==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/INHIBITOR 16-FEB-12 4AJN . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.A.TUCKER,C.BRASSINGTON,G.HASSALL,M.WATSON,R.WARD,J.TART,G. . 1318 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 966 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 9.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 88 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 4 4 0 0 0 0 0 0 8 4 0 8 1 0 10 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 10 5 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 . 8 10 4 4 1 0 0 4 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 . 3 4 0 0 0 0 0 0 0 4 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 A > 0 0 87 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 138.0 24.6 32.8 13.6 2 3 A L H >> + 0 0 10 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.929 360.0 57.0 -56.9 -45.2 21.8 31.9 16.1 3 4 A K H 3> S+ 0 0 88 1,-0.3 4,-3.3 2,-0.2 3,-0.3 0.888 108.5 45.9 -52.2 -45.6 23.7 28.7 17.2 4 5 A D H 34 S+ 0 0 100 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.684 108.6 55.6 -75.2 -20.8 26.8 30.8 18.2 5 6 A Q H << S+ 0 0 46 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.753 119.1 34.7 -76.5 -25.2 24.7 33.4 20.0 6 7 A L H < S+ 0 0 0 -4,-1.5 959,-3.2 -3,-0.3 2,-0.4 0.877 120.3 39.7 -94.2 -45.3 23.3 30.5 22.1 7 8 A I E < -A 964 0A 6 -4,-3.3 2,-0.7 957,-0.2 957,-0.2 -0.908 60.0-149.9-121.6 132.4 26.1 28.1 22.5 8 9 A V E -A 963 0A 41 955,-3.3 955,-2.2 -2,-0.4 2,-0.3 -0.897 24.4-140.9 -96.3 114.7 29.8 28.5 23.2 9 10 A N E +A 962 0A 91 -2,-0.7 953,-0.2 953,-0.2 3,-0.1 -0.593 27.3 171.3 -78.1 130.1 31.7 25.6 21.6 10 11 A L + 0 0 61 951,-2.9 2,-0.3 -2,-0.3 952,-0.2 0.488 68.5 27.4-111.9 -8.7 34.6 24.3 23.7 11 12 A L 0 0 55 950,-1.1 -1,-0.3 805,-0.0 947,-0.0 -0.954 360.0 360.0-160.4 129.4 35.5 21.1 21.8 12 13 A K 0 0 103 -2,-0.3 -3,-0.0 -3,-0.1 949,-0.0 -0.590 360.0 360.0 -79.7 360.0 35.1 20.2 18.1 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 15 A E 0 0 115 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-143.7 34.7 15.0 15.9 15 16 A Q + 0 0 72 2,-0.0 -3,-0.0 942,-0.0 0, 0.0 -0.672 360.0 179.4-160.1 100.4 32.5 12.0 17.1 16 17 A V - 0 0 82 -2,-0.2 2,-0.1 2,-0.0 70,-0.1 -0.910 29.1-126.9-108.4 121.2 33.6 8.4 17.1 17 18 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 28,-0.0 -0.385 17.5-167.3 -79.9 147.9 31.0 5.8 18.5 18 19 A Q S S+ 0 0 76 1,-0.2 907,-0.0 -2,-0.1 68,-0.0 0.641 85.3 29.5-104.2 -19.9 31.8 3.4 21.2 19 20 A N S S+ 0 0 19 2,-0.1 25,-1.2 906,-0.0 26,-0.7 -0.392 79.3 162.0-140.5 57.1 28.8 1.0 21.0 20 21 A K E -k 45 0B 7 66,-0.5 68,-2.7 -3,-0.2 69,-1.2 -0.621 16.9-168.9 -89.8 134.2 27.7 1.1 17.4 21 22 A I E -kl 46 89B 0 24,-2.2 26,-1.8 -2,-0.3 2,-0.4 -0.969 5.6-156.8-118.0 138.6 25.5 -1.7 15.9 22 23 A T E -kl 47 90B 0 67,-2.3 69,-3.2 -2,-0.4 2,-0.5 -0.970 1.2-160.6-114.9 130.0 24.8 -2.1 12.1 23 24 A V E -kl 48 91B 0 24,-2.9 26,-1.9 -2,-0.4 2,-0.6 -0.958 6.8-157.0-104.1 124.4 21.8 -3.8 10.7 24 25 A V E +kl 49 92B 2 67,-3.0 69,-3.0 -2,-0.5 70,-0.5 -0.906 67.5 38.4 -99.6 118.0 22.2 -5.0 7.1 25 26 A G - 0 0 3 24,-3.3 25,-0.2 -2,-0.6 24,-0.1 0.342 57.7-154.1 109.8 120.0 18.8 -5.3 5.5 26 27 A V + 0 0 2 4,-0.1 24,-0.1 22,-0.1 -1,-0.1 -0.018 55.1 120.6-114.8 28.6 15.8 -3.1 6.1 27 28 A G S > S- 0 0 36 1,-0.1 4,-2.4 66,-0.0 5,-0.2 -0.121 90.5 -76.1 -65.8-175.5 13.1 -5.7 5.3 28 29 A A H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.840 134.9 49.6 -60.5 -36.2 10.6 -6.4 8.1 29 30 A V H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 111.0 47.4 -64.7 -47.5 13.1 -8.5 10.0 30 31 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 113.7 48.3 -66.2 -36.2 15.9 -5.9 9.8 31 32 A M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.809 109.6 52.0 -74.4 -29.9 13.5 -3.2 10.9 32 33 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.918 111.6 47.9 -68.1 -46.2 12.2 -5.3 13.8 33 34 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.966 112.6 49.8 -54.1 -53.6 15.7 -5.8 14.9 34 35 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.937 112.9 43.5 -51.9 -54.2 16.4 -2.1 14.6 35 36 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.912 114.9 50.3 -64.4 -42.3 13.4 -0.9 16.6 36 37 A S H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.903 112.0 48.0 -60.4 -43.1 14.0 -3.6 19.3 37 38 A I H ><>S+ 0 0 0 -4,-2.8 5,-1.4 -5,-0.2 3,-0.8 0.933 112.6 48.8 -64.6 -43.5 17.7 -2.6 19.6 38 39 A L H ><5S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 33,-0.5 0.883 111.0 50.3 -63.4 -38.0 16.8 1.1 19.8 39 40 A M H 3<5S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.620 107.9 52.3 -82.5 -9.3 14.2 0.4 22.5 40 41 A K T <<5S- 0 0 65 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.305 105.6-127.8-100.1 4.3 16.6 -1.7 24.6 41 42 A D T < 5 + 0 0 58 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.888 61.2 140.9 54.1 48.1 19.2 1.2 24.6 42 43 A L < + 0 0 11 -5,-1.4 2,-0.3 1,-0.1 -4,-0.1 0.642 55.3 46.2 -95.3 -16.5 22.0 -1.1 23.4 43 44 A A - 0 0 1 -6,-0.3 -23,-0.2 1,-0.1 3,-0.1 -0.943 50.8-157.8-134.1 146.0 23.7 1.3 20.9 44 45 A D S S+ 0 0 9 -25,-1.2 30,-0.3 -2,-0.3 2,-0.3 0.497 95.2 25.0 -93.5 -6.4 25.0 4.9 20.7 45 46 A E E -k 20 0B 21 -26,-0.7 -24,-2.2 28,-0.1 2,-0.4 -0.912 67.4-164.5-156.0 126.7 24.8 4.7 17.0 46 47 A L E -km 21 75B 0 28,-2.4 30,-2.6 -2,-0.3 2,-0.4 -0.955 7.9-167.5-114.3 138.7 22.7 2.6 14.7 47 48 A A E -km 22 76B 0 -26,-1.8 -24,-2.9 -2,-0.4 2,-0.4 -0.959 2.7-160.2-126.4 137.6 23.6 2.1 11.0 48 49 A L E -km 23 77B 0 28,-1.7 30,-1.8 -2,-0.4 2,-0.4 -0.946 6.7-173.0-120.7 141.1 21.3 0.6 8.3 49 50 A V E +k 24 0B 2 -26,-1.9 -24,-3.3 -2,-0.4 2,-0.3 -0.992 17.5 138.3-133.1 141.1 22.3 -0.8 5.0 50 51 A D - 0 0 33 28,-0.4 3,-0.0 -2,-0.4 -2,-0.0 -0.929 50.6-116.3-161.6 179.5 20.3 -2.0 2.0 51 52 A V S S+ 0 0 122 -2,-0.3 2,-0.8 1,-0.1 28,-0.1 0.569 92.5 80.6-102.4 -14.4 20.3 -1.8 -1.8 52 53 A I > - 0 0 95 1,-0.2 4,-2.1 2,-0.0 5,-0.1 -0.867 67.0-162.4 -96.2 108.4 17.0 -0.0 -2.4 53 54 A E H > S+ 0 0 66 -2,-0.8 4,-2.6 2,-0.2 5,-0.2 0.861 81.1 45.2 -64.9 -48.3 17.9 3.7 -1.7 54 55 A D H > S+ 0 0 96 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.958 114.2 49.1 -61.9 -51.1 14.4 5.3 -1.1 55 56 A K H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 113.7 47.9 -49.6 -52.1 13.3 2.5 1.2 56 57 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.877 113.4 45.5 -61.3 -46.7 16.5 2.8 3.2 57 58 A K H X S+ 0 0 111 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.891 113.2 50.9 -65.3 -41.9 16.3 6.5 3.5 58 59 A G H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.892 110.1 48.4 -65.7 -40.3 12.6 6.5 4.4 59 60 A E H X S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.947 112.4 50.0 -64.0 -45.9 13.1 3.9 7.2 60 61 A M H X S+ 0 0 27 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 112.0 46.2 -53.9 -52.8 16.1 5.9 8.5 61 62 A M H X S+ 0 0 29 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.849 108.9 55.6 -59.7 -41.3 14.1 9.1 8.6 62 63 A D H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.916 111.4 44.8 -59.6 -42.2 11.0 7.4 10.2 63 64 A L H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.906 110.4 54.8 -67.3 -42.3 13.3 6.2 13.1 64 65 A Q H >< S+ 0 0 27 -4,-2.3 3,-2.4 1,-0.3 4,-0.2 0.914 98.4 62.5 -61.4 -39.5 15.0 9.6 13.4 65 66 A H H 3< S+ 0 0 11 -4,-2.5 3,-0.5 1,-0.3 -1,-0.3 0.857 102.6 51.4 -57.5 -29.6 11.6 11.3 13.8 66 67 A G T X< S+ 0 0 0 -3,-0.9 3,-3.1 -4,-0.8 -1,-0.3 0.389 74.1 111.8 -84.8 5.3 11.2 9.2 17.0 67 68 A S G X + 0 0 12 -3,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.742 66.3 67.2 -52.6 -31.9 14.6 10.3 18.5 68 69 A L G 3 S+ 0 0 21 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.771 104.8 45.2 -55.9 -27.5 12.8 12.3 21.2 69 70 A F G < S+ 0 0 36 -3,-3.1 -1,-0.3 511,-0.0 -2,-0.2 0.312 110.1 64.2-103.8 8.5 11.6 9.0 22.6 70 71 A L < - 0 0 5 -3,-1.5 -31,-0.1 -4,-0.2 -32,-0.0 -0.631 67.3-139.9-125.8 175.6 14.9 7.1 22.3 71 72 A K S S+ 0 0 53 -33,-0.5 -3,-0.1 -2,-0.2 -4,-0.1 -0.198 72.8 101.1-132.9 36.9 18.4 7.2 23.8 72 73 A T - 0 0 2 -5,-0.2 -28,-0.2 1,-0.1 -27,-0.1 -0.956 54.2-166.1-122.8 103.2 20.4 6.5 20.6 73 74 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 -28,-0.1 0.432 66.9 46.7 -78.9 -2.4 21.7 9.8 19.4 74 75 A K + 0 0 97 -30,-0.3 -28,-2.4 2,-0.0 2,-0.4 -0.925 52.3 170.9-144.6 120.8 22.8 8.8 15.9 75 76 A I E +m 46 0B 6 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.993 18.5 172.4-123.1 125.6 20.9 6.8 13.3 76 77 A V E -m 47 0B 26 -30,-2.6 -28,-1.7 -2,-0.4 2,-0.3 -0.905 11.9-168.5-132.7 162.6 22.5 6.7 9.9 77 78 A S E +m 48 0B 26 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.991 14.6 146.8-150.3 149.6 21.9 4.9 6.6 78 79 A S - 0 0 39 -30,-1.8 -28,-0.4 -2,-0.3 -2,-0.0 -0.912 48.8-128.7-165.6 157.2 23.6 4.3 3.2 79 80 A K S S+ 0 0 79 -2,-0.3 2,-0.3 -30,-0.2 -1,-0.1 0.695 95.4 87.4 -72.1 -20.0 24.0 1.6 0.5 80 81 A D S > S- 0 0 81 1,-0.1 3,-1.5 -3,-0.1 4,-0.1 -0.658 78.1-142.6 -87.7 131.9 27.8 2.4 1.0 81 82 A Y G > S+ 0 0 17 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.563 88.6 85.6 -80.2 -6.6 29.4 0.3 3.8 82 83 A S G > S+ 0 0 58 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.758 81.0 67.0 -57.4 -25.5 31.6 3.2 5.0 83 84 A V G < S+ 0 0 22 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.713 95.7 56.1 -67.3 -19.1 28.5 4.0 7.1 84 85 A T G X S+ 0 0 0 -3,-2.0 3,-0.8 -4,-0.1 -1,-0.2 0.426 77.4 136.0 -92.8 -3.9 29.1 0.8 9.1 85 86 A A T < + 0 0 21 -3,-1.1 41,-0.2 1,-0.2 40,-0.1 -0.092 68.0 16.2 -55.6 145.4 32.7 1.6 10.1 86 87 A N T 3 S+ 0 0 98 39,-1.6 -66,-0.5 1,-0.2 2,-0.3 0.794 83.5 162.6 60.1 34.5 33.7 0.9 13.8 87 88 A S < - 0 0 7 -3,-0.8 -1,-0.2 1,-0.2 -66,-0.2 -0.649 31.8-162.0 -78.0 136.6 30.7 -1.3 14.4 88 89 A K S S+ 0 0 63 -68,-2.7 42,-2.2 -2,-0.3 2,-0.4 0.759 84.9 21.5 -77.4 -33.5 31.0 -3.6 17.5 89 90 A L E -ln 21 130B 0 -69,-1.2 -67,-2.3 40,-0.2 2,-0.5 -0.992 65.2-168.5-142.3 125.6 28.2 -5.8 16.1 90 91 A V E -ln 22 131B 0 40,-2.4 42,-2.6 -2,-0.4 2,-0.5 -0.984 10.8-159.3-119.5 117.5 26.9 -6.2 12.5 91 92 A I E -ln 23 132B 0 -69,-3.2 -67,-3.0 -2,-0.5 2,-0.6 -0.860 4.9-153.5 -98.1 127.5 23.7 -8.1 12.2 92 93 A I E +ln 24 133B 0 40,-2.7 42,-2.5 -2,-0.5 43,-1.5 -0.914 31.2 153.5-105.8 113.4 23.0 -9.5 8.6 93 94 A T + 0 0 22 -69,-3.0 -68,-0.2 -2,-0.6 -63,-0.2 0.345 36.7 119.8-116.4 3.9 19.3 -9.9 7.9 94 95 A A + 0 0 20 -70,-0.5 2,-0.2 41,-0.1 40,-0.1 -0.229 38.5 67.4 -71.0 157.4 19.6 -9.6 4.0 95 96 A G S S- 0 0 35 40,-0.1 16,-0.1 19,-0.1 2,-0.0 -0.477 82.3 -43.9 125.8 170.7 18.6 -12.3 1.5 96 97 A A - 0 0 31 11,-0.2 40,-0.3 -2,-0.2 2,-0.3 -0.359 52.2-145.5 -66.5 146.4 15.6 -14.2 -0.0 97 98 A R - 0 0 173 38,-0.1 2,-0.2 -2,-0.0 -1,-0.0 -0.799 24.7 -94.0-114.7 155.8 13.0 -15.4 2.4 98 99 A Q - 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