==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-APR-99 1CIV . COMPND 2 MOLECULE: NADP-MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVERIA BIDENTIS; . AUTHOR P.D.CARR,A.R.ASHTON,D.VERGER,D.L.OLLIS . 374 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.0 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 . 1 0.3 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 . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 1 0 0 0 1 1 1 0 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 12 A L 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.6 2.5 101.6 64.0 2 13 A P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 4,-0.0 -0.036 360.0 164.6 -55.0 152.4 0.4 104.1 66.0 3 14 A A S S+ 0 0 71 3,-0.0 3,-0.1 143,-0.0 100,-0.1 -0.861 77.6 21.7-162.8 135.8 -3.0 103.5 67.7 4 15 A K S S+ 0 0 215 -2,-0.3 2,-1.1 1,-0.2 99,-0.0 0.198 94.7 114.6 80.3 -15.0 -4.3 106.0 70.4 5 16 A Q - 0 0 28 97,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.771 51.3-172.1 -89.6 98.5 -1.9 108.5 68.8 6 17 A K - 0 0 72 -2,-1.1 2,-0.3 -3,-0.1 98,-0.1 -0.685 27.6-101.3 -95.0 148.3 -4.3 111.1 67.4 7 18 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 91,-0.1 -0.535 32.8-132.3 -72.8 124.9 -3.3 114.0 65.1 8 19 A E - 0 0 77 -2,-0.3 89,-0.4 89,-0.2 6,-0.0 -0.524 23.1-120.8 -77.2 140.9 -3.0 117.5 66.8 9 20 A a - 0 0 63 -2,-0.2 2,-0.4 87,-0.2 87,-0.2 -0.024 23.2-111.9 -71.5 178.6 -4.7 120.4 65.1 10 21 A F > - 0 0 35 85,-1.5 3,-2.1 86,-0.1 4,-0.3 -0.967 49.4 -64.3-124.7 137.3 -3.1 123.7 63.9 11 22 A G T 3 S+ 0 0 40 -2,-0.4 -1,-0.0 1,-0.3 74,-0.0 0.216 120.7 1.7 -21.6 94.4 -3.5 127.3 65.2 12 23 A V T > S+ 0 0 81 4,-0.0 3,-0.9 0, 0.0 -1,-0.3 -0.406 119.4 76.8 116.6 -38.9 -7.0 128.6 64.8 13 24 A F T < S+ 0 0 18 -3,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.566 90.3 58.1 -73.8 -7.2 -8.2 125.4 63.4 14 25 A a T 3 S+ 0 0 63 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.721 98.3 59.7 -89.3 -26.2 -8.1 124.2 67.0 15 26 A L S < S+ 0 0 138 -3,-0.9 -2,-0.2 0, 0.0 -1,-0.2 0.197 81.3 137.6 -87.5 16.6 -10.6 126.9 68.0 16 27 A T - 0 0 41 -3,-0.3 -3,-0.1 77,-0.1 77,-0.0 -0.328 50.0-113.4 -73.2 149.6 -13.2 125.6 65.6 17 28 A Y - 0 0 67 -2,-0.1 -1,-0.1 76,-0.0 3,-0.0 0.580 39.8 -74.1 -57.8-158.0 -17.0 125.3 66.4 18 29 A D S S- 0 0 117 1,-0.1 2,-0.2 2,-0.0 3,-0.0 0.966 81.3 -61.1 -70.8 -88.6 -19.4 122.4 66.8 19 30 A L > - 0 0 71 5,-0.1 3,-1.0 1,-0.0 4,-0.3 -0.673 46.6-114.1-172.2 108.1 -20.3 120.8 63.5 20 31 A K T 3 S+ 0 0 15 1,-0.2 3,-0.3 -2,-0.2 8,-0.2 0.526 96.8 80.1 -12.0 -45.9 -22.0 122.7 60.7 21 32 A A T 3 S+ 0 0 69 1,-0.2 -1,-0.2 8,-0.2 5,-0.1 0.400 97.8 28.2 -59.4 -3.1 -25.3 120.7 60.6 22 33 A E S < S+ 0 0 90 -3,-1.0 -1,-0.2 2,-0.3 -2,-0.1 0.703 119.0 23.9-134.1 -25.6 -27.2 122.3 63.6 23 34 A E S S+ 0 0 80 1,-0.5 2,-0.4 -4,-0.3 3,-0.2 0.811 120.7 3.8-106.0 -71.3 -26.6 125.9 64.6 24 35 A E S S+ 0 0 76 1,-0.2 -1,-0.5 -4,-0.1 -2,-0.3 -0.921 126.1 23.6-120.0 146.3 -25.2 128.0 61.8 25 36 A T > + 0 0 31 -2,-0.4 3,-1.5 -3,-0.1 -1,-0.2 0.929 62.2 162.2 65.6 48.7 -24.7 126.9 58.3 26 37 A K T 3 + 0 0 73 1,-0.3 -1,-0.1 -3,-0.2 -5,-0.1 0.454 69.5 73.4 -74.6 -3.5 -27.3 124.1 58.4 27 38 A S T 3 S+ 0 0 89 -7,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.683 82.1 95.1 -78.7 -22.2 -27.1 124.2 54.6 28 39 A W S < S- 0 0 50 -3,-1.5 33,-0.2 -8,-0.2 3,-0.1 -0.443 73.4-130.8 -74.9 144.1 -23.7 122.5 55.0 29 40 A K - 0 0 118 31,-2.9 2,-0.3 1,-0.2 -8,-0.2 -0.042 46.1 -67.2 -78.6-176.2 -23.2 118.8 54.7 30 41 A K - 0 0 77 1,-0.1 -1,-0.2 -10,-0.1 -11,-0.0 -0.602 68.6 -88.9 -77.9 139.1 -21.3 116.7 57.3 31 42 A I - 0 0 59 -2,-0.3 2,-0.5 -3,-0.1 32,-0.2 -0.083 37.3-139.1 -50.3 139.5 -17.5 117.5 57.3 32 43 A I E -a 63 0A 21 30,-2.1 32,-2.1 -3,-0.1 2,-0.7 -0.919 9.1-138.9-105.9 129.5 -15.2 115.5 54.9 33 44 A N E -a 64 0A 28 -2,-0.5 76,-2.8 74,-0.2 77,-1.3 -0.785 24.0-176.9 -91.0 117.6 -11.8 114.3 56.1 34 45 A V E -ab 65 110A 0 30,-3.3 32,-2.6 -2,-0.7 2,-0.3 -0.951 8.5-164.3-119.9 128.7 -9.1 114.8 53.4 35 46 A A E -ab 66 111A 0 75,-3.1 77,-2.9 -2,-0.5 2,-0.4 -0.847 3.6-167.0-109.4 145.8 -5.6 113.7 53.8 36 47 A V E > -ab 67 112A 0 30,-2.5 32,-2.6 -2,-0.3 3,-0.6 -0.969 4.4-161.0-136.1 117.1 -2.8 114.9 51.6 37 48 A S E 3 S+ b 0 113A 1 75,-1.8 77,-0.7 -2,-0.4 32,-0.2 -0.503 84.8 34.4 -87.0 167.3 0.7 113.4 51.4 38 49 A G T > S+ 0 0 24 30,-0.3 3,-2.6 -2,-0.2 6,-0.4 0.743 79.3 161.3 58.8 23.6 3.4 115.6 49.9 39 50 A A T < + 0 0 0 29,-1.7 30,-0.1 -3,-0.6 -1,-0.1 0.608 65.1 51.1 -50.9 -22.4 1.5 118.4 51.6 40 51 A A T 3 S+ 0 0 28 28,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.288 92.2 100.1-101.7 6.8 4.4 120.8 51.5 41 52 A G S <> S- 0 0 31 -3,-2.6 4,-2.7 73,-0.1 5,-0.1 -0.309 86.3 -98.5 -85.1 178.4 5.2 120.3 47.8 42 53 A M H > S+ 0 0 108 2,-0.2 4,-0.6 1,-0.2 5,-0.1 0.851 118.8 49.1 -67.0 -41.2 4.2 122.6 44.8 43 54 A I H >> S+ 0 0 31 2,-0.2 4,-3.3 1,-0.2 3,-0.8 0.914 114.5 48.0 -66.2 -39.5 1.2 120.7 43.5 44 55 A S H 3> S+ 0 0 0 -6,-0.4 4,-2.9 1,-0.3 5,-0.3 0.957 101.1 63.0 -64.5 -48.2 -0.1 120.7 47.0 45 56 A N H 3< S+ 0 0 48 -4,-2.7 -1,-0.3 1,-0.2 4,-0.3 0.680 116.3 33.9 -50.6 -20.5 0.6 124.4 47.5 46 57 A H H XX S+ 0 0 75 -3,-0.8 4,-1.3 -4,-0.6 3,-0.7 0.834 117.6 50.8 -97.6 -56.9 -2.0 124.8 44.7 47 58 A L H >X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.6 0.854 101.2 62.9 -45.6 -53.7 -4.4 121.9 45.4 48 59 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.856 104.1 44.7 -43.5 -51.2 -4.9 122.8 49.1 49 60 A F H <> S+ 0 0 36 -3,-0.7 4,-2.1 -5,-0.3 -1,-0.2 0.838 109.5 56.0 -69.2 -29.8 -6.5 126.2 48.6 50 61 A K H <<>S+ 0 0 46 -4,-1.3 5,-1.5 -3,-0.6 6,-1.0 0.873 111.4 45.7 -67.1 -36.2 -8.7 124.9 45.8 51 62 A L H ><5S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 6,-0.3 0.974 112.7 48.8 -68.4 -52.8 -9.9 122.3 48.3 52 63 A A H 3<5S+ 0 0 1 -4,-2.8 39,-0.5 1,-0.3 40,-0.4 0.776 105.9 58.5 -57.9 -31.9 -10.3 124.9 51.1 53 64 A S T 3<5S- 0 0 47 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.551 113.5-114.9 -78.1 -7.8 -12.3 127.2 48.8 54 65 A G T <>5S+ 0 0 10 -3,-2.0 4,-1.3 -4,-0.3 -3,-0.2 0.569 80.8 126.9 85.1 7.0 -14.9 124.6 48.1 55 66 A E T 4< - 0 0 12 -4,-1.3 3,-0.7 1,-0.1 -1,-0.3 -0.368 35.4 -76.7 113.3 167.5 -18.7 122.3 46.7 59 70 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.424 124.5 53.0 -83.6 -3.8 -19.7 125.4 48.7 60 71 A D T 3 S+ 0 0 60 -3,-0.2 -31,-2.9 -6,-0.1 -2,-0.1 -0.119 87.1 95.1-121.6 35.4 -21.7 123.5 51.2 61 72 A Q < - 0 0 14 -3,-0.7 -4,-0.2 -33,-0.2 2,-0.1 -0.832 62.2-152.6-131.6 91.3 -19.0 121.0 52.2 62 73 A P - 0 0 2 0, 0.0 -30,-2.1 0, 0.0 2,-0.3 -0.445 22.6-150.9 -62.1 135.4 -16.9 121.8 55.2 63 74 A I E -ac 32 92A 1 28,-2.7 30,-1.5 -32,-0.2 31,-1.1 -0.752 16.2-155.3-114.9 156.2 -13.5 120.2 54.9 64 75 A S E -ac 33 94A 4 -32,-2.1 -30,-3.3 -2,-0.3 2,-0.5 -0.994 15.5-153.7-130.1 120.8 -10.8 118.9 57.3 65 76 A L E -ac 34 95A 0 29,-2.9 31,-2.2 -2,-0.4 2,-0.6 -0.875 12.6-174.1-104.9 127.7 -7.2 118.7 56.1 66 77 A K E -ac 35 96A 7 -32,-2.6 -30,-2.5 -2,-0.5 2,-0.7 -0.958 16.7-159.8-117.8 104.0 -4.7 116.2 57.4 67 78 A L E -ac 36 97A 0 29,-3.1 31,-2.2 -2,-0.6 2,-0.5 -0.819 3.8-163.8 -94.5 112.9 -1.4 117.2 55.8 68 79 A L E + c 0 98A 6 -32,-2.6 -29,-1.7 -2,-0.7 -30,-0.3 -0.823 23.2 152.3 -97.1 127.9 1.3 114.4 55.8 69 80 A G - 0 0 18 29,-2.7 2,-0.3 -2,-0.5 5,-0.1 -0.356 36.9 -96.1-129.2-149.5 4.8 115.6 55.2 70 81 A S > - 0 0 49 -2,-0.1 3,-0.7 1,-0.1 4,-0.2 -0.987 30.6-105.7-144.6 149.3 8.3 114.5 56.0 71 82 A E G > S+ 0 0 139 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 0.868 118.0 49.8 -33.2 -61.0 11.0 115.4 58.6 72 83 A R G 3 S+ 0 0 92 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.859 117.0 39.6 -53.3 -43.7 13.1 117.4 56.1 73 84 A S G <> S+ 0 0 58 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.080 80.3 110.5 -99.8 26.9 10.1 119.5 54.8 74 85 A F H <> S+ 0 0 66 -3,-1.8 4,-2.4 2,-0.2 5,-0.2 0.937 75.6 54.8 -66.4 -43.6 8.4 120.0 58.1 75 86 A A H > S+ 0 0 71 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.908 108.6 51.6 -54.8 -39.9 9.2 123.7 58.3 76 87 A A H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 107.2 51.0 -62.6 -47.6 7.6 124.0 54.8 77 88 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.868 108.4 52.0 -58.9 -40.0 4.4 122.2 56.0 78 89 A E H X S+ 0 0 86 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.920 110.3 51.1 -61.7 -41.6 4.2 124.6 59.0 79 90 A G H X S+ 0 0 29 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.929 109.5 46.7 -61.2 -48.2 4.5 127.4 56.4 80 91 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.933 112.9 50.5 -61.3 -42.8 1.7 126.1 54.2 81 92 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.858 107.9 54.2 -63.4 -32.4 -0.5 125.6 57.2 82 93 A M H X S+ 0 0 94 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.881 109.0 47.0 -69.3 -35.6 0.3 129.2 58.2 83 94 A E H < S+ 0 0 98 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.890 107.4 58.9 -70.7 -35.5 -0.9 130.3 54.8 84 95 A L H ><>S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 5,-0.5 0.908 106.5 46.8 -59.5 -41.8 -3.9 128.2 55.2 85 96 A E H ><5S+ 0 0 45 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.844 108.4 54.1 -72.9 -29.6 -4.9 130.1 58.4 86 97 A D T 3<5S+ 0 0 124 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.368 96.5 70.7 -82.8 4.6 -4.3 133.5 56.8 87 98 A S T < 5S- 0 0 43 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.649 88.1-147.4 -93.8 -17.4 -6.7 132.6 54.0 88 99 A L T < 5 + 0 0 139 -3,-0.8 -3,-0.1 -4,-0.4 -2,-0.1 0.831 26.5 176.3 55.1 39.3 -9.8 132.7 56.2 89 100 A Y > < - 0 0 80 -5,-0.5 3,-0.6 1,-0.2 -1,-0.2 -0.652 21.4-156.7 -79.9 116.2 -11.6 129.9 54.3 90 101 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -37,-0.1 0.796 91.3 55.2 -60.0 -36.5 -14.9 129.1 56.1 91 102 A L T 3 S+ 0 0 14 -39,-0.5 -28,-2.7 1,-0.2 2,-2.1 0.824 86.3 85.8 -70.4 -28.5 -15.1 125.6 54.7 92 103 A L E < +c 63 0A 4 -3,-0.6 -1,-0.2 -40,-0.4 -28,-0.2 -0.508 54.5 166.8 -76.2 81.9 -11.7 124.8 56.0 93 104 A R E - 0 0 66 -2,-2.1 2,-0.3 -30,-1.5 -1,-0.2 0.784 61.3 -0.7 -68.3 -34.0 -13.0 123.8 59.5 94 105 A Q E -c 64 0A 80 -31,-1.1 -29,-2.9 -3,-0.2 2,-0.3 -0.979 55.7-173.2-161.9 144.9 -9.8 122.1 60.6 95 106 A V E -c 65 0A 1 -2,-0.3 -85,-1.5 -85,-0.3 2,-0.3 -0.985 3.3-174.8-138.0 148.8 -6.2 121.2 59.5 96 107 A S E -c 66 0A 10 -31,-2.2 -29,-3.1 -2,-0.3 2,-0.4 -0.992 8.3-157.7-143.8 138.0 -3.5 119.2 61.1 97 108 A I E +c 67 0A 22 -89,-0.4 2,-0.3 -2,-0.3 -29,-0.2 -0.922 27.2 130.7-119.2 146.4 0.1 118.7 60.0 98 109 A G E -c 68 0A 14 -31,-2.2 -29,-2.7 -2,-0.4 -2,-0.0 -0.979 53.3-118.6-172.9 179.7 2.5 115.9 60.8 99 110 A I S S+ 0 0 77 -2,-0.3 -28,-0.2 -31,-0.2 -31,-0.1 0.332 80.5 91.6-118.3 5.3 4.9 113.2 59.6 100 111 A D >> - 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