-164.4 153.1 0.7 -1.6 16.5 137 137 A E 0 0 151 -2,-0.3 -5,-0.0 -4,-0.1 -4,-0.0 -0.967 360.0 360.0-141.9 360.0 3.8 -2.9 14.7