==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUN-11 3SFM . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.J.YACHNIN,A.M.BERGHUIS . 58 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 37.9 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 1.7 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 . 2 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.9 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 21 A D 0 0 210 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 9.9 -6.6 23.9 2 22 A A - 0 0 57 1,-0.1 31,-0.0 2,-0.0 3,-0.0 -0.282 360.0-151.5 -69.1 132.5 9.6 -4.1 21.0 3 23 A T S S+ 0 0 78 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.870 81.6 29.5 -66.0 -41.2 12.6 -3.4 18.8 4 24 A F - 0 0 17 4,-0.0 2,-0.3 52,-0.0 -1,-0.1 -0.883 68.2-153.0-119.8 158.0 11.5 0.2 18.0 5 25 A G > - 0 0 36 -2,-0.3 3,-2.2 1,-0.1 17,-0.3 -0.802 42.4 -67.6-119.6 166.9 9.5 2.8 19.7 6 26 A M T 3 S+ 0 0 135 -2,-0.3 17,-0.2 1,-0.3 3,-0.1 -0.272 119.7 19.2 -51.2 132.6 7.3 5.7 18.5 7 27 A G T 3 S+ 0 0 35 15,-2.8 -1,-0.3 1,-0.3 16,-0.1 0.246 83.9 142.6 88.6 -11.5 9.3 8.3 16.9 8 28 A D < - 0 0 45 -3,-2.2 14,-2.5 13,-0.1 2,-0.5 -0.380 52.7-124.8 -58.1 143.7 12.4 6.2 16.1 9 29 A R E +A 21 0A 80 48,-0.4 48,-2.6 49,-0.2 2,-0.3 -0.780 43.5 165.9 -91.9 123.6 14.0 7.1 12.8 10 30 A V E -AB 20 56A 0 10,-2.9 10,-2.4 -2,-0.5 2,-0.3 -0.891 21.3-161.2-135.0 162.2 14.3 4.0 10.7 11 31 A R E -AB 19 55A 83 44,-2.5 44,-2.3 -2,-0.3 2,-0.2 -0.979 33.9 -96.3-139.0 157.7 14.9 2.9 7.1 12 32 A K E - B 0 54A 25 6,-2.3 42,-0.2 -2,-0.3 6,-0.2 -0.544 30.2-144.4 -66.4 136.1 14.3 -0.1 4.9 13 33 A K S S- 0 0 100 40,-2.5 2,-0.3 -2,-0.2 -1,-0.1 0.785 71.0 -4.3 -71.8 -33.2 17.5 -2.2 4.8 14 34 A S S S+ 0 0 89 39,-0.4 -1,-0.1 2,-0.2 2,-0.1 -0.955 106.3 20.8-155.1 170.8 17.2 -3.4 1.3 15 35 A G S S+ 0 0 76 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.348 110.3 26.7 65.1-139.9 15.0 -3.4 -1.9 16 36 A A S S- 0 0 73 1,-0.1 -2,-0.2 -2,-0.1 2,-0.2 -0.296 89.9-123.8 -59.1 135.4 12.4 -0.6 -2.1 17 37 A A + 0 0 89 -4,-0.1 2,-0.3 -6,-0.1 -1,-0.1 -0.468 37.9 159.7 -83.8 152.7 13.6 2.3 -0.0 18 38 A W + 0 0 39 -6,-0.2 -6,-2.3 -2,-0.2 2,-0.3 -0.917 7.2 175.4-163.6 141.3 11.7 4.0 2.8 19 39 A Q E +A 11 0A 64 -2,-0.3 21,-2.4 -8,-0.2 22,-0.5 -0.965 29.0 81.5-152.0 137.9 12.9 6.3 5.6 20 40 A G E -AC 10 39A 0 -10,-2.4 -10,-2.9 -2,-0.3 2,-0.4 -0.978 69.1 -30.8 163.1-153.3 11.1 8.2 8.4 21 41 A Q E -AC 9 38A 108 17,-1.7 17,-2.8 -2,-0.3 2,-0.3 -0.754 50.3-112.4-103.7 143.5 9.6 7.8 11.8 22 42 A I E + C 0 37A 4 -14,-2.5 -15,-2.8 -2,-0.4 15,-0.3 -0.529 39.7 166.3 -64.7 127.1 7.9 4.9 13.5 23 43 A V E - 0 0 52 13,-2.7 2,-0.3 -2,-0.3 14,-0.2 0.273 57.7 -16.3-128.0 4.6 4.2 6.0 13.9 24 44 A G E - C 0 36A 20 12,-1.1 12,-1.6 -19,-0.1 2,-0.3 -0.988 56.4-123.1 175.3-170.1 2.6 2.6 14.8 25 45 A W E - C 0 35A 159 10,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.966 12.2-169.2-153.4 157.4 2.7 -1.1 15.0 26 46 A Y E - C 0 34A 52 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.981 6.5-155.9-152.8 163.3 0.9 -4.2 13.8 27 47 A C + 0 0 75 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.960 21.2 152.5-148.2 118.9 0.9 -8.0 14.5 28 48 A T - 0 0 67 3,-2.2 -2,-0.0 -2,-0.4 5,-0.0 -0.845 56.6-100.4-132.6 172.8 -0.2 -10.8 12.3 29 49 A N S S+ 0 0 172 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.885 125.9 44.2 -62.1 -35.6 0.8 -14.4 12.0 30 50 A L S S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.842 130.1 25.7 -74.4 -33.2 2.9 -13.6 8.9 31 51 A T + 0 0 14 1,-0.1 -3,-2.2 19,-0.0 -1,-0.3 -0.748 67.5 173.6-130.1 80.9 4.4 -10.5 10.6 32 52 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.724 81.1 33.2 -68.5 -18.6 4.3 -10.9 14.4 33 53 A E S S+ 0 0 53 -6,-0.1 18,-2.7 2,-0.0 2,-0.3 -0.867 81.2 156.3-136.3 100.7 6.2 -7.7 14.9 34 54 A G E -CD 26 50A 0 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.4 -0.887 22.6-151.3-123.2 158.5 5.5 -5.0 12.2 35 55 A Y E -CD 25 49A 4 14,-2.8 14,-2.3 -2,-0.3 2,-0.4 -0.962 12.8-136.2-131.4 148.6 5.8 -1.3 12.2 36 56 A A E -CD 24 48A 13 -12,-1.6 -13,-2.7 -2,-0.4 -12,-1.1 -0.878 25.7-166.7 -96.0 132.5 4.1 1.7 10.5 37 57 A V E -CD 22 47A 0 10,-2.9 10,-2.1 -2,-0.4 2,-0.5 -0.990 11.9-148.0-128.4 121.2 6.7 4.2 9.2 38 58 A E E -CD 21 46A 68 -17,-2.8 -17,-1.7 -2,-0.5 8,-0.2 -0.781 30.9-114.1 -86.3 126.1 5.7 7.8 8.1 39 59 A S E -C 20 0A 9 6,-2.7 -19,-0.3 -2,-0.5 6,-0.2 -0.388 13.2-152.4 -59.4 138.5 8.1 9.0 5.3 40 60 A E S S+ 0 0 85 -21,-2.4 -1,-0.2 1,-0.2 -20,-0.2 0.638 99.5 46.4 -82.3 -15.4 10.3 11.9 6.3 41 61 A A S S+ 0 0 73 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.736 119.5 37.8 -90.9 -29.5 10.3 13.0 2.6 42 62 A H S > S- 0 0 119 3,-0.2 3,-2.2 0, 0.0 -3,-0.4 -0.745 86.2-147.1-127.0 78.7 6.5 12.6 2.0 43 63 A P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.160 81.3 21.7 -53.2 139.1 4.6 13.8 5.1 44 64 A G T 3 S+ 0 0 56 1,-0.3 2,-0.5 -5,-0.2 -4,-0.1 0.146 93.6 114.3 92.1 -22.1 1.4 11.9 5.7 45 65 A S < - 0 0 62 -3,-2.2 -6,-2.7 -6,-0.2 2,-0.4 -0.754 44.8-175.2 -91.3 130.4 2.4 8.8 3.7 46 66 A V E -D 38 0A 72 -2,-0.5 2,-0.3 -8,-0.2 -8,-0.2 -0.960 10.0-173.5-125.0 136.2 2.8 5.7 5.8 47 67 A Q E -D 37 0A 92 -10,-2.1 -10,-2.9 -2,-0.4 2,-0.4 -0.928 16.6-137.3-127.4 155.7 4.0 2.2 4.8 48 68 A I E +D 36 0A 97 -2,-0.3 -12,-0.2 -12,-0.2 -23,-0.0 -0.923 26.2 168.0-116.1 137.2 4.0 -0.9 7.0 49 69 A Y E -D 35 0A 28 -14,-2.3 -14,-2.8 -2,-0.4 -23,-0.1 -0.994 38.2 -99.0-144.7 155.0 6.9 -3.4 7.2 50 70 A P E > -D 34 0A 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.383 41.0-113.1 -66.4 153.3 8.1 -6.4 9.3 51 71 A V G > S+ 0 0 32 -18,-2.7 3,-1.9 1,-0.3 -17,-0.1 0.838 114.8 63.7 -56.4 -36.8 10.7 -5.6 11.8 52 72 A A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -19,-0.3 -39,-0.1 0.711 98.4 56.5 -64.6 -19.8 13.3 -7.6 9.9 53 73 A A G < S+ 0 0 29 -3,-1.9 -40,-2.5 -41,-0.1 -39,-0.4 0.533 102.7 68.7 -83.8 -8.6 13.0 -5.3 6.9 54 74 A L E < -B 12 0A 5 -3,-1.9 2,-0.3 -4,-0.3 -42,-0.2 -0.833 54.2-170.5-119.3 151.4 13.9 -2.1 9.0 55 75 A E E -B 11 0A 72 -44,-2.3 -44,-2.5 -2,-0.3 2,-0.3 -0.995 27.0-118.1-138.6 145.0 16.9 -0.7 10.8 56 76 A R E -B 10 0A 161 -2,-0.3 -46,-0.3 -46,-0.2 2,-0.2 -0.576 31.0-169.6 -78.3 141.1 17.2 2.3 13.1 57 77 A I 0 0 38 -48,-2.6 -48,-0.4 1,-0.3 -1,-0.0 -0.732 360.0 360.0-125.5 173.5 19.4 5.2 12.0 58 78 A N 0 0 135 -2,-0.2 -1,-0.3 -50,-0.1 -49,-0.2 0.556 360.0 360.0 -6.6 360.0 20.6 8.2 13.9