==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-11 3R3R . COMPND 2 MOLECULE: FERRIPYOCHELIN BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,S.N.PETERSON,W.F.ANDERS . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 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 . 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 . 19 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 13 3 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 0 0 1 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 -2 A S 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.4 -6.0 -11.6 -32.0 2 -1 A N + 0 0 177 1,-0.1 3,-0.0 3,-0.0 0, 0.0 0.734 360.0 18.9 -79.4 -24.9 -3.0 -12.5 -34.1 3 0 A A S S+ 0 0 94 1,-0.0 2,-0.6 0, 0.0 -1,-0.1 0.642 101.1 95.2-115.6 -26.4 -4.2 -10.9 -37.4 4 1 A M + 0 0 52 1,-0.2 5,-0.0 2,-0.0 -1,-0.0 -0.578 37.4 159.1 -74.1 114.3 -6.9 -8.5 -36.1 5 2 A S + 0 0 100 -2,-0.6 -1,-0.2 3,-0.1 4,-0.1 0.277 26.9 125.6-121.3 8.4 -5.3 -5.0 -35.7 6 3 A D - 0 0 95 1,-0.1 24,-0.1 2,-0.1 3,-0.1 -0.278 63.8-130.2 -65.6 154.0 -8.4 -2.8 -35.8 7 4 A T S S+ 0 0 39 1,-0.2 23,-2.9 22,-0.1 2,-0.5 0.909 102.6 47.8 -67.6 -44.9 -9.0 -0.3 -32.9 8 5 A L E S-a 30 0A 48 21,-0.2 23,-0.2 16,-0.1 -1,-0.2 -0.888 83.4-179.3 -99.9 127.6 -12.6 -1.6 -32.7 9 6 A R E -a 31 0A 46 21,-2.6 23,-2.8 -2,-0.5 2,-0.2 -0.921 22.1-120.6-134.2 151.7 -12.8 -5.4 -32.7 10 7 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.478 11.1-167.2 -85.1 156.8 -15.4 -8.2 -32.5 11 8 A Y B > S-L 14 0B 81 3,-1.8 3,-2.7 -2,-0.2 22,-0.0 -0.925 71.4 -50.2-136.3 122.3 -15.9 -10.9 -30.0 12 9 A K T 3 S- 0 0 159 -2,-0.3 20,-0.1 1,-0.3 -1,-0.0 -0.356 123.9 -23.3 45.3-120.6 -18.2 -13.6 -31.3 13 10 A N T 3 S+ 0 0 168 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.245 116.8 105.3 -99.2 11.6 -21.3 -11.5 -32.5 14 11 A L B < +L 11 0B 62 -3,-2.7 -3,-1.8 37,-0.0 18,-0.3 -0.707 40.2 167.4 -94.7 144.8 -20.5 -8.5 -30.2 15 12 A F - 0 0 111 -2,-0.3 16,-0.1 -5,-0.2 -2,-0.0 -0.986 42.2 -84.8-153.3 149.9 -19.1 -5.3 -31.5 16 13 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 19,-0.2 -0.258 32.4-145.5 -63.8 145.9 -18.7 -1.8 -30.0 17 14 A G E -b 35 0A 39 17,-2.4 19,-3.0 20,-0.0 2,-0.4 -0.964 19.7-164.5-110.4 125.6 -21.6 0.6 -30.1 18 15 A I E -b 36 0A 66 -2,-0.5 19,-0.2 17,-0.2 20,-0.1 -0.926 7.1-160.3-123.7 128.0 -20.5 4.3 -30.5 19 16 A G > - 0 0 23 17,-2.2 3,-0.5 -2,-0.4 2,-0.3 0.193 44.2 -53.0 -82.1-152.2 -22.4 7.5 -29.9 20 17 A Q T 3 S+ 0 0 126 1,-0.2 19,-2.6 0, 0.0 20,-0.2 -0.664 112.3 7.3 -96.9 148.1 -21.6 11.0 -31.2 21 18 A R T 3 S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.840 84.6 160.6 56.9 37.4 -18.4 12.9 -30.9 22 19 A V < - 0 0 22 -3,-0.5 2,-0.5 17,-0.1 -1,-0.2 -0.763 29.0-152.5 -89.4 131.6 -16.6 9.9 -29.4 23 20 A M E +m 41 0C 12 17,-2.3 19,-2.9 -2,-0.4 2,-0.5 -0.923 15.9 176.3-100.2 126.4 -12.8 9.8 -29.5 24 21 A I E -m 42 0C 36 -2,-0.5 19,-0.2 17,-0.2 -17,-0.1 -0.946 32.4-126.4-124.5 110.5 -11.1 6.4 -29.5 25 22 A D > - 0 0 42 17,-2.3 3,-2.0 -2,-0.5 21,-0.1 -0.225 13.2-127.0 -56.9 142.8 -7.4 6.8 -29.8 26 23 A T T 3 S+ 0 0 124 1,-0.3 -1,-0.2 3,-0.0 17,-0.1 0.725 109.8 57.2 -61.4 -22.7 -5.9 4.8 -32.7 27 24 A S T 3 S+ 0 0 49 2,-0.0 -1,-0.3 -20,-0.0 2,-0.1 0.465 93.0 90.7 -88.4 -2.2 -3.5 3.2 -30.3 28 25 A S < - 0 0 2 -3,-2.0 2,-0.4 17,-0.2 19,-0.2 -0.437 67.8-138.1 -95.6 167.5 -6.3 1.8 -28.1 29 26 A V E + c 0 47A 32 17,-2.6 19,-2.8 -2,-0.1 2,-0.5 -0.982 18.3 179.3-134.6 115.9 -8.1 -1.5 -28.3 30 27 A V E -ac 8 48A 0 -23,-2.9 -21,-2.6 -2,-0.4 2,-0.4 -0.971 13.1-174.3-126.3 113.6 -11.8 -1.8 -27.8 31 28 A I E -ac 9 49A 22 17,-2.7 19,-2.9 -2,-0.5 2,-0.1 -0.904 37.0 -30.8-119.6 132.9 -13.3 -5.3 -28.1 32 29 A G E S+ c 0 50A 0 -23,-2.8 2,-1.9 -2,-0.4 19,-0.2 -0.402 113.3 12.8 80.0-140.3 -16.8 -6.7 -28.1 33 30 A D E S+ 0 0 35 17,-2.6 22,-2.5 20,-0.2 2,-0.5 -0.537 77.0 145.5 -87.4 76.5 -19.8 -5.4 -26.3 34 31 A V E - c 0 55A 0 -2,-1.9 -17,-2.4 20,-0.2 2,-0.6 -0.977 31.4-161.5-116.1 120.3 -18.5 -2.0 -25.3 35 32 A R E -bc 17 56A 109 20,-2.9 22,-2.9 -2,-0.5 2,-0.6 -0.912 6.6-171.4-110.6 110.2 -21.2 0.7 -25.4 36 33 A L E -bc 18 57A 5 -19,-3.0 -17,-2.2 -2,-0.6 22,-0.2 -0.920 10.6-150.3-111.1 115.1 -19.7 4.3 -25.5 37 34 A A > - 0 0 34 20,-2.4 3,-1.4 -2,-0.6 -18,-0.2 -0.128 41.8 -56.3 -74.5 173.2 -22.1 7.1 -25.1 38 35 A D T 3 S+ 0 0 66 1,-0.2 22,-2.2 21,-0.1 23,-0.3 -0.174 119.7 11.8 -50.7 141.5 -21.9 10.6 -26.6 39 36 A D T 3 S+ 0 0 19 -19,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.604 84.0 151.7 67.7 14.3 -18.7 12.6 -25.9 40 37 A V < - 0 0 0 -3,-1.4 -17,-2.3 -20,-0.2 2,-0.5 -0.539 30.9-154.2 -70.7 140.1 -16.7 9.7 -24.4 41 38 A G E -mn 23 62C 2 20,-2.0 22,-2.8 -19,-0.2 2,-0.6 -0.983 9.9-168.3-120.7 122.8 -13.0 10.0 -24.8 42 39 A I E -mn 24 63C 0 -19,-2.9 -17,-2.3 -2,-0.5 22,-0.2 -0.948 21.0-153.7-109.1 112.6 -10.8 6.9 -24.8 43 40 A W > - 0 0 16 20,-2.5 3,-0.6 -2,-0.6 23,-0.2 -0.101 33.7 -53.3 -85.2 178.2 -7.2 8.1 -24.6 44 41 A P T 3 S+ 0 0 39 0, 0.0 22,-1.8 0, 0.0 23,-0.2 -0.152 113.5 8.1 -61.2 149.5 -3.9 6.4 -25.8 45 42 A L T 3 S+ 0 0 124 20,-0.2 2,-0.4 1,-0.2 -17,-0.2 0.868 86.9 145.9 53.0 46.9 -3.0 2.8 -25.0 46 43 A V < - 0 0 1 -3,-0.6 -17,-2.6 20,-0.2 2,-0.5 -0.883 35.3-154.6-105.3 143.7 -6.2 1.9 -23.3 47 44 A V E +cd 29 68A 49 20,-2.1 22,-2.5 -2,-0.4 2,-0.5 -0.983 12.2 179.0-114.5 129.0 -7.8 -1.6 -23.4 48 45 A I E -cd 30 69A 0 -19,-2.8 -17,-2.7 -2,-0.5 2,-0.7 -0.963 8.8-175.0-125.0 111.1 -11.5 -2.0 -23.0 49 46 A R E +c 31 0A 97 20,-2.6 2,-0.6 -2,-0.5 22,-0.2 -0.875 14.4 169.6-117.4 97.6 -12.4 -5.7 -23.4 50 47 A G E +c 32 0A 0 -19,-2.9 -17,-2.6 -2,-0.7 5,-0.2 -0.476 40.3 115.5-101.4 58.4 -16.1 -6.5 -23.3 51 48 A D E S+ 0 0 21 -2,-0.6 -1,-0.2 -19,-0.2 -40,-0.1 0.944 79.1 28.7 -92.7 -59.2 -16.0 -10.1 -24.3 52 49 A V E S+ 0 0 48 -3,-0.2 22,-0.5 19,-0.2 2,-0.3 0.519 139.0 4.6 -83.2 -6.7 -17.2 -12.3 -21.5 53 50 A N E S- 0 0 10 20,-0.1 -20,-0.2 -4,-0.1 2,-0.1 -0.956 88.9 -88.7-163.2 169.5 -19.4 -9.5 -20.3 54 51 A Y E - 0 0 63 -2,-0.3 30,-2.3 -22,-0.1 2,-0.4 -0.467 21.4-151.5 -89.0 160.2 -20.5 -6.0 -21.4 55 52 A V E -ce 34 84A 0 -22,-2.5 -20,-2.9 28,-0.2 2,-0.5 -1.000 11.9-171.5-125.5 124.6 -19.0 -2.6 -20.7 56 53 A A E -ce 35 85A 24 28,-2.7 30,-2.8 -2,-0.4 2,-0.5 -0.989 0.7-172.1-121.4 124.6 -21.2 0.5 -20.7 57 54 A I E -ce 36 86A 3 -22,-2.9 -20,-2.4 -2,-0.5 30,-0.2 -0.977 17.4-135.7-123.0 120.5 -19.7 3.9 -20.4 58 55 A G > - 0 0 14 28,-2.1 3,-0.9 29,-0.7 32,-0.2 -0.121 37.7 -65.8 -76.1 170.2 -22.0 7.0 -20.0 59 56 A A T 3 S+ 0 0 9 1,-0.2 30,-2.3 29,-0.1 31,-0.2 -0.121 112.3 10.8 -60.9 143.3 -21.8 10.3 -21.7 60 57 A R T 3 S+ 0 0 77 -22,-2.2 2,-0.4 1,-0.2 -1,-0.2 0.752 89.4 143.1 65.6 27.9 -18.9 12.8 -21.3 61 58 A T < - 0 0 2 -3,-0.9 -20,-2.0 -23,-0.3 2,-0.4 -0.824 38.1-149.5-101.8 136.7 -16.8 10.2 -19.5 62 59 A N E -no 41 91C 3 28,-2.3 30,-2.6 -2,-0.4 2,-0.6 -0.893 7.4-163.5-106.1 136.1 -13.0 10.0 -20.1 63 60 A I E -no 42 92C 0 -22,-2.8 -20,-2.5 -2,-0.4 30,-0.1 -0.953 29.5-141.2-115.0 106.1 -11.0 6.9 -19.8 64 61 A Q > - 0 0 12 28,-2.6 3,-1.6 -2,-0.6 31,-0.3 -0.144 28.9 -63.0 -82.4 168.6 -7.4 8.0 -19.5 65 62 A D T 3 S+ 0 0 52 1,-0.2 30,-2.5 29,-0.2 -20,-0.2 -0.010 114.1 11.4 -53.8 136.6 -4.1 6.8 -20.9 66 63 A G T 3 S+ 0 0 30 -22,-1.8 -1,-0.2 1,-0.2 -20,-0.2 0.499 88.1 142.7 79.5 4.4 -2.9 3.3 -20.0 67 64 A S < - 0 0 0 -3,-1.6 -20,-2.1 -23,-0.2 2,-0.4 -0.389 36.7-153.0 -74.3 155.3 -6.1 2.1 -18.3 68 65 A V E -df 47 97A 56 28,-2.4 30,-2.4 -22,-0.2 2,-0.5 -0.997 8.6-170.5-130.2 130.4 -7.5 -1.4 -18.6 69 66 A L E +df 48 98A 0 -22,-2.5 -20,-2.6 -2,-0.4 2,-0.2 -0.981 18.9 151.1-122.6 121.8 -11.2 -2.2 -18.3 70 67 A H E - f 0 99A 27 28,-2.4 30,-2.3 -2,-0.5 2,-0.3 -0.795 24.5-144.8-143.8-174.0 -12.4 -5.8 -18.1 71 68 A V - 0 0 2 28,-0.3 2,-0.4 -22,-0.2 -19,-0.2 -0.900 22.5-102.6-151.2 162.3 -15.2 -7.9 -16.6 72 69 A T B -T 82 0D 34 10,-1.9 10,-2.1 -2,-0.3 27,-0.0 -0.845 39.8-116.1-103.5 137.9 -16.0 -11.3 -15.1 73 70 A H - 0 0 101 -2,-0.4 2,-0.4 8,-0.2 -20,-0.1 -0.111 28.3-101.7 -67.1 165.5 -17.7 -14.1 -17.1 74 71 A K + 0 0 126 -22,-0.5 2,-0.3 7,-0.1 -1,-0.1 -0.729 52.1 151.2 -93.1 133.9 -21.1 -15.6 -16.5 75 72 A S B > -U 78 0E 41 3,-1.8 3,-1.5 -2,-0.4 0, 0.0 -0.919 58.9 -84.8-154.6 175.5 -21.2 -19.0 -14.8 76 73 A S T 3 S+ 0 0 125 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.823 127.0 45.9 -60.6 -35.1 -23.4 -21.2 -12.6 77 74 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.543 131.1 23.5 -80.2 -10.4 -22.1 -19.6 -9.3 78 75 A N B < U 75 0E 52 -3,-1.5 -3,-1.8 1,-0.1 -1,-0.3 -0.517 360.0 360.0-155.1 74.0 -22.5 -16.1 -10.9 79 76 A P 0 0 123 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 0.740 360.0 360.0 -61.4 360.0 -25.1 -16.2 -13.7 80 ! 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 81 78 A G 0 0 19 0, 0.0 -8,-0.2 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0-156.0 -21.1 -12.3 -14.1 82 79 A N B -T 72 0D 26 -10,-2.1 -10,-1.9 -4,-0.0 18,-0.2 -0.842 360.0-171.2-131.1 96.4 -19.7 -8.9 -13.4 83 80 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 35,-0.3 -0.286 27.5-113.3 -74.9 172.8 -20.2 -6.4 -16.2 84 81 A L E -e 55 0A 0 -30,-2.3 -28,-2.7 16,-0.2 2,-0.5 -0.954 33.9-177.6-114.5 117.8 -18.6 -2.9 -16.0 85 82 A I E +eg 56 102A 57 16,-2.4 18,-2.9 -2,-0.6 2,-0.4 -0.973 2.3 178.2-122.2 121.8 -21.0 -0.0 -15.7 86 83 A I E -eg 57 103A 5 -30,-2.8 -28,-2.1 -2,-0.5 18,-0.2 -0.991 15.6-143.9-128.5 132.6 -19.7 3.5 -15.7 87 84 A G - 0 0 13 16,-1.4 -29,-0.7 17,-0.9 3,-0.4 0.266 33.0 -62.8 -80.6-158.4 -21.9 6.6 -15.5 88 85 A E S S+ 0 0 84 1,-0.2 18,-2.5 -31,-0.1 -28,-0.2 -0.600 108.4 15.1 -92.9 150.6 -21.8 10.1 -17.0 89 86 A D S S+ 0 0 9 -30,-2.3 2,-0.4 -2,-0.2 79,-0.3 0.844 86.2 156.1 57.4 36.3 -19.1 12.9 -16.4 90 87 A V - 0 0 0 -3,-0.4 -28,-2.3 -31,-0.2 2,-0.6 -0.771 35.7-151.0 -94.9 140.2 -16.7 10.3 -14.9 91 88 A T E -op 62 108C 4 16,-2.8 18,-3.0 -2,-0.4 2,-0.8 -0.942 8.8-169.9-110.1 104.8 -13.0 10.8 -14.9 92 89 A V E -op 63 109C 0 -30,-2.6 -28,-2.6 -2,-0.6 18,-0.1 -0.889 26.1-135.1 -93.4 110.3 -11.1 7.5 -15.0 93 90 A G > - 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