==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/OXIDOREDUCTASE 01-MAY-07 2PQ4 . COMPND 2 MOLECULE: PROTEIN NAPD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.M.MINAILIUC,I.EKIEL,M.MILAD,MONTREAL-KINGSTON BACTERIAL . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 65.6 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 17.6 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 . 0 0.0 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 . 12 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 0 0 1 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 1 1 1 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 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 1 A G 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.5 12.1 4.3 5.3 2 2 A S - 0 0 127 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.011 360.0 -31.8 52.6-167.0 13.0 0.7 4.4 3 3 A H S S+ 0 0 194 1,-0.0 -1,-0.1 2,-0.0 2,-0.0 -0.702 83.6 127.6 -85.5 125.0 13.8 0.0 0.7 4 4 A M + 0 0 156 -2,-0.5 2,-0.4 0, 0.0 -1,-0.0 -0.291 18.6 133.2-175.7 80.7 11.7 2.2 -1.7 5 5 A H + 0 0 124 2,-0.0 2,-0.3 78,-0.0 -2,-0.0 -0.968 13.6 138.1-141.2 124.9 13.5 4.2 -4.4 6 6 A T + 0 0 118 -2,-0.4 2,-0.3 78,-0.0 78,-0.1 -0.829 12.3 157.8-166.8 124.0 12.5 4.5 -8.1 7 7 A N - 0 0 32 76,-1.0 75,-0.1 -2,-0.3 3,-0.1 -0.945 27.4-150.8-144.3 166.1 12.4 7.5 -10.6 8 8 A W S S- 0 0 221 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.817 71.3 -29.6-104.0 -70.9 12.4 8.1 -14.3 9 9 A Q S S+ 0 0 38 44,-0.1 44,-1.1 46,-0.1 2,-0.3 -0.894 71.2 136.2-155.5 121.8 14.0 11.5 -15.2 10 10 A V E +AB 52 81A 2 71,-0.5 71,-1.7 -2,-0.3 2,-0.3 -0.947 16.2 177.0-165.2 142.4 14.0 14.7 -13.1 11 11 A C E -AB 51 80A 16 40,-1.3 40,-1.7 -2,-0.3 2,-0.6 -0.907 32.9-105.3-142.6 171.1 16.5 17.5 -12.2 12 12 A S E -A 50 0A 4 67,-1.2 66,-0.4 -2,-0.3 2,-0.4 -0.878 32.3-168.4-105.0 121.6 16.6 20.8 -10.3 13 13 A L E -A 49 0A 13 36,-2.9 36,-3.4 -2,-0.6 2,-0.9 -0.876 16.5-139.8-109.6 139.4 16.8 24.0 -12.4 14 14 A V E -AC 48 76A 3 62,-1.2 62,-2.4 -2,-0.4 2,-0.4 -0.788 17.9-157.2 -98.8 100.8 17.5 27.4 -10.9 15 15 A V E -AC 47 75A 2 32,-1.8 32,-1.6 -2,-0.9 2,-0.7 -0.602 3.6-155.8 -77.9 129.0 15.3 30.0 -12.7 16 16 A Q E +AC 46 74A 46 58,-2.0 58,-2.2 -2,-0.4 57,-2.0 -0.886 31.6 139.8-109.3 111.8 16.7 33.5 -12.5 17 17 A A E - C 0 72A 0 28,-2.5 55,-0.3 -2,-0.7 54,-0.1 -0.919 60.0 -57.2-142.2 168.7 14.1 36.3 -12.8 18 18 A K > - 0 0 121 53,-2.1 4,-2.4 -2,-0.3 3,-0.5 -0.052 60.6-106.4 -43.6 148.2 13.4 39.7 -11.3 19 19 A S H > S+ 0 0 66 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.920 123.2 29.8 -48.5 -47.2 13.0 39.4 -7.5 20 20 A E H > S+ 0 0 149 2,-0.2 4,-0.9 1,-0.1 -1,-0.3 0.585 113.1 67.6 -92.1 -5.3 9.2 39.9 -7.7 21 21 A R H >> S+ 0 0 77 -3,-0.5 4,-2.5 2,-0.2 3,-0.7 0.958 97.9 50.3 -74.7 -50.5 9.1 38.3 -11.2 22 22 A I H 3X>S+ 0 0 5 -4,-2.4 5,-1.5 1,-0.3 4,-1.2 0.908 101.2 62.6 -55.7 -41.0 10.0 34.8 -10.0 23 23 A S H 3<5S+ 0 0 73 -4,-0.7 4,-0.4 -5,-0.3 -1,-0.3 0.932 111.5 40.2 -52.5 -40.4 7.3 35.0 -7.3 24 24 A D H X5S+ 0 0 0 -4,-1.2 4,-1.1 -5,-0.3 3,-0.5 0.961 108.8 50.7 -52.3 -52.7 8.6 30.7 -10.2 27 27 A T H 3>X S+ 0 0 110 -4,-0.7 3,-1.6 -3,-0.3 4,-1.3 0.934 94.2 62.1 -61.6 -44.2 3.7 28.9 -11.0 29 29 A L H << S+ 0 0 15 -4,-1.8 3,-0.4 -3,-0.5 -1,-0.2 0.881 100.3 55.1 -51.0 -36.5 6.3 26.1 -11.7 30 30 A N H 3< S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.812 101.6 58.3 -68.8 -25.9 5.2 24.6 -8.3 31 31 A A H << S+ 0 0 75 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.820 92.4 84.5 -73.6 -28.1 1.6 24.6 -9.5 32 32 A F S < S- 0 0 121 -4,-1.3 0, 0.0 -3,-0.4 0, 0.0 -0.384 79.1-133.4 -73.5 155.0 2.5 22.3 -12.5 33 33 A P S S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 19,-0.1 0.968 103.0 34.4 -73.2 -56.7 2.8 18.6 -12.0 34 34 A G S S+ 0 0 21 17,-0.1 18,-0.4 -24,-0.0 2,-0.1 0.992 116.7 57.4 -64.1 -58.9 6.1 18.0 -13.8 35 35 A C + 0 0 5 16,-0.2 2,-0.3 -7,-0.0 16,-0.3 -0.464 69.1 171.3 -72.8 143.1 7.7 21.2 -12.7 36 36 A E E -D 50 0A 62 14,-2.8 14,-3.3 -2,-0.1 2,-0.5 -0.932 35.1-121.0-155.8 128.7 7.9 21.8 -8.9 37 37 A V E +D 49 0A 10 -2,-0.3 12,-0.3 12,-0.3 3,-0.2 -0.550 31.4 173.5 -71.8 120.2 9.7 24.5 -6.8 38 38 A A E + 0 0 6 10,-1.9 2,-0.5 -2,-0.5 11,-0.2 0.894 69.1 23.4 -93.6 -51.1 12.1 22.7 -4.4 39 39 A V E -D 48 0A 11 9,-1.1 9,-2.7 2,-0.1 2,-0.8 -0.951 65.8-165.4-120.6 120.4 14.0 25.6 -2.8 40 40 A S + 0 0 78 -2,-0.5 2,-0.3 7,-0.2 7,-0.1 -0.839 26.8 148.9-106.8 103.3 12.4 29.1 -2.7 41 41 A D - 0 0 48 -2,-0.8 5,-0.3 5,-0.4 3,-0.3 -0.971 40.5-148.3-133.3 148.1 15.0 31.8 -1.8 42 42 A A + 0 0 89 -2,-0.3 5,-0.1 1,-0.2 -23,-0.0 -0.344 50.2 131.8-111.7 54.4 15.3 35.4 -2.7 43 43 A P S S- 0 0 67 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.883 98.9 -14.8 -70.7 -38.8 19.1 35.8 -2.7 44 44 A S S S- 0 0 79 -3,-0.3 -25,-0.1 2,-0.2 -2,-0.1 0.205 112.6 -74.6-149.4 14.5 19.0 37.6 -6.1 45 45 A G S S+ 0 0 1 1,-0.3 -28,-2.5 -4,-0.1 2,-0.4 0.764 97.0 118.2 94.0 28.1 15.5 36.9 -7.5 46 46 A Q E -A 16 0A 8 -5,-0.3 -5,-0.4 -30,-0.2 -1,-0.3 -0.983 40.0-170.4-130.2 137.7 16.1 33.2 -8.5 47 47 A L E -A 15 0A 16 -32,-1.6 -32,-1.8 -2,-0.4 2,-0.6 -0.859 24.8-117.0-123.1 159.8 14.4 30.1 -7.2 48 48 A I E +AD 14 39A 0 -9,-2.7 -10,-1.9 -2,-0.3 -9,-1.1 -0.832 34.7 174.4 -98.9 124.7 15.1 26.4 -7.6 49 49 A V E -AD 13 37A 2 -36,-3.4 -36,-2.9 -2,-0.6 2,-0.3 -0.984 17.5-150.1-132.1 128.7 12.5 24.3 -9.4 50 50 A V E -AD 12 36A 14 -14,-3.3 -14,-2.8 -2,-0.4 2,-0.4 -0.719 13.3-169.2 -96.2 146.2 12.7 20.6 -10.4 51 51 A V E -A 11 0A 3 -40,-1.7 -40,-1.3 -2,-0.3 2,-0.4 -0.994 4.0-165.0-136.2 139.3 10.9 19.2 -13.5 52 52 A E E +A 10 0A 90 -18,-0.4 2,-0.3 -2,-0.4 -42,-0.2 -0.930 16.6 155.7-123.5 147.7 10.3 15.7 -14.6 53 53 A A - 0 0 29 -44,-1.1 -44,-0.1 -2,-0.4 6,-0.1 -0.945 59.7 -75.1-156.3 176.4 9.2 14.3 -18.0 54 54 A E S S- 0 0 156 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.918 108.0 -29.0 -46.6 -46.7 9.3 11.3 -20.3 55 55 A D S > S- 0 0 92 1,-0.1 4,-2.1 -46,-0.0 3,-0.3 -0.872 80.5 -71.9-155.3-171.7 13.0 12.1 -21.1 56 56 A S H > S+ 0 0 62 -2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.921 123.0 64.1 -60.8 -41.2 15.5 14.9 -21.4 57 57 A E H > S+ 0 0 148 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.928 110.2 38.0 -49.2 -47.0 13.8 16.1 -24.6 58 58 A T H > S+ 0 0 49 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.864 112.6 58.5 -74.8 -33.7 10.6 16.9 -22.7 59 59 A L H >X S+ 0 0 12 -4,-2.1 4,-0.9 1,-0.2 3,-0.5 0.939 105.9 47.9 -62.0 -44.5 12.6 18.2 -19.6 60 60 A I H 3X S+ 0 0 98 -4,-3.0 4,-1.1 1,-0.2 3,-0.3 0.843 98.7 71.6 -66.6 -28.7 14.3 20.9 -21.7 61 61 A Q H >X S+ 0 0 131 -4,-1.0 3,-0.9 -5,-0.4 4,-0.6 0.929 92.9 55.3 -52.7 -45.5 10.9 21.8 -23.1 62 62 A T H XX S+ 0 0 41 -4,-1.1 3,-1.9 -3,-0.5 4,-1.2 0.915 97.3 63.5 -56.9 -41.6 9.9 23.3 -19.8 63 63 A I H 3X S+ 0 0 42 -4,-0.9 4,-3.4 -3,-0.3 5,-0.5 0.883 89.3 68.8 -52.4 -36.7 13.0 25.6 -19.8 64 64 A E H < S- 0 0 26 -4,-1.6 3,-1.1 -5,-0.2 -4,-0.0 -0.480 71.4-143.1 -67.2 124.5 9.6 34.5 -19.8 70 70 A E T 3 S+ 0 0 172 -2,-0.3 -1,-0.2 1,-0.3 -52,-0.2 0.948 99.5 62.5 -54.2 -49.7 10.7 38.2 -19.7 71 71 A G T 3 S+ 0 0 7 -54,-0.1 -53,-2.1 -50,-0.1 2,-0.7 0.855 91.7 80.1 -46.3 -32.9 10.8 38.1 -15.8 72 72 A V E < +C 17 0A 12 -3,-1.1 -55,-0.3 -55,-0.3 3,-0.1 -0.656 52.3 168.9 -80.5 116.0 13.5 35.5 -16.3 73 73 A L E + 0 0 112 -57,-2.0 2,-0.3 -2,-0.7 -56,-0.2 0.666 67.7 8.0 -99.3 -19.5 16.8 37.2 -17.0 74 74 A A E -C 16 0A 29 -58,-2.2 -58,-2.0 -8,-0.1 2,-0.3 -0.946 59.4-153.0-151.1 171.6 19.0 34.0 -16.6 75 75 A V E +C 15 0A 52 -2,-0.3 2,-0.5 -60,-0.2 -60,-0.2 -0.869 10.5 176.7-155.8 118.5 18.8 30.3 -16.1 76 76 A S E +C 14 0A 62 -62,-2.4 -62,-1.2 -2,-0.3 2,-0.8 -0.800 7.7 171.8-126.1 93.1 21.2 27.9 -14.4 77 77 A L + 0 0 66 -2,-0.5 2,-0.3 -64,-0.3 -64,-0.2 -0.835 14.1 148.2-103.9 105.0 20.0 24.3 -14.1 78 78 A V + 0 0 85 -2,-0.8 2,-0.2 -66,-0.4 34,-0.1 -0.748 30.5 92.8-138.3 91.8 22.7 21.9 -12.9 79 79 A Y - 0 0 25 -2,-0.3 -67,-1.2 11,-0.1 2,-0.5 -0.615 51.2-147.8-179.3 114.4 21.6 18.9 -10.8 80 80 A H E -B 11 0A 86 9,-0.3 2,-0.5 -69,-0.2 -69,-0.2 -0.763 16.6-177.4 -92.4 129.3 20.7 15.3 -11.8 81 81 A Q E +B 10 0A 10 -71,-1.7 -71,-0.5 -2,-0.5 2,-0.3 -0.865 27.9 118.8-129.4 102.0 18.0 13.6 -9.7 82 82 A Q - 0 0 31 -2,-0.5 2,-0.6 -73,-0.1 3,-0.3 -0.953 50.0-133.8-161.6 139.0 17.2 10.0 -10.5 83 83 A E S S+ 0 0 38 -2,-0.3 -76,-1.0 1,-0.2 3,-0.1 -0.842 73.5 77.9 -99.7 118.9 17.3 6.6 -8.6 84 84 A E S S- 0 0 132 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.092 94.9 -15.9 178.7 -46.1 18.8 3.8 -10.7 85 85 A Q - 0 0 156 -3,-0.3 2,-0.4 0, 0.0 -1,-0.2 -0.985 56.8-113.4-166.6 171.3 22.7 4.0 -10.8 86 86 A G + 0 0 66 -2,-0.3 -3,-0.0 1,-0.1 3,-0.0 -0.960 54.1 120.0-121.4 133.6 25.7 6.2 -10.2 87 87 A E + 0 0 144 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.199 59.0 67.5-177.6 30.3 28.0 7.5 -12.9 88 88 A E S S- 0 0 88 -8,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.689 73.1 -96.6-141.1-164.8 27.9 11.3 -13.0 89 89 A T 0 0 121 -2,-0.2 -9,-0.3 1,-0.2 -2,-0.1 -0.685 360.0 360.0-117.9 174.5 28.9 14.4 -10.9 90 90 A P 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -11,-0.1 -0.025 360.0 360.0 -73.0 360.0 27.2 16.7 -8.4 91 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 1 B M 0 0 230 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.2 -0.8 15.1 -2.3 93 2 B K + 0 0 216 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.542 360.0 148.4 -99.4 70.9 1.9 12.5 -2.9 94 3 B L + 0 0 96 -2,-1.1 0, 0.0 1,-0.1 0, 0.0 -0.872 5.2 136.6-108.0 109.2 5.0 14.5 -1.8 95 4 B S + 0 0 119 -2,-0.7 -1,-0.1 3,-0.0 -2,-0.0 -0.369 66.1 38.4-148.0 64.1 7.8 12.4 -0.3 96 5 B R S >> S+ 0 0 70 3,-0.0 4,-3.5 0, 0.0 3,-0.8 0.223 77.2 94.0-177.7 -32.0 11.2 13.4 -1.5 97 6 B R H 3> S+ 0 0 105 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.790 91.5 55.6 -50.8 -23.2 11.4 17.3 -1.8 98 7 B S H 3> S+ 0 0 97 2,-0.2 4,-0.5 3,-0.1 -1,-0.3 0.901 114.6 35.3 -78.3 -39.9 12.9 17.1 1.7 99 8 B F H <> S+ 0 0 101 -3,-0.8 4,-1.1 2,-0.2 3,-0.2 0.891 121.0 47.6 -80.6 -39.8 15.7 14.7 0.7 100 9 B M H >X S+ 0 0 3 -4,-3.5 4,-3.5 1,-0.2 3,-0.8 0.959 104.2 59.1 -66.8 -48.7 16.2 16.2 -2.8 101 10 B K H 3X S+ 0 0 84 -4,-1.4 4,-1.9 -5,-0.4 -1,-0.2 0.836 100.2 61.2 -50.5 -29.3 16.3 19.8 -1.6 102 11 B A H 3X S+ 0 0 52 -4,-0.5 4,-0.7 -3,-0.2 -1,-0.3 0.944 115.8 28.8 -65.5 -45.3 19.3 18.7 0.6 103 12 B N H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 3,-0.7 0.944 104.3 50.9 -54.2 -48.1 19.8 20.2 -4.9 105 14 B V H 3X>S+ 0 0 2 -4,-1.9 4,-2.8 -5,-0.3 5,-0.5 0.870 104.0 59.7 -59.9 -33.0 20.9 23.1 -2.7 106 15 B A H 3X5S+ 0 0 42 -4,-0.7 4,-0.7 -3,-0.3 -1,-0.2 0.866 115.5 33.5 -64.8 -32.6 24.4 21.7 -2.6 107 16 B A H <<5S+ 0 0 13 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.619 123.4 46.6 -96.9 -14.0 24.6 22.0 -6.4 108 17 B A H X5S+ 0 0 5 -4,-2.0 6,-1.3 -5,-0.3 4,-1.2 0.714 114.7 45.0 -98.3 -24.1 22.5 25.1 -6.6 109 18 B A H X5S+ 0 0 7 -4,-2.8 4,-0.8 -5,-0.3 -3,-0.2 0.934 116.0 42.2 -84.7 -51.1 24.2 27.1 -3.8 110 19 B A H <