==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-11 3QAN . COMPND 2 MOLECULE: 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.FOTI,R.D.SEIDEL,S.C.ALMO,NEW YORK STRU . 1547 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1133 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 7.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 127 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 504 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 0 3 0 2 1 3 2 9 6 2 2 1 5 3 0 0 0 0 0 0 2 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 9 10 13 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 . 12 6 6 0 3 0 0 0 3 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 . 6 4 0 0 0 1 3 0 2 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 0 A V 0 0 201 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.2 -40.6 -32.2 -26.2 2 1 A M - 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.872 360.0 -99.9-161.4 150.1 -39.2 -29.2 -27.9 3 2 A L - 0 0 61 -2,-0.3 3,-0.1 144,-0.1 0, 0.0 -0.636 38.4-113.1 -80.5 143.2 -38.2 -26.1 -25.9 4 3 A Q - 0 0 157 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.412 52.7 -77.1 -62.3 146.1 -40.8 -23.2 -26.0 5 4 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.084 54.3-100.2 -48.9 142.5 -39.5 -20.1 -27.9 6 5 A Y + 0 0 28 -3,-0.1 2,-0.3 138,-0.1 134,-0.0 -0.422 47.6 166.2 -62.8 137.4 -37.0 -17.9 -26.1 7 6 A K - 0 0 150 -2,-0.1 136,-0.1 668,-0.0 474,-0.0 -0.971 41.1 -92.2-147.2 152.5 -38.2 -14.7 -24.5 8 7 A H - 0 0 34 -2,-0.3 129,-0.1 1,-0.1 3,-0.1 -0.342 40.5-106.8 -72.6 145.2 -36.5 -12.4 -22.1 9 8 A E - 0 0 26 127,-0.4 -1,-0.1 1,-0.1 131,-0.1 -0.587 45.0-112.6 -68.2 123.1 -37.0 -12.9 -18.3 10 9 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.173 26.5-113.1 -59.7 146.3 -39.3 -10.0 -17.1 11 10 A F - 0 0 91 1,-0.1 2,-0.4 -3,-0.1 118,-0.0 -0.534 37.8-102.4 -75.0 149.0 -37.8 -7.4 -14.9 12 11 A T - 0 0 25 -2,-0.2 2,-1.0 117,-0.1 -1,-0.1 -0.641 25.2-138.4 -77.9 125.9 -39.2 -7.3 -11.3 13 12 A D > - 0 0 83 -2,-0.4 3,-1.4 1,-0.1 6,-0.3 -0.756 15.5-170.1 -83.6 100.9 -41.8 -4.6 -10.7 14 13 A F T 3 S+ 0 0 10 -2,-1.0 -1,-0.1 1,-0.2 6,-0.1 0.211 77.0 76.1 -80.6 16.9 -40.9 -3.3 -7.2 15 14 A T T 3 S+ 0 0 86 4,-0.0 2,-0.4 5,-0.0 -1,-0.2 0.569 75.7 90.2 -94.0 -16.6 -44.1 -1.2 -7.0 16 15 A V S X> S- 0 0 66 -3,-1.4 4,-1.3 1,-0.1 3,-0.8 -0.706 81.9-136.5 -76.0 129.8 -46.0 -4.5 -6.3 17 16 A E H 3> S+ 0 0 135 -2,-0.4 4,-1.8 1,-0.2 3,-0.2 0.870 100.0 52.7 -56.6 -44.4 -46.1 -5.0 -2.5 18 17 A A H 3> S+ 0 0 65 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.695 103.7 57.4 -69.7 -22.1 -45.2 -8.7 -2.6 19 18 A N H <> S+ 0 0 47 -3,-0.8 4,-2.1 -6,-0.3 -1,-0.2 0.893 107.9 45.2 -76.0 -41.4 -42.1 -8.2 -4.8 20 19 A R H X S+ 0 0 91 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.931 112.7 51.4 -64.3 -49.0 -40.4 -5.8 -2.4 21 20 A K H X S+ 0 0 131 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.914 112.1 47.4 -53.0 -47.3 -41.3 -8.0 0.6 22 21 A A H X S+ 0 0 31 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.871 112.5 49.1 -63.5 -40.0 -39.7 -10.9 -1.3 23 22 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.889 109.6 50.9 -68.9 -41.5 -36.6 -8.9 -2.2 24 23 A E H X S+ 0 0 104 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.859 108.1 53.7 -62.2 -38.0 -36.1 -7.7 1.4 25 24 A E H X S+ 0 0 116 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.904 108.4 49.2 -62.1 -41.8 -36.4 -11.3 2.6 26 25 A A H X S+ 0 0 11 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.813 107.4 55.2 -66.8 -31.9 -33.6 -12.3 0.2 27 26 A L H X S+ 0 0 9 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.863 108.7 47.9 -68.2 -36.0 -31.5 -9.4 1.4 28 27 A G H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.884 109.3 54.6 -66.6 -40.5 -31.8 -10.8 5.0 29 28 A L H X S+ 0 0 85 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.909 112.6 41.6 -58.8 -48.4 -30.9 -14.3 3.7 30 29 A V H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 3,-0.4 0.886 109.1 58.9 -69.2 -41.0 -27.7 -13.0 2.1 31 30 A E H >< S+ 0 0 93 -4,-2.0 3,-0.9 1,-0.3 -2,-0.2 0.903 106.3 48.3 -57.5 -41.5 -26.8 -10.7 5.1 32 31 A K H 3< S+ 0 0 184 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.800 110.9 52.6 -68.6 -26.9 -26.8 -13.8 7.4 33 32 A E H >< S+ 0 0 59 -4,-0.9 3,-0.9 -3,-0.4 -1,-0.2 0.514 84.1 116.9 -86.3 -7.6 -24.6 -15.6 4.8 34 33 A L T << + 0 0 28 -3,-0.9 32,-0.2 -4,-0.8 31,-0.2 -0.317 65.1 35.1 -61.7 141.5 -22.0 -12.8 4.7 35 34 A G T 3 S+ 0 0 41 30,-1.9 31,-0.2 1,-0.2 -1,-0.2 0.474 81.8 144.0 96.3 5.4 -18.4 -13.7 5.8 36 35 A K E < -a 66 0A 87 -3,-0.9 31,-2.0 29,-0.7 2,-0.4 -0.238 48.8-116.5 -74.6 158.8 -18.3 -17.3 4.6 37 36 A E E -a 67 0A 109 29,-0.2 31,-0.2 31,-0.0 -1,-0.1 -0.848 24.0-157.9-103.3 137.2 -15.3 -19.0 3.2 38 37 A Y E -a 68 0A 4 29,-2.5 31,-2.7 -2,-0.4 2,-0.1 -0.947 4.5-148.6-121.6 121.3 -15.2 -20.3 -0.4 39 38 A P - 0 0 30 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.396 26.4-104.3 -74.9 158.5 -12.9 -23.0 -1.8 40 39 A L E -C 47 0B 0 7,-2.3 7,-2.4 -2,-0.1 2,-0.5 -0.446 32.4-135.5 -64.3 154.1 -11.5 -23.3 -5.3 41 40 A I E +CD 46 234B 17 193,-1.9 193,-1.9 5,-0.2 2,-0.4 -0.970 32.2 164.7-121.3 112.7 -13.2 -25.9 -7.5 42 41 A I E > S-C 45 0B 13 3,-2.3 3,-1.6 -2,-0.5 191,-0.1 -0.976 74.4 -17.2-132.6 116.3 -10.9 -28.1 -9.5 43 42 A N T 3 S- 0 0 41 -2,-0.4 186,-0.2 1,-0.3 3,-0.1 0.835 125.5 -57.5 55.7 36.8 -12.2 -31.4 -11.0 44 43 A G T 3 S+ 0 0 30 188,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.218 113.6 119.6 83.6 -13.3 -15.2 -31.2 -8.7 45 44 A E E < -C 42 0B 132 -3,-1.6 -3,-2.3 1,-0.0 2,-0.5 -0.604 66.2-124.8 -86.4 142.2 -13.0 -31.2 -5.6 46 45 A R E -C 41 0B 206 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.783 27.5-169.0 -84.0 123.1 -13.0 -28.3 -3.1 47 46 A V E -C 40 0B 42 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.4 -0.935 0.8-166.2-121.8 108.8 -9.4 -26.9 -2.7 48 47 A T - 0 0 99 -2,-0.5 2,-0.3 -9,-0.2 4,-0.1 -0.754 1.8-168.8 -93.6 133.2 -8.8 -24.5 0.2 49 48 A T - 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