==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-FEB-05 2BJK . COMPND 2 MOLECULE: 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.INAGAKI,T.H.TAHIROV . 1032 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 752 72.9 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 . 75 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 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 0 2 1 1 0 2 2 2 4 2 2 4 2 2 2 0 0 0 1 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 0 212 0, 0.0 146,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 5.8 45.4 20.0 101.3 2 2 A T + 0 0 109 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.396 360.0 49.5-104.5 1.2 45.1 17.0 99.0 3 3 A V S S- 0 0 62 1,-0.1 3,-0.1 144,-0.0 0, 0.0 -0.858 98.4 -79.5-132.2 166.7 44.1 18.9 95.9 4 4 A E - 0 0 139 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.253 62.3 -85.7 -63.0 154.0 45.3 21.9 94.0 5 5 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.292 59.0 -87.0 -60.5 148.3 44.4 25.3 95.4 6 6 A F + 0 0 29 -3,-0.1 2,-0.3 138,-0.1 134,-0.0 -0.286 50.7 175.9 -58.6 138.2 41.0 26.6 94.3 7 7 A R - 0 0 184 -3,-0.1 2,-0.1 670,-0.0 136,-0.1 -0.983 34.4-104.5-140.9 144.4 41.0 28.5 91.0 8 8 A N - 0 0 36 -2,-0.3 129,-0.1 1,-0.1 3,-0.0 -0.458 37.5-107.8 -72.6 144.4 37.9 29.9 89.2 9 9 A E - 0 0 25 127,-0.4 -1,-0.1 -2,-0.1 131,-0.1 -0.542 42.7-108.7 -70.0 127.5 36.7 28.0 86.1 10 10 A P - 0 0 97 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.309 25.8-127.1 -60.7 140.6 37.6 30.1 83.0 11 11 A I - 0 0 74 -3,-0.0 2,-0.2 125,-0.0 122,-0.1 -0.810 26.3-124.0 -91.3 121.4 34.6 31.7 81.3 12 12 A E - 0 0 51 -2,-0.6 120,-0.2 1,-0.1 121,-0.1 -0.449 25.0-175.3 -69.6 132.9 34.5 30.9 77.6 13 13 A T - 0 0 72 -2,-0.2 -1,-0.1 119,-0.1 116,-0.1 0.572 32.1-135.4-101.2 -15.4 34.5 33.8 75.2 14 14 A F + 0 0 3 114,-0.1 -2,-0.1 1,-0.1 115,-0.0 0.869 61.9 132.4 61.0 41.5 34.2 31.7 72.0 15 15 A Q + 0 0 138 4,-0.0 2,-0.2 5,-0.0 -1,-0.1 0.630 53.2 74.2 -94.3 -17.1 36.8 33.7 70.1 16 16 A T S > S- 0 0 63 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.649 84.4-124.9 -95.9 155.0 38.7 30.7 68.9 17 17 A E H > S+ 0 0 103 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.868 111.2 56.8 -64.8 -36.3 37.5 28.3 66.2 18 18 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 108.3 46.3 -61.1 -45.1 37.8 25.4 68.5 19 19 A A H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 114.0 47.9 -64.7 -43.7 35.5 26.9 71.0 20 20 A R H X S+ 0 0 103 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.914 111.1 50.9 -63.9 -43.7 32.9 27.9 68.4 21 21 A R H X S+ 0 0 142 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.935 112.0 47.3 -59.0 -47.9 33.0 24.5 66.8 22 22 A A H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.892 114.1 46.7 -62.0 -41.7 32.4 22.8 70.2 23 23 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.898 109.7 53.0 -69.4 -40.9 29.6 25.2 71.1 24 24 A R H X S+ 0 0 81 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.916 111.2 47.0 -60.9 -41.3 27.9 24.8 67.7 25 25 A E H X S+ 0 0 73 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.907 112.4 49.9 -67.2 -39.8 27.9 21.0 68.1 26 26 A A H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.922 111.6 47.9 -63.7 -44.6 26.5 21.3 71.7 27 27 A L H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.916 111.4 51.3 -62.8 -42.7 23.7 23.6 70.6 28 28 A R H X S+ 0 0 138 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.926 111.1 47.2 -62.2 -43.9 22.8 21.3 67.7 29 29 A R H X S+ 0 0 167 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.898 112.9 48.0 -66.4 -40.0 22.6 18.3 70.0 30 30 A V H >< S+ 0 0 4 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.930 112.9 48.9 -65.7 -42.7 20.5 20.0 72.6 31 31 A R H >< S+ 0 0 93 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.898 108.3 52.9 -62.6 -40.6 18.2 21.4 69.9 32 32 A E H 3< S+ 0 0 153 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.645 106.2 57.5 -69.1 -12.5 17.9 17.9 68.4 33 33 A E T X< S+ 0 0 50 -3,-0.9 3,-1.6 -4,-0.6 -1,-0.3 0.389 75.8 135.8 -97.5 -1.1 16.9 16.8 71.9 34 34 A F T < + 0 0 36 -3,-1.6 32,-0.2 1,-0.2 31,-0.2 -0.178 63.4 34.1 -50.2 136.7 14.0 19.1 72.2 35 35 A G T 3 S+ 0 0 48 30,-1.3 -1,-0.2 29,-0.3 31,-0.2 0.311 79.0 147.6 100.0 -9.2 10.9 17.4 73.7 36 36 A R E < -a 66 0A 89 -3,-1.6 31,-2.2 29,-0.6 2,-0.5 -0.242 41.5-133.7 -60.0 147.7 12.8 15.0 76.1 37 37 A H E -a 67 0A 66 29,-0.2 31,-0.2 31,-0.0 -1,-0.1 -0.911 15.8-164.0-109.6 132.1 11.0 14.2 79.3 38 38 A Y E -a 68 0A 5 29,-2.6 31,-1.9 -2,-0.5 179,-0.0 -0.958 9.7-149.0-117.8 122.6 12.8 14.2 82.7 39 39 A P - 0 0 31 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.100 30.5 -87.0 -77.7-179.0 11.3 12.5 85.8 40 40 A L E -C 47 0B 0 7,-2.9 7,-2.3 196,-0.1 2,-0.5 -0.374 36.5-133.7 -78.2 167.0 11.6 13.5 89.4 41 41 A Y E +CD 46 235B 6 194,-1.9 194,-2.7 5,-0.3 2,-0.4 -0.949 36.1 160.1-128.9 109.6 14.7 12.1 91.3 42 42 A I E > -C 45 0B 15 3,-2.5 3,-1.4 -2,-0.5 192,-0.1 -0.997 63.4 -7.5-134.3 131.3 13.8 10.7 94.7 43 43 A G T 3 S- 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 191,-0.1 0.861 129.2 -50.1 55.0 40.7 15.8 8.3 96.8 44 44 A G T 3 S+ 0 0 19 189,-0.4 2,-0.3 185,-0.2 -1,-0.3 0.545 120.6 89.8 79.2 7.0 18.4 7.5 94.1 45 45 A E E < S-C 42 0B 123 -3,-1.4 -3,-2.5 2,-0.0 2,-0.5 -0.979 78.0-111.7-139.3 151.6 15.9 6.8 91.3 46 46 A W E -C 41 0B 84 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.683 36.3-169.8 -80.5 125.9 14.1 8.6 88.6 47 47 A V E -C 40 0B 45 -7,-2.3 -7,-2.9 -2,-0.5 2,-0.1 -0.978 5.7-152.4-122.9 123.5 10.3 8.7 89.4 48 48 A D - 0 0 91 -2,-0.5 2,-0.3 -9,-0.2 3,-0.1 -0.437 7.1-158.2 -91.5 166.1 7.7 9.8 86.9 49 49 A T - 0 0 27 2,-0.3 22,-0.1 -2,-0.1 -1,-0.0 -0.873 28.0-117.4-136.3 168.5 4.3 11.3 87.5 50 50 A K S S+ 0 0 208 -2,-0.3 -1,-0.1 20,-0.1 2,-0.1 0.945 98.9 58.3 -73.0 -50.0 1.0 11.7 85.6 51 51 A E S S- 0 0 124 19,-0.2 19,-0.9 -3,-0.1 2,-0.3 -0.322 75.8-160.3 -76.4 163.1 1.1 15.5 85.6 52 52 A R E -B 69 0A 156 17,-0.2 2,-0.4 -4,-0.1 17,-0.2 -0.934 20.1-127.1-144.7 166.4 4.0 17.4 84.0 53 53 A M E -B 68 0A 18 15,-2.9 15,-2.2 -2,-0.3 2,-0.4 -0.944 26.4-147.6-113.1 134.3 5.9 20.7 83.8 54 54 A V E -B 67 0A 70 -2,-0.4 2,-0.6 13,-0.2 13,-0.2 -0.894 5.9-160.1-108.3 133.4 6.5 22.2 80.4 55 55 A S E -B 66 0A 3 11,-2.5 10,-1.9 -2,-0.4 11,-1.3 -0.948 12.1-161.8-116.5 116.0 9.5 24.3 79.5 56 56 A L E -B 64 0A 73 -2,-0.6 8,-0.2 8,-0.2 6,-0.1 -0.574 25.9-110.8 -96.0 157.1 9.3 26.6 76.5 57 57 A N E > -B 60 0A 6 6,-2.3 3,-1.8 3,-0.5 6,-0.3 -0.761 23.0-154.3 -84.5 111.2 12.0 28.2 74.5 58 58 A P T 3 S+ 0 0 0 0, 0.0 339,-2.1 0, 0.0 -1,-0.1 0.698 94.8 57.1 -62.2 -16.9 11.7 32.0 75.3 59 59 A S T 3 S+ 0 0 11 63,-0.3 337,-0.5 1,-0.3 336,-0.1 0.593 132.1 8.2 -85.8 -13.5 13.3 32.8 71.9 60 60 A A E X S- B 0 57A 19 -3,-1.8 3,-2.6 335,-0.2 -3,-0.5 -0.444 73.5-170.5-166.3 76.8 10.5 30.8 70.1 61 61 A P E 3 S+ 0 0 19 0, 0.0 305,-0.0 0, 0.0 335,-0.0 0.499 79.2 73.7 -55.5 -8.7 7.8 29.8 72.7 62 62 A S E 3 S+ 0 0 85 -5,-0.1 2,-0.5 -6,-0.1 334,-0.0 0.638 86.6 83.4 -78.7 -12.5 6.0 27.5 70.3 63 63 A E E < S- 0 0 55 -3,-2.6 -6,-2.3 -6,-0.3 2,-0.7 -0.792 74.1-145.7 -96.6 129.3 9.0 25.2 70.8 64 64 A V E - B 0 56A 55 -2,-0.5 -29,-0.3 -8,-0.2 -8,-0.2 -0.828 8.7-169.1 -95.1 112.3 9.1 22.9 73.8 65 65 A V E - 0 0 5 -10,-1.9 -30,-1.3 -2,-0.7 -29,-0.6 0.910 65.3 -53.2 -66.0 -40.8 12.6 22.5 75.1 66 66 A G E -aB 36 55A 0 -11,-1.3 -11,-2.5 -32,-0.2 2,-0.3 -0.974 47.9-122.7 179.0 175.9 11.5 19.6 77.3 67 67 A T E -aB 37 54A 10 -31,-2.2 -29,-2.6 -2,-0.3 2,-0.3 -0.925 18.2-163.3-135.1 159.3 9.1 18.5 80.0 68 68 A T E -aB 38 53A 0 -15,-2.2 -15,-2.9 -2,-0.3 -28,-0.1 -0.904 31.5 -90.8-137.5 167.3 9.5 17.1 83.5 69 69 A A E - B 0 52A 0 -31,-1.9 2,-0.5 -2,-0.3 -17,-0.2 -0.229 42.4-123.8 -68.8 169.5 7.4 15.3 86.0 70 70 A K - 0 0 45 -19,-0.9 2,-0.4 -18,-0.1 -19,-0.2 -0.971 15.8-140.7-126.4 119.2 5.5 17.4 88.5 71 71 A A + 0 0 3 166,-2.9 168,-0.3 -2,-0.5 172,-0.3 -0.614 24.0 174.3 -83.0 130.6 5.9 17.0 92.3 72 72 A G > - 0 0 28 -2,-0.4 4,-2.1 166,-0.1 5,-0.2 -0.414 54.0 -71.3-115.3-166.5 2.9 17.2 94.5 73 73 A K H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 130.7 53.9 -58.8 -41.0 2.4 16.6 98.2 74 74 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 110.7 45.8 -60.8 -43.1 2.8 12.8 97.9 75 75 A E H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 110.5 54.1 -68.3 -35.2 6.1 13.2 96.1 76 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 109.0 48.9 -64.0 -42.4 7.3 15.8 98.7 77 77 A E H X S+ 0 0 64 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 110.5 50.1 -63.9 -41.6 6.5 13.3 101.4 78 78 A A H X S+ 0 0 48 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.894 111.3 49.3 -63.7 -39.2 8.4 10.5 99.6 79 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.890 109.7 51.6 -67.2 -39.7 11.4 12.9 99.2 80 80 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.916 109.9 49.2 -62.5 -44.1 11.3 13.8 102.9 81 81 A E H X S+ 0 0 111 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.937 114.7 44.8 -60.3 -46.9 11.3 10.2 103.9 82 82 A A H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.899 113.0 50.6 -65.0 -41.9 14.2 9.5 101.6 83 83 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.886 113.0 44.3 -66.1 -41.0 16.2 12.6 102.7 84 84 A W H X S+ 0 0 42 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.880 113.2 51.0 -72.8 -36.3 15.8 11.9 106.4 85 85 A K H X S+ 0 0 142 -4,-2.1 4,-0.6 -5,-0.3 3,-0.3 0.936 113.2 46.2 -64.2 -43.5 16.7 8.2 106.0 86 86 A A H >X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 3,-1.2 0.894 104.5 62.0 -65.0 -40.0 19.8 9.2 104.0 87 87 A F H 3X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.3 5,-0.2 0.865 90.2 69.6 -53.9 -39.7 20.8 11.8 106.5 88 88 A K H 3< S+ 0 0 141 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.831 117.8 19.1 -49.1 -39.4 21.1 9.1 109.2 89 89 A T H X< S+ 0 0 90 -3,-1.2 3,-1.3 -4,-0.6 4,-0.3 0.778 117.9 63.0-103.1 -34.5 24.2 7.8 107.5 90 90 A W H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.3 -3,-0.2 0.865 97.7 59.9 -60.0 -35.8 25.3 10.7 105.2 91 91 A K T 3< S+ 0 0 46 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.755 103.7 53.0 -64.2 -22.6 26.0 12.8 108.3 92 92 A D T < S+ 0 0 96 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.437 79.4 114.3 -94.0 -1.0 28.5 10.2 109.5 93 93 A W S < S- 0 0 79 -3,-1.4 2,-0.0 -4,-0.3 -3,-0.0 -0.427 80.5-103.2 -66.3 143.0 30.6 10.1 106.3 94 94 A P >> - 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