==== 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 13-MAR-07 2EII . 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) . 35656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 72.2 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 . 70 6.8 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 . 3 0.3 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 . 68 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 33.0 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 2 0 2 0 2 2 2 4 2 2 2 3 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 1 1 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 60 0, 0.0 2,-0.5 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 122.0 42.4 15.0 101.1 2 2 A T + 0 0 148 3,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.958 360.0 157.1-121.7 118.3 45.0 17.2 99.2 3 3 A V - 0 0 60 -2,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.780 49.7 -74.5-126.5 169.3 44.0 18.9 96.0 4 4 A E - 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.310 64.5 -87.2 -58.9 148.9 45.3 21.9 94.0 5 5 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.275 60.0 -86.5 -53.1 144.1 44.4 25.3 95.5 6 6 A F + 0 0 29 -3,-0.1 2,-0.3 138,-0.1 134,-0.0 -0.268 51.2 176.4 -53.8 136.2 41.0 26.6 94.4 7 7 A R - 0 0 169 -3,-0.1 2,-0.2 670,-0.0 136,-0.1 -0.978 34.4-104.9-135.2 147.5 40.9 28.5 91.1 8 8 A N - 0 0 34 -2,-0.3 129,-0.1 1,-0.1 3,-0.0 -0.476 38.1-106.7 -69.9 140.9 37.8 29.8 89.3 9 9 A E - 0 0 23 127,-0.4 -1,-0.1 -2,-0.2 131,-0.1 -0.526 43.4-109.3 -64.9 124.5 36.6 28.0 86.2 10 10 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.363 26.9-125.8 -61.9 138.2 37.5 30.1 83.2 11 11 A I - 0 0 72 -3,-0.0 2,-0.2 125,-0.0 122,-0.1 -0.769 26.2-124.2 -85.3 123.0 34.5 31.7 81.5 12 12 A E - 0 0 49 -2,-0.5 120,-0.2 1,-0.1 121,-0.1 -0.472 25.6-176.0 -72.8 134.2 34.4 30.9 77.8 13 13 A T - 0 0 72 -2,-0.2 -1,-0.1 119,-0.1 116,-0.1 0.539 33.9-132.4-103.1 -13.6 34.3 33.8 75.4 14 14 A F + 0 0 4 1,-0.1 -2,-0.1 114,-0.1 115,-0.0 0.865 63.3 133.1 64.1 39.6 34.1 31.7 72.2 15 15 A Q + 0 0 139 4,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.503 53.3 75.5 -95.0 -8.7 36.8 33.7 70.4 16 16 A T S > S- 0 0 70 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.801 82.1-129.6-102.2 149.9 38.6 30.6 69.1 17 17 A E H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.861 111.2 58.4 -62.9 -34.3 37.3 28.4 66.3 18 18 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 107.9 44.7 -60.9 -44.1 37.8 25.4 68.6 19 19 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.894 113.2 50.1 -69.3 -43.5 35.3 27.0 71.1 20 20 A R H X S+ 0 0 107 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.921 111.1 49.9 -58.2 -45.8 32.8 28.0 68.5 21 21 A R H X S+ 0 0 149 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 111.8 47.3 -60.9 -47.1 32.9 24.5 67.0 22 22 A A H X S+ 0 0 43 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.910 114.8 46.4 -60.2 -43.1 32.4 22.9 70.4 23 23 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.912 109.9 52.8 -69.2 -43.6 29.5 25.2 71.2 24 24 A R H X S+ 0 0 80 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.937 112.0 46.6 -56.1 -46.6 27.8 24.8 67.8 25 25 A E H X S+ 0 0 84 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.913 112.2 50.5 -62.6 -41.1 27.8 21.0 68.2 26 26 A A H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 112.2 46.6 -63.4 -44.3 26.5 21.3 71.8 27 27 A L H X S+ 0 0 10 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.907 111.1 52.5 -62.6 -45.1 23.6 23.6 70.7 28 28 A R H X S+ 0 0 136 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.927 111.5 46.0 -56.7 -46.6 22.8 21.3 67.8 29 29 A R H X S+ 0 0 164 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.890 113.8 47.6 -67.8 -38.3 22.6 18.2 70.1 30 30 A V H >< S+ 0 0 3 -4,-2.2 3,-0.9 2,-0.2 4,-0.3 0.949 113.2 48.6 -65.7 -46.5 20.5 20.0 72.7 31 31 A R H >< S+ 0 0 97 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.897 108.4 54.6 -58.6 -41.8 18.2 21.4 70.0 32 32 A E H 3< S+ 0 0 151 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 106.3 54.1 -62.5 -21.7 17.9 17.8 68.5 33 33 A E T X< S+ 0 0 50 -3,-0.9 3,-1.7 -4,-0.9 -1,-0.3 0.416 76.0 136.1 -95.6 0.2 16.9 16.6 72.0 34 34 A F T < + 0 0 35 -3,-1.5 32,-0.2 -4,-0.3 31,-0.2 -0.177 64.9 35.9 -47.5 135.3 13.9 19.1 72.4 35 35 A G T 3 S+ 0 0 48 30,-1.4 -1,-0.2 1,-0.3 31,-0.2 0.281 79.9 147.0 102.2 -7.7 10.9 17.4 73.8 36 36 A R E < -a 66 0A 91 -3,-1.7 31,-2.3 29,-0.6 2,-0.4 -0.230 41.8-134.1 -59.1 146.0 12.7 15.0 76.1 37 37 A H E -a 67 0A 65 29,-0.2 31,-0.2 31,-0.0 -1,-0.1 -0.918 15.8-165.0-109.3 133.6 11.0 14.1 79.4 38 38 A Y E -a 68 0A 5 29,-2.4 31,-1.9 -2,-0.4 179,-0.0 -0.970 10.1-148.4-119.9 120.5 12.8 14.1 82.7 39 39 A P - 0 0 31 0, 0.0 9,-0.2 0, 0.0 2,-0.1 -0.091 30.7 -86.7 -70.5 177.4 11.2 12.4 85.8 40 40 A L E -C 47 0B 0 7,-2.6 7,-2.1 196,-0.1 2,-0.4 -0.315 36.4-133.7 -69.4 168.3 11.6 13.4 89.5 41 41 A Y E +CD 46 235B 6 194,-1.8 194,-2.9 5,-0.2 2,-0.4 -0.958 35.6 161.2-131.4 111.7 14.6 12.1 91.4 42 42 A I E > -C 45 0B 15 3,-2.5 3,-1.6 -2,-0.4 192,-0.1 -0.999 64.3 -9.9-136.0 129.4 13.8 10.6 94.8 43 43 A G T 3 S- 0 0 26 -2,-0.4 -1,-0.1 1,-0.3 191,-0.1 0.851 129.3 -48.6 49.4 45.0 15.8 8.3 96.9 44 44 A G T 3 S+ 0 0 19 189,-0.4 2,-0.3 185,-0.2 -1,-0.3 0.481 119.9 92.2 82.0 4.3 18.4 7.5 94.2 45 45 A E E < S-C 42 0B 125 -3,-1.6 -3,-2.5 2,-0.0 2,-0.5 -0.967 77.2-113.7-132.9 152.3 15.9 6.8 91.4 46 46 A W E -C 41 0B 81 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.675 36.9-169.4 -79.0 124.8 14.1 8.6 88.6 47 47 A V E -C 40 0B 45 -7,-2.1 -7,-2.6 -2,-0.5 2,-0.1 -0.976 5.6-151.8-124.8 120.3 10.3 8.6 89.5 48 48 A D - 0 0 91 -2,-0.5 2,-0.3 -9,-0.2 3,-0.1 -0.434 6.7-159.5 -90.6 164.2 7.7 9.7 87.0 49 49 A T - 0 0 28 2,-0.3 22,-0.1 -2,-0.1 -1,-0.0 -0.876 28.5-119.4-131.5 166.6 4.3 11.3 87.6 50 50 A K S S+ 0 0 213 -2,-0.3 -1,-0.1 20,-0.1 2,-0.0 0.933 98.5 62.2 -71.6 -49.0 1.0 11.6 85.6 51 51 A E S S- 0 0 127 19,-0.2 19,-0.8 -3,-0.1 2,-0.3 -0.325 74.8-159.9 -72.9 160.6 1.2 15.4 85.6 52 52 A R E -B 69 0A 152 17,-0.2 2,-0.4 -4,-0.1 17,-0.2 -0.930 20.2-130.7-140.5 163.1 4.0 17.3 84.0 53 53 A M E -B 68 0A 18 15,-2.7 15,-2.2 -2,-0.3 2,-0.4 -0.952 27.0-147.4-109.9 134.5 5.9 20.6 83.9 54 54 A V E -B 67 0A 67 -2,-0.4 2,-0.6 13,-0.2 13,-0.2 -0.887 5.8-158.3-108.7 133.2 6.4 22.1 80.4 55 55 A S E -B 66 0A 1 11,-2.6 10,-2.1 -2,-0.4 11,-1.3 -0.951 12.3-159.9-116.1 116.6 9.5 24.1 79.7 56 56 A L E -B 64 0A 70 -2,-0.6 8,-0.2 8,-0.2 6,-0.1 -0.557 24.6-113.5 -93.3 155.2 9.3 26.5 76.7 57 57 A N > - 0 0 7 6,-2.4 3,-1.8 3,-0.5 6,-0.3 -0.818 23.0-155.5 -79.7 110.0 12.0 28.1 74.5 58 58 A P T 3 S+ 0 0 0 0, 0.0 339,-2.2 0, 0.0 305,-0.1 0.706 93.9 57.8 -64.4 -17.8 11.6 31.9 75.3 59 59 A S T 3 S+ 0 0 12 63,-0.4 337,-0.7 1,-0.3 336,-0.1 0.629 132.5 7.1 -79.8 -14.9 13.2 32.8 72.0 60 60 A A S X S- 0 0 18 -3,-1.8 3,-2.7 335,-0.2 -3,-0.5 -0.501 74.4-172.1-165.7 75.9 10.5 30.7 70.2 61 61 A P T 3 S+ 0 0 19 0, 0.0 305,-0.0 0, 0.0 -2,-0.0 0.518 78.3 74.6 -70.7 -2.7 7.9 29.7 72.8 62 62 A S T 3 S+ 0 0 84 -5,-0.1 2,-0.5 -6,-0.1 334,-0.0 0.632 86.6 85.6 -68.7 -14.6 6.0 27.5 70.4 63 63 A E S < S- 0 0 57 -3,-2.7 -6,-2.4 -6,-0.3 2,-0.7 -0.781 74.0-146.5 -95.7 128.8 9.0 25.2 71.0 64 64 A V E - B 0 56A 53 -2,-0.5 -8,-0.2 -8,-0.2 -29,-0.2 -0.811 9.0-169.8 -95.1 112.6 9.0 22.8 73.9 65 65 A V E - 0 0 5 -10,-2.1 -30,-1.4 -2,-0.7 -29,-0.6 0.916 65.1 -52.6 -66.7 -42.4 12.6 22.4 75.2 66 66 A G E -aB 36 55A 0 -11,-1.3 -11,-2.6 -32,-0.2 2,-0.3 -0.974 48.0-121.7-178.2 173.0 11.5 19.5 77.5 67 67 A T E -aB 37 54A 8 -31,-2.3 -29,-2.4 -2,-0.3 2,-0.3 -0.919 18.8-163.3-127.7 159.4 9.0 18.4 80.1 68 68 A T E -aB 38 53A 0 -15,-2.2 -15,-2.7 -2,-0.3 -28,-0.1 -0.914 31.0 -93.5-129.7 166.1 9.5 17.0 83.6 69 69 A A E - B 0 52A 0 -31,-1.9 2,-0.4 -2,-0.3 -17,-0.2 -0.211 42.7-124.8 -61.2 168.6 7.4 15.2 86.1 70 70 A K - 0 0 40 -19,-0.8 2,-0.4 -18,-0.1 168,-0.2 -0.979 13.9-141.2-130.4 121.3 5.5 17.3 88.6 71 71 A A + 0 0 4 166,-2.8 168,-0.4 -2,-0.4 172,-0.3 -0.650 24.6 170.1 -85.9 128.4 5.8 16.9 92.4 72 72 A G > - 0 0 30 -2,-0.4 4,-2.1 166,-0.1 3,-0.2 -0.399 57.2 -66.5-111.6-159.8 2.8 17.3 94.6 73 73 A K H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 130.6 54.3 -63.2 -37.9 2.4 16.5 98.3 74 74 A A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 111.4 45.0 -64.3 -41.0 2.8 12.8 97.9 75 75 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.844 111.1 53.8 -71.3 -36.5 6.1 13.2 96.2 76 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 109.9 48.6 -58.8 -45.6 7.2 15.8 98.7 77 77 A E H X S+ 0 0 56 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 111.1 49.3 -62.5 -41.5 6.4 13.2 101.5 78 78 A A H X S+ 0 0 46 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 111.9 49.0 -63.9 -40.2 8.4 10.5 99.6 79 79 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.889 109.5 52.1 -67.3 -40.8 11.3 12.9 99.3 80 80 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.925 110.5 47.5 -58.9 -47.2 11.2 13.8 103.0 81 81 A E H X S+ 0 0 101 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.927 114.7 46.5 -60.5 -45.2 11.3 10.1 104.0 82 82 A A H X S+ 0 0 18 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 113.6 48.7 -62.2 -43.2 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 0.884 113.3 44.9 -68.9 -40.4 16.1 12.5 102.8 84 84 A W H X S+ 0 0 47 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.903 113.1 50.9 -71.4 -39.8 15.7 11.9 106.5 85 85 A K H X S+ 0 0 159 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.930 113.6 45.7 -60.5 -43.6 16.6 8.2 106.0 86 86 A A H >X S+ 0 0 7 -4,-2.3 4,-3.1 1,-0.2 3,-1.2 0.888 104.4 62.4 -66.8 -37.5 19.7 9.2 104.1 87 87 A F H 3X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.888 91.4 67.1 -57.5 -40.3 20.7 11.9 106.6 88 88 A K H 3< S+ 0 0 142 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.814 118.7 20.2 -50.6 -37.1 21.1 9.2 109.3 89 89 A T H X< S+ 0 0 89 -3,-1.2 3,-1.3 -4,-0.5 4,-0.4 0.766 117.9 61.9-102.9 -36.8 24.1 7.7 107.5 90 90 A W H >< S+ 0 0 1 -4,-3.1 3,-1.1 1,-0.3 -3,-0.2 0.852 98.4 60.0 -58.5 -36.2 25.3 10.6 105.2 91 91 A K T 3< S+ 0 0 50 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.742 103.1 53.2 -62.6 -22.7 25.9 12.7 108.3 92 92 A D T < S+ 0 0 105 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.458 79.4 113.1 -95.4 -7.3 28.5 10.1 109.5 93 93 A W S < S- 0 0 81 -3,-1.1 5,-0.0 -4,-0.4 -3,-0.0 -0.458 81.8-103.5 -59.2 137.3 30.5 10.0 106.3 94 94 A P >> - 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