==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATASE 11-APR-02 1GXU . COMPND 2 MOLECULE: HYDROGENASE MATURATION PROTEIN HYPF; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.ROSANO,S.ZUCCOTTI,M.STEFANI,M.BUCCIANTINI,G.RAMPONI, . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 28.4 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 . 1 1.1 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 . 1 1.1 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 . 9 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 1 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 4 A N 0 0 168 0, 0.0 80,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-150.9 16.9 10.7 84.6 2 5 A T + 0 0 96 78,-0.1 2,-0.3 75,-0.0 77,-0.2 -0.381 360.0 170.5 -79.5 155.5 16.5 7.5 82.6 3 6 A S E -A 78 0A 29 75,-1.2 75,-2.7 -2,-0.1 2,-0.2 -0.983 39.3 -92.4-155.6 157.4 13.5 6.1 80.7 4 7 A C E +A 77 0A 93 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.517 49.5 172.8 -76.0 128.1 12.6 3.4 78.2 5 8 A G E -A 76 0A 8 71,-2.7 71,-1.7 -2,-0.2 2,-0.4 -0.830 25.3-126.7-122.3-179.4 12.8 4.5 74.6 6 9 A V E -AB 75 47A 8 41,-2.0 41,-2.7 -2,-0.3 2,-0.5 -0.989 11.1-156.7-132.9 137.5 12.5 2.9 71.2 7 10 A Q E -AB 74 46A 31 67,-3.0 67,-2.0 -2,-0.4 2,-0.4 -0.972 9.3-163.5-111.2 130.1 15.0 3.1 68.3 8 11 A L E -AB 73 45A 0 37,-3.3 37,-2.6 -2,-0.5 2,-0.6 -0.922 5.4-158.3-111.6 135.9 13.7 2.5 64.8 9 12 A R E -AB 72 44A 29 63,-2.5 63,-2.2 -2,-0.4 2,-0.5 -0.974 11.2-169.0-117.8 112.3 16.1 1.8 61.9 10 13 A I E -AB 71 43A 0 33,-3.1 33,-2.8 -2,-0.6 2,-0.3 -0.919 7.2-176.1-109.9 119.5 14.5 2.6 58.6 11 14 A R E +A 70 0A 59 59,-2.5 58,-2.9 -2,-0.5 59,-1.6 -0.845 35.2 65.4-119.8 151.5 16.3 1.4 55.4 12 15 A G E S-A 68 0A 32 -2,-0.3 2,-1.0 56,-0.2 56,-0.2 -0.996 104.2 -14.6 147.4-140.1 15.6 1.8 51.7 13 16 A K E S+A 67 0A 92 54,-2.6 54,-2.0 -2,-0.3 -2,-0.1 -0.862 84.7 137.8 -97.1 91.5 15.7 4.9 49.5 14 17 A V + 0 0 5 -2,-1.0 2,-0.3 52,-0.2 -1,-0.1 0.069 41.9 73.1-136.4 23.8 15.7 7.2 52.5 15 18 A Q S S+ 0 0 132 4,-0.1 28,-0.0 1,-0.1 0, 0.0 -0.983 94.1 21.0-147.2 140.7 18.2 10.0 51.7 16 19 A G S S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.667 105.0 89.5 76.6 18.4 18.0 12.9 49.2 17 20 A V S S- 0 0 17 -3,-0.0 48,-0.3 47,-0.0 49,-0.2 0.293 108.8 -95.2-131.7 5.9 14.2 12.5 49.4 18 21 A G S > S+ 0 0 41 47,-0.1 4,-1.9 45,-0.0 5,-0.1 0.705 77.7 140.1 81.5 23.9 13.1 14.7 52.2 19 22 A F H > + 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 65.6 47.1 -71.6 -49.2 13.1 11.8 54.7 20 23 A R H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.948 115.7 46.9 -59.8 -45.0 14.5 13.5 57.8 21 24 A P H > S+ 0 0 73 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 111.1 53.8 -61.3 -35.7 12.1 16.5 57.4 22 25 A F H X S+ 0 0 34 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 110.2 46.1 -60.0 -48.1 9.2 14.0 56.8 23 26 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.914 111.5 52.0 -61.5 -45.0 10.0 12.2 60.0 24 27 A W H X S+ 0 0 93 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.926 110.7 47.7 -57.1 -45.4 10.3 15.5 61.8 25 28 A Q H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.906 111.5 50.0 -65.9 -38.6 6.9 16.6 60.6 26 29 A L H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.934 110.4 50.5 -62.5 -45.7 5.3 13.3 61.5 27 30 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.6 0.927 109.8 51.0 -61.6 -36.0 6.7 13.6 65.0 28 31 A Q H ><5S+ 0 0 88 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.937 110.5 48.3 -66.0 -43.4 5.4 17.1 65.3 29 32 A Q H 3<5S+ 0 0 125 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 116.5 43.3 -64.3 -34.8 1.9 16.0 64.3 30 33 A L H 3<5S- 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.385 110.2-120.8 -93.7 5.2 2.0 13.1 66.7 31 34 A N T <<5 + 0 0 117 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.902 56.8 159.6 53.8 50.1 3.5 15.1 69.6 32 35 A L < - 0 0 16 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.624 29.1-148.1-101.8 158.7 6.5 12.8 69.8 33 36 A H + 0 0 40 -2,-0.2 15,-2.3 52,-0.1 16,-0.4 -0.961 51.3 60.8-131.3 144.8 9.9 13.5 71.3 34 37 A G E S-Cd 47 85A 1 50,-2.1 52,-2.1 -2,-0.4 2,-0.3 -0.994 71.4 -80.2 139.0-144.1 13.4 12.3 70.3 35 38 A D E -Cd 46 86A 16 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.969 16.4-141.5-156.8 168.5 15.4 12.6 67.2 36 39 A V E +Cd 45 87A 0 50,-2.0 52,-3.1 -2,-0.3 2,-0.3 -0.996 23.8 163.7-135.9 142.9 16.2 11.5 63.7 37 40 A C E -C 44 0A 10 7,-2.1 7,-2.7 -2,-0.4 2,-0.5 -0.974 34.9-131.1-151.8 159.8 19.5 11.0 61.9 38 41 A N E +C 43 0A 36 50,-0.3 5,-0.2 -2,-0.3 -2,-0.0 -0.986 27.2 172.3-113.6 109.9 21.0 9.4 58.9 39 42 A D - 0 0 79 3,-1.2 4,-0.1 -2,-0.5 -1,-0.1 0.185 62.2 -89.1-106.9 18.1 24.1 7.5 60.0 40 43 A G S S+ 0 0 69 2,-0.5 3,-0.1 0, 0.0 -2,-0.0 0.262 119.1 73.3 93.9 -13.0 25.0 5.7 56.8 41 44 A D S S- 0 0 85 1,-0.5 2,-0.2 -31,-0.0 -3,-0.0 -0.339 116.4 -74.6-125.2 51.9 22.9 2.6 57.4 42 45 A G S S- 0 0 13 -30,-0.1 -3,-1.2 -33,-0.1 -1,-0.5 -0.531 77.5 -38.1 87.9-160.9 19.5 4.2 56.8 43 46 A V E -BC 10 38A 0 -33,-2.8 -33,-3.1 -5,-0.2 2,-0.5 -0.865 49.2-153.2-107.8 127.9 17.6 6.5 59.1 44 47 A E E -BC 9 37A 23 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.5 -0.940 9.8-171.6-105.2 125.4 17.6 6.1 62.8 45 48 A V E -BC 8 36A 0 -37,-2.6 -37,-3.3 -2,-0.5 2,-0.5 -0.971 2.5-166.9-115.0 126.0 14.6 7.5 64.8 46 49 A R E -BC 7 35A 60 -11,-2.7 -11,-2.0 -2,-0.5 2,-0.4 -0.975 12.3-174.2-115.6 128.4 14.7 7.5 68.5 47 50 A L E -BC 6 34A 0 -41,-2.7 -41,-2.0 -2,-0.5 -13,-0.2 -0.926 33.4-156.0-124.2 151.0 11.5 8.1 70.4 48 51 A R S S+ 0 0 106 -15,-2.3 -1,-0.1 -2,-0.4 -14,-0.1 0.801 85.0 57.4 -82.0 -38.0 10.3 8.6 73.9 49 52 A E S S- 0 0 52 -16,-0.4 -43,-0.2 1,-0.2 -2,-0.1 -0.360 104.2 -74.7 -93.0 169.5 6.8 7.4 73.1 50 53 A D - 0 0 129 1,-0.1 4,-0.3 -2,-0.1 3,-0.2 -0.435 41.3-145.1 -60.6 143.6 5.4 4.2 71.7 51 54 A P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.364 66.6 103.2 -97.0 2.4 6.1 4.1 67.9 52 55 A E H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 84.4 39.3 -63.9 -49.8 3.0 2.4 66.5 53 56 A V H > S+ 0 0 86 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 116.8 53.8 -63.4 -43.5 1.0 5.3 65.0 54 57 A F H > S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.925 109.4 48.2 -52.2 -47.2 4.3 6.8 63.8 55 58 A L H X S+ 0 0 31 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.922 109.4 51.9 -66.2 -42.6 5.1 3.5 62.0 56 59 A V H X S+ 0 0 86 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.952 116.0 40.7 -53.4 -48.0 1.7 3.2 60.4 57 60 A Q H X S+ 0 0 56 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.839 105.9 63.7 -79.1 -25.4 2.0 6.7 59.1 58 61 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.925 112.1 38.4 -56.5 -49.3 5.7 6.4 58.1 59 62 A Y H >< S+ 0 0 112 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.913 118.5 45.8 -70.1 -44.3 4.7 3.7 55.6 60 63 A Q H 3< S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 121.9 34.9 -75.0 -29.3 1.4 5.1 54.4 61 64 A H T 3< S+ 0 0 118 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.229 78.9 152.9-115.2 18.0 2.6 8.6 53.8 62 65 A C < - 0 0 33 -3,-0.6 -3,-0.1 -4,-0.4 -4,-0.1 -0.146 57.5 -97.3 -43.6 131.6 6.2 7.9 52.7 63 66 A P > - 0 0 20 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.118 35.1-110.6 -56.1 151.9 7.4 10.8 50.4 64 67 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 -47,-0.0 0.802 115.9 45.7 -66.4 -29.7 7.0 10.0 46.8 65 68 A L T 3 S+ 0 0 105 -48,-0.3 2,-0.1 2,-0.0 -47,-0.1 0.628 101.8 84.1 -79.7 -19.6 10.7 9.7 46.0 66 69 A A < - 0 0 13 -3,-1.5 2,-0.3 -49,-0.2 -52,-0.2 -0.448 56.9-167.3 -80.8 164.1 11.4 7.6 49.1 67 70 A R E -A 13 0A 128 -54,-2.0 -54,-2.6 -2,-0.1 2,-0.6 -0.922 11.7-147.6-150.4 125.5 11.0 3.9 49.4 68 71 A I E +A 12 0A 28 -2,-0.3 -56,-0.2 -56,-0.2 3,-0.1 -0.846 20.2 171.4 -97.9 116.2 11.0 2.0 52.7 69 72 A D E - 0 0 98 -58,-2.9 2,-0.3 -2,-0.6 -57,-0.2 0.727 66.0 -5.4 -92.8 -30.5 12.5 -1.5 52.4 70 73 A S E -A 11 0A 39 -59,-1.6 -59,-2.5 2,-0.0 2,-0.4 -0.982 50.2-159.9-161.2 152.0 12.6 -2.4 56.1 71 74 A V E -A 10 0A 32 -2,-0.3 2,-0.3 -61,-0.2 -61,-0.2 -0.989 12.7-172.9-136.9 130.2 12.1 -1.1 59.6 72 75 A E E -A 9 0A 114 -63,-2.2 -63,-2.5 -2,-0.4 2,-0.4 -0.897 5.7-159.6-117.1 150.2 13.6 -2.6 62.7 73 76 A R E +A 8 0A 130 -2,-0.3 -65,-0.2 -65,-0.2 -67,-0.0 -0.973 14.1 166.2-129.4 149.0 12.9 -1.7 66.3 74 77 A E E -A 7 0A 105 -67,-2.0 -67,-3.0 -2,-0.4 2,-0.2 -0.987 32.6-113.5-152.4 153.1 14.7 -2.2 69.5 75 78 A P E +A 6 0A 98 0, 0.0 2,-0.3 0, 0.0 -69,-0.3 -0.513 36.1 168.7 -77.6 159.9 14.4 -0.7 73.0 76 79 A F E -A 5 0A 41 -71,-1.7 -71,-2.7 -2,-0.2 2,-0.6 -0.948 34.5-103.0-157.0 172.5 17.1 1.5 74.6 77 80 A I E -A 4 0A 107 -2,-0.3 2,-0.3 -73,-0.2 -73,-0.2 -0.904 24.0-140.8-102.8 122.7 17.5 3.7 77.6 78 81 A W E -A 3 0A 14 -75,-2.7 -75,-1.2 -2,-0.6 3,-0.2 -0.599 3.7-154.2 -72.0 133.6 17.3 7.5 77.3 79 82 A S S S+ 0 0 103 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.822 87.4 6.6 -75.5 -32.2 20.0 9.1 79.6 80 83 A A S S- 0 0 58 -77,-0.1 -1,-0.3 -3,-0.0 -78,-0.1 -0.983 93.2-107.7-143.7 142.4 17.8 12.2 79.7 81 84 A L - 0 0 58 -80,-0.4 2,-0.2 -2,-0.3 -47,-0.1 -0.470 34.2-116.5 -79.3 140.8 14.4 12.5 78.3 82 85 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.500 20.5-168.3 -74.1 146.0 14.0 14.5 75.2 83 86 A T S S+ 0 0 115 -2,-0.2 2,-0.3 -49,-0.1 -2,-0.0 0.384 73.0 25.8-112.9 1.1 11.8 17.7 75.3 84 87 A E S S- 0 0 129 -50,-0.1 -50,-2.1 2,-0.0 2,-0.5 -0.864 79.5-111.4-147.8 173.8 11.6 18.3 71.5 85 88 A F E -d 34 0A 3 -52,-0.3 2,-0.3 -2,-0.3 -50,-0.2 -0.985 45.3-178.5-113.9 122.0 11.9 16.3 68.3 86 89 A T E -d 35 0A 57 -52,-2.1 -50,-2.0 -2,-0.5 2,-0.6 -0.882 32.2-127.4-128.2 150.4 15.1 17.2 66.5 87 90 A I E d 36 0A 81 -2,-0.3 -50,-0.2 -52,-0.2 -52,-0.0 -0.844 360.0 360.0 -89.7 122.9 16.9 16.4 63.3 88 91 A R 0 0 147 -52,-3.1 -50,-0.3 -2,-0.6 -68,-0.0 -0.571 360.0 360.0-116.1 360.0 20.5 15.5 64.1