==== 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 09-MAR-07 2EHU . COMPND 2 MOLECULE: 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.INAGAKI,K.SAKAMOTO,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PR . 1034 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 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 . 4 0.4 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 . 67 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 2 1 0 2 0 2 2 2 4 2 2 3 2 3 2 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 7 6 8 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 0 4 0 0 2 0 0 2 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 2 0 0 0 0 2 2 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 61 0, 0.0 2,-0.5 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 120.8 42.6 15.2 101.1 2 2 A T + 0 0 146 3,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.952 360.0 155.3-123.3 118.2 45.2 17.3 99.2 3 3 A V - 0 0 62 -2,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.756 50.2 -74.6-126.4 169.7 44.1 19.0 95.9 4 4 A E - 0 0 128 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.328 64.5 -85.5 -60.8 148.9 45.4 22.0 94.0 5 5 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.261 60.0 -88.2 -49.6 142.7 44.6 25.5 95.5 6 6 A F + 0 0 30 -3,-0.1 2,-0.3 138,-0.1 134,-0.0 -0.287 51.3 176.1 -54.7 135.4 41.1 26.7 94.4 7 7 A R - 0 0 168 -3,-0.1 2,-0.1 670,-0.0 136,-0.1 -0.981 34.8-104.2-134.7 146.7 41.1 28.6 91.1 8 8 A N - 0 0 34 -2,-0.3 129,-0.1 1,-0.1 3,-0.0 -0.454 38.4-107.2 -67.6 140.8 38.0 30.0 89.3 9 9 A E - 0 0 23 127,-0.4 -1,-0.1 -2,-0.1 131,-0.1 -0.528 43.5-108.7 -64.5 125.3 36.8 28.0 86.2 10 10 A P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.354 27.0-125.7 -60.9 140.4 37.7 30.2 83.2 11 11 A I - 0 0 73 -3,-0.0 2,-0.2 125,-0.0 122,-0.1 -0.781 25.5-124.6 -87.9 123.8 34.6 31.8 81.5 12 12 A E - 0 0 49 -2,-0.5 120,-0.2 1,-0.1 121,-0.1 -0.506 25.5-176.7 -74.1 133.7 34.6 30.9 77.7 13 13 A T - 0 0 72 -2,-0.2 -1,-0.1 119,-0.1 116,-0.1 0.549 34.4-132.6-102.8 -14.2 34.4 33.9 75.4 14 14 A F + 0 0 3 114,-0.1 -2,-0.1 1,-0.1 6,-0.0 0.835 63.1 133.0 66.5 35.9 34.2 31.8 72.2 15 15 A Q + 0 0 142 4,-0.0 2,-0.2 5,-0.0 -1,-0.1 0.697 53.1 73.8 -88.4 -21.2 36.9 33.8 70.3 16 16 A T S > S- 0 0 65 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.626 83.7-126.5 -91.0 154.0 38.7 30.7 69.1 17 17 A E H > S+ 0 0 77 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.852 111.4 58.2 -66.1 -34.0 37.5 28.4 66.3 18 18 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 108.2 45.5 -62.2 -42.3 37.8 25.4 68.6 19 19 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 113.3 48.9 -67.6 -45.6 35.4 27.0 71.1 20 20 A R H X S+ 0 0 96 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.912 112.5 48.9 -57.4 -46.1 32.9 28.1 68.4 21 21 A R H X S+ 0 0 167 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 112.0 48.0 -62.1 -47.7 33.0 24.6 66.9 22 22 A A H X S+ 0 0 44 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.908 114.4 46.7 -58.8 -42.8 32.5 22.9 70.3 23 23 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.916 109.5 53.1 -68.8 -43.4 29.6 25.3 71.2 24 24 A R H X S+ 0 0 96 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 111.2 46.9 -56.0 -46.3 27.9 24.9 67.8 25 25 A E H X S+ 0 0 85 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.912 112.2 49.9 -63.8 -40.5 27.9 21.1 68.2 26 26 A A H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 47.4 -64.2 -44.2 26.6 21.4 71.8 27 27 A L H X S+ 0 0 10 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.915 111.1 51.9 -60.9 -46.5 23.8 23.7 70.7 28 28 A R H X S+ 0 0 140 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.935 111.6 46.4 -56.0 -46.5 22.9 21.3 67.8 29 29 A R H X S+ 0 0 163 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.890 113.3 48.0 -69.9 -37.1 22.7 18.3 70.1 30 30 A V H >< S+ 0 0 4 -4,-2.3 3,-0.8 2,-0.2 4,-0.3 0.945 113.1 48.4 -65.5 -44.9 20.6 20.1 72.7 31 31 A R H >< S+ 0 0 98 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.890 108.9 53.7 -60.3 -41.2 18.2 21.4 70.0 32 32 A E H 3< S+ 0 0 150 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.710 106.7 55.1 -65.5 -19.6 18.0 17.9 68.5 33 33 A E T X< S+ 0 0 51 -4,-0.8 3,-1.6 -3,-0.8 -1,-0.3 0.400 76.5 135.6 -96.2 0.6 17.0 16.7 72.0 34 34 A F T < + 0 0 36 -3,-1.5 32,-0.2 -4,-0.3 31,-0.2 -0.186 64.0 35.6 -50.3 137.4 14.0 19.1 72.4 35 35 A G T 3 S+ 0 0 47 30,-1.4 -1,-0.2 1,-0.3 31,-0.2 0.312 79.8 148.8 99.1 -5.7 11.0 17.4 73.8 36 36 A R E < -a 66 0A 89 -3,-1.6 31,-2.2 29,-0.6 2,-0.4 -0.259 40.3-135.6 -58.7 145.1 12.9 15.1 76.2 37 37 A H E -a 67 0A 65 29,-0.2 31,-0.2 31,-0.0 -1,-0.1 -0.920 15.8-166.2-108.4 132.9 11.1 14.1 79.4 38 38 A Y E -a 68 0A 5 29,-2.3 31,-1.9 -2,-0.4 179,-0.0 -0.972 10.6-147.4-120.3 122.1 12.9 14.1 82.8 39 39 A P - 0 0 31 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.105 31.0 -86.0 -72.8 177.1 11.4 12.4 85.9 40 40 A L E -C 47 0B 0 7,-2.6 7,-2.2 28,-0.1 2,-0.5 -0.315 36.9-134.0 -67.4 165.6 11.7 13.4 89.6 41 41 A Y E +CD 46 235B 7 194,-1.8 194,-2.9 5,-0.2 2,-0.4 -0.958 35.9 160.0-128.9 114.2 14.7 12.1 91.4 42 42 A I E > -C 45 0B 16 3,-2.4 3,-1.6 -2,-0.5 192,-0.1 -0.999 64.3 -7.6-137.4 129.8 13.9 10.7 94.8 43 43 A G T 3 S- 0 0 26 -2,-0.4 -1,-0.1 1,-0.3 191,-0.1 0.853 129.0 -51.4 52.9 41.7 15.9 8.3 97.0 44 44 A G T 3 S+ 0 0 17 189,-0.4 2,-0.3 185,-0.2 -1,-0.3 0.502 119.4 92.9 79.1 6.2 18.5 7.6 94.2 45 45 A E E < S-C 42 0B 125 -3,-1.6 -3,-2.4 2,-0.0 2,-0.4 -0.972 77.6-113.1-131.9 150.8 16.0 6.7 91.5 46 46 A W E -C 41 0B 81 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.668 36.9-168.4 -78.6 128.6 14.2 8.6 88.7 47 47 A V E -C 40 0B 46 -7,-2.2 -7,-2.6 -2,-0.4 22,-0.1 -0.975 5.0-151.5-127.5 118.2 10.5 8.6 89.5 48 48 A D - 0 0 91 -2,-0.5 2,-0.3 -9,-0.2 3,-0.1 -0.407 7.0-159.0 -89.2 164.9 7.8 9.7 87.0 49 49 A T - 0 0 29 2,-0.3 22,-0.1 1,-0.1 -1,-0.0 -0.884 27.9-120.8-131.8 165.7 4.4 11.3 87.6 50 50 A K S S+ 0 0 211 -2,-0.3 -1,-0.1 20,-0.1 2,-0.1 0.928 98.2 61.9 -70.9 -49.3 1.1 11.6 85.6 51 51 A E S S- 0 0 124 19,-0.2 19,-0.8 -3,-0.1 2,-0.3 -0.343 75.8-159.2 -74.2 160.0 1.2 15.5 85.7 52 52 A R E -B 69 0A 155 17,-0.2 2,-0.4 -4,-0.1 17,-0.2 -0.931 19.9-130.4-140.0 162.4 4.1 17.4 84.1 53 53 A M E -B 68 0A 17 15,-2.8 15,-2.3 -2,-0.3 2,-0.4 -0.953 26.5-147.8-108.7 133.9 6.0 20.6 84.0 54 54 A V E -B 67 0A 67 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.890 6.3-160.0-107.5 133.3 6.5 22.1 80.5 55 55 A S E -B 66 0A 2 11,-2.6 10,-1.9 -2,-0.4 11,-1.4 -0.952 11.8-161.4-117.6 115.9 9.6 24.2 79.7 56 56 A L E -B 64 0A 71 -2,-0.5 8,-0.2 8,-0.2 6,-0.1 -0.525 25.3-112.8 -94.1 157.4 9.4 26.5 76.7 57 57 A N E > -B 60 0A 6 6,-2.3 3,-1.7 3,-0.5 6,-0.3 -0.825 22.5-155.5 -83.1 111.4 12.1 28.2 74.6 58 58 A P T 3 S+ 0 0 0 0, 0.0 339,-2.2 0, 0.0 305,-0.1 0.701 94.2 58.0 -65.2 -17.0 11.7 32.0 75.4 59 59 A S T 3 S+ 0 0 12 63,-0.4 337,-0.7 1,-0.3 336,-0.1 0.655 132.3 7.5 -79.3 -17.3 13.4 32.8 72.0 60 60 A A E X S- B 0 57A 17 -3,-1.7 3,-2.7 335,-0.2 -3,-0.5 -0.547 74.6-172.1-164.1 74.6 10.6 30.8 70.2 61 61 A P E 3 S+ 0 0 18 0, 0.0 305,-0.0 0, 0.0 335,-0.0 0.526 78.6 73.3 -70.4 -2.2 8.0 29.8 72.8 62 62 A S E 3 S+ 0 0 84 -5,-0.1 2,-0.5 -6,-0.1 334,-0.0 0.643 87.0 86.0 -70.4 -15.8 6.0 27.5 70.4 63 63 A E E < S- 0 0 58 -3,-2.7 -6,-2.3 -6,-0.3 2,-0.7 -0.765 74.1-146.1 -92.1 127.2 9.1 25.2 71.0 64 64 A V E - B 0 56A 54 -2,-0.5 -29,-0.3 -8,-0.2 -8,-0.2 -0.804 9.7-170.4 -93.1 112.3 9.1 22.9 73.9 65 65 A V E - 0 0 5 -10,-1.9 -30,-1.4 -2,-0.7 -29,-0.6 0.919 65.1 -52.7 -65.8 -42.3 12.7 22.4 75.3 66 66 A G E -aB 36 55A 0 -11,-1.4 -11,-2.6 -32,-0.2 2,-0.3 -0.976 47.2-120.9-178.0 173.6 11.5 19.6 77.5 67 67 A T E -aB 37 54A 9 -31,-2.2 -29,-2.3 -2,-0.3 2,-0.3 -0.928 19.2-163.1-127.5 156.4 9.1 18.4 80.1 68 68 A T E -aB 38 53A 0 -15,-2.3 -15,-2.8 -2,-0.3 -28,-0.1 -0.908 30.8 -94.4-126.2 166.1 9.6 17.1 83.6 69 69 A A E - B 0 52A 0 -31,-1.9 2,-0.5 -2,-0.3 -17,-0.2 -0.233 42.4-123.9 -61.3 168.7 7.5 15.2 86.1 70 70 A K - 0 0 42 -19,-0.8 2,-0.4 -18,-0.1 168,-0.2 -0.976 14.6-142.8-129.6 119.9 5.6 17.3 88.7 71 71 A A + 0 0 3 166,-2.8 168,-0.4 -2,-0.5 172,-0.3 -0.659 24.4 169.4 -86.3 129.6 6.0 16.9 92.4 72 72 A G > - 0 0 29 -2,-0.4 4,-2.2 166,-0.1 5,-0.2 -0.419 57.1 -64.7-114.0-161.5 2.9 17.4 94.7 73 73 A K H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 131.0 53.1 -58.8 -40.0 2.5 16.6 98.4 74 74 A A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 45.5 -65.3 -41.7 2.9 12.8 98.0 75 75 A E H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 111.0 53.5 -68.6 -36.9 6.2 13.2 96.2 76 76 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.4 48.0 -60.7 -44.4 7.3 15.8 98.8 77 77 A E H X S+ 0 0 55 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 110.9 49.8 -63.2 -42.6 6.5 13.3 101.5 78 78 A A H X S+ 0 0 47 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.889 112.1 48.9 -62.1 -40.6 8.5 10.5 99.7 79 79 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.890 109.2 52.4 -66.7 -41.4 11.4 12.9 99.3 80 80 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.927 110.3 47.8 -59.2 -46.9 11.3 13.8 103.0 81 81 A E H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 114.5 46.6 -60.4 -43.3 11.4 10.2 104.0 82 82 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 113.6 48.3 -65.5 -43.5 14.3 9.5 101.7 83 83 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.884 113.2 45.6 -68.7 -40.5 16.3 12.6 102.8 84 84 A W H X S+ 0 0 47 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.900 113.0 50.3 -70.2 -38.3 15.9 11.9 106.5 85 85 A K H X S+ 0 0 160 -4,-2.0 4,-0.5 -5,-0.3 3,-0.3 0.924 113.3 46.6 -61.9 -42.5 16.8 8.2 106.1 86 86 A A H >X S+ 0 0 7 -4,-2.3 4,-3.1 1,-0.2 3,-1.2 0.880 103.9 62.4 -68.9 -36.4 19.9 9.2 104.1 87 87 A F H 3X S+ 0 0 27 -4,-2.1 4,-2.2 1,-0.3 5,-0.2 0.878 90.8 67.8 -57.2 -39.9 20.8 11.9 106.7 88 88 A K H 3< S+ 0 0 139 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.798 118.7 20.0 -51.2 -36.4 21.3 9.2 109.4 89 89 A T H X< S+ 0 0 89 -3,-1.2 3,-1.1 -4,-0.5 4,-0.4 0.744 117.8 62.2-104.5 -34.8 24.3 7.8 107.5 90 90 A W H >< S+ 0 0 1 -4,-3.1 3,-1.2 1,-0.3 -3,-0.2 0.873 98.5 59.5 -60.2 -36.8 25.4 10.7 105.3 91 91 A K T 3< S+ 0 0 48 -4,-2.2 -1,-0.3 -5,-0.3 -3,-0.1 0.737 103.4 54.0 -62.7 -22.5 26.1 12.8 108.4 92 92 A D T < S+ 0 0 101 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.486 79.1 112.8 -94.6 -8.0 28.6 10.1 109.5 93 93 A W S < S- 0 0 80 -3,-1.2 5,-0.0 -4,-0.4 -3,-0.0 -0.440 81.8-103.4 -57.6 137.3 30.7 10.1 106.3 94 94 A P >> - 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