==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 17-APR-12 4EPA . COMPND 2 MOLECULE: PESTICIN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR P.LUKACIK,T.J.BARNARD,S.K.BUCHANAN . 632 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 342 54.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 *** . 1 0 0 1 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 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 11 5 2 2 2 1 3 4 1 2 2 4 2 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 13 A T 0 0 122 0, 0.0 6,-0.1 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 -30.1 74.3 77.4 111.8 2 14 A A + 0 0 5 10,-0.0 97,-0.1 96,-0.0 76,-0.0 -0.164 360.0 90.0-125.5 31.0 74.2 78.6 115.4 3 15 A S S S- 0 0 2 2,-0.3 8,-0.1 3,-0.0 3,-0.1 0.211 98.5-127.3 -97.9 5.5 77.7 80.0 114.9 4 16 A K S S+ 0 0 17 1,-0.2 2,-0.2 7,-0.0 8,-0.0 0.562 80.2 64.0 56.5 13.4 75.9 83.2 113.8 5 17 A Q S S- 0 0 20 1,-0.2 -2,-0.3 306,-0.1 -1,-0.2 -0.740 93.0 -31.2-150.4-167.7 78.1 83.1 110.6 6 18 A S > - 0 0 16 295,-0.3 3,-1.0 -2,-0.2 -1,-0.2 -0.005 48.1-120.7 -58.7 157.8 78.9 81.3 107.4 7 19 A S T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -6,-0.1 295,-0.0 0.681 114.8 49.5 -63.9 -19.9 78.8 77.4 107.0 8 20 A R T 3 S+ 0 0 67 4,-0.0 -1,-0.2 5,-0.0 301,-0.1 0.476 87.5 119.1-100.0 -7.1 82.5 77.6 106.2 9 21 A S S <> S- 0 0 0 -3,-1.0 4,-1.3 1,-0.1 5,-0.3 0.106 74.2-110.4 -66.3 172.2 83.8 79.7 109.0 10 22 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.945 118.1 50.2 -61.1 -51.9 86.3 79.1 111.7 11 23 A S H 4 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.2 -7,-0.0 0.653 110.1 50.6 -65.5 -19.2 83.7 79.0 114.4 12 24 A A H 4 S+ 0 0 23 -3,-0.2 -1,-0.2 -6,-0.1 3,-0.2 0.803 125.3 22.6 -86.4 -30.7 81.5 76.6 112.5 13 25 A N H < S+ 0 0 36 -4,-1.3 2,-1.3 -3,-0.4 -2,-0.2 0.751 110.5 64.3-112.7 -32.4 84.1 74.0 111.8 14 26 A N S < S+ 0 0 0 -4,-3.2 2,-0.3 -5,-0.3 -1,-0.2 -0.428 96.5 77.3 -90.4 60.0 86.9 74.4 114.3 15 27 A V S S- 0 0 2 -2,-1.3 2,-0.8 -3,-0.2 86,-0.1 -0.977 83.7-112.7-164.4 146.2 84.6 73.4 117.2 16 28 A S + 0 0 3 84,-0.4 84,-2.7 -2,-0.3 2,-0.3 -0.836 52.6 158.0 -91.4 113.3 82.9 70.3 118.7 17 29 A S E -A 99 0A 21 -2,-0.8 2,-0.3 82,-0.2 82,-0.2 -0.862 27.4-159.2-130.0 163.7 79.2 70.7 118.0 18 30 A T E -A 98 0A 8 80,-1.7 80,-2.8 -2,-0.3 2,-0.4 -0.979 5.4-162.7-145.2 135.7 76.2 68.4 117.7 19 31 A V E -A 97 0A 70 -2,-0.3 2,-0.4 78,-0.2 78,-0.2 -0.964 2.7-168.5-122.8 139.2 72.9 69.1 116.0 20 32 A V E -A 96 0A 8 76,-2.2 76,-2.4 -2,-0.4 2,-0.1 -0.992 15.1-137.6-131.8 132.0 69.7 67.2 116.6 21 33 A S E > -A 95 0A 41 -2,-0.4 4,-1.7 74,-0.2 3,-0.3 -0.441 26.8-104.0 -92.2 163.7 66.6 67.5 114.4 22 34 A A H > S+ 0 0 28 72,-2.0 4,-1.5 1,-0.2 5,-0.1 0.846 119.1 49.6 -57.1 -44.0 63.0 67.7 115.4 23 35 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 108.6 53.1 -63.9 -38.0 62.1 64.1 114.5 24 36 A E H > S+ 0 0 63 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.864 104.6 56.5 -62.8 -35.6 65.1 62.7 116.4 25 37 A L H <>S+ 0 0 3 -4,-1.7 5,-3.1 2,-0.2 -1,-0.2 0.910 109.5 45.3 -62.5 -42.3 64.0 64.7 119.5 26 38 A S H ><5S+ 0 0 76 -4,-1.5 3,-1.6 3,-0.2 -2,-0.2 0.913 107.7 56.9 -66.1 -45.5 60.6 62.9 119.3 27 39 A D H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.4 42.4 -55.0 -35.9 62.1 59.5 118.8 28 40 A A T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.407 114.5-117.0 -90.7 -0.0 64.1 60.0 122.0 29 41 A G T < 5 + 0 0 26 -3,-1.6 2,-1.6 1,-0.2 -3,-0.2 0.805 53.3 163.6 69.1 29.7 61.1 61.4 123.9 30 42 A V < + 0 0 10 -5,-3.1 -1,-0.2 1,-0.2 -2,-0.1 -0.663 7.8 151.5 -83.4 91.9 62.8 64.8 124.4 31 43 A T + 0 0 25 -2,-1.6 59,-1.4 -3,-0.1 2,-0.3 0.394 62.5 27.4 -99.5 -1.0 59.7 66.7 125.3 32 44 A A B > S-E 89 0B 11 57,-0.3 3,-2.0 -3,-0.1 57,-0.2 -0.982 87.0 -98.7-161.5 154.7 61.5 69.2 127.5 33 45 A S G > S+ 0 0 2 55,-2.8 3,-2.2 1,-0.3 54,-0.1 0.833 113.9 62.2 -44.7 -48.2 64.9 70.9 128.0 34 46 A D G 3 S+ 0 0 54 1,-0.3 -1,-0.3 54,-0.3 11,-0.2 0.290 97.1 58.6 -71.2 5.9 66.0 68.7 130.8 35 47 A K G X S+ 0 0 59 -3,-2.0 3,-1.7 1,-0.1 -1,-0.3 0.315 71.6 101.4-113.9 5.5 65.9 65.6 128.6 36 48 A L G X> + 0 0 1 -3,-2.2 3,-2.6 1,-0.3 4,-2.1 0.800 64.7 76.7 -59.7 -29.5 68.4 66.9 126.0 37 49 A P G 34 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 6,-0.2 0.870 82.4 68.4 -49.2 -32.9 71.0 64.7 127.6 38 50 A R G <4 S+ 0 0 74 -3,-1.7 -2,-0.2 1,-0.2 -8,-0.0 0.703 118.6 19.6 -57.7 -21.3 69.4 61.8 125.8 39 51 A V T <4 S+ 0 0 24 -3,-2.6 -1,-0.2 -4,-0.2 -3,-0.1 0.455 114.4 70.8-127.9 -8.5 70.5 63.3 122.5 40 52 A L S >< S- 0 0 1 -4,-2.1 3,-1.8 3,-0.1 -1,-0.1 -0.852 78.6-139.4-114.5 94.5 73.4 65.7 123.4 41 53 A P T 3 S+ 0 0 23 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.232 83.2 20.5 -54.0 137.3 76.5 63.7 124.5 42 54 A G T 3 S+ 0 0 19 1,-0.3 17,-0.5 -5,-0.1 2,-0.4 0.274 93.5 122.8 91.6 -9.3 78.4 65.0 127.5 43 55 A L < - 0 0 6 -3,-1.8 2,-0.4 -6,-0.2 -1,-0.3 -0.721 37.9-174.3 -93.0 133.3 75.5 67.1 128.7 44 56 A N B +F 57 0C 42 13,-2.1 13,-2.3 -2,-0.4 2,-0.4 -0.993 6.5 172.8-125.7 121.8 74.2 66.6 132.2 45 57 A I + 0 0 8 -2,-0.4 2,-0.3 11,-0.2 11,-0.1 -0.997 7.0 156.1-124.8 134.8 71.1 68.5 133.4 46 58 A E - 0 0 56 -2,-0.4 9,-1.6 4,-0.0 2,-0.3 -0.970 44.1-103.3-146.3 154.8 69.3 67.9 136.8 47 59 A N B -G 54 0D 23 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.619 23.2-150.6 -73.1 136.2 67.1 70.0 139.0 48 60 A S S S- 0 0 5 5,-2.7 2,-1.1 2,-0.4 5,-0.1 -0.845 85.1 -31.7-105.6 91.7 68.8 71.4 142.0 49 61 A G S S- 0 0 3 -2,-0.8 170,-0.3 170,-0.1 2,-0.3 -0.423 132.2 -18.9 92.4 -58.8 65.9 71.5 144.4 50 62 A N S > S- 0 0 0 -2,-1.1 3,-3.3 3,-0.4 -2,-0.4 -0.931 83.2 -65.7-171.7 159.0 63.5 72.2 141.5 51 63 A X T 3 S+ 0 0 16 1,-0.3 36,-0.5 -2,-0.3 35,-0.2 0.468 116.0 64.3 0.0 -52.5 62.8 73.3 138.0 52 64 A L T 3 S+ 0 0 1 1,-0.2 2,-0.5 34,-0.1 -1,-0.3 0.751 104.7 47.5 -65.1 -26.3 63.9 76.9 138.5 53 65 A F S < S- 0 0 14 -3,-3.3 -5,-2.7 -5,-0.1 -3,-0.4 -0.967 70.7-170.9-124.2 118.3 67.4 76.0 139.2 54 66 A S B -G 47 0D 5 -2,-0.5 -7,-0.2 13,-0.4 -9,-0.1 -0.528 23.0-147.2 -96.0 168.5 69.3 73.6 137.0 55 67 A T + 0 0 4 -9,-1.6 -8,-0.1 -2,-0.2 2,-0.1 -0.434 35.8 174.1-125.8 51.6 72.7 72.0 137.6 56 68 A I + 0 0 3 -11,-0.1 15,-0.5 16,-0.1 7,-0.4 -0.372 2.8 172.9 -64.1 136.9 73.6 72.0 134.0 57 69 A S B +F 44 0C 3 -13,-2.3 -13,-2.1 5,-0.1 2,-0.3 -0.993 13.3 169.3-152.5 149.0 77.2 70.9 133.3 58 70 A L B > +H 61 0E 2 3,-1.5 3,-0.8 -2,-0.3 -15,-0.1 -0.948 69.5 10.3-163.9 130.2 79.3 70.1 130.3 59 71 A R T 3 S- 0 0 6 -17,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.910 126.1 -66.4 60.7 40.2 83.1 69.4 129.7 60 72 A G T 3 S+ 0 0 3 -18,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.747 106.9 124.3 52.6 28.5 83.5 69.3 133.5 61 73 A V B < +H 58 0E 5 -3,-0.8 -3,-1.5 467,-0.1 2,-0.3 -0.968 41.0 173.4-111.3 133.5 82.6 73.0 133.9 62 74 A S - 0 0 12 -2,-0.4 -5,-0.1 -5,-0.2 3,-0.1 -0.870 42.3-110.2-150.8-171.6 79.7 73.5 136.3 63 75 A S + 0 0 1 -7,-0.4 6,-0.2 1,-0.3 3,-0.1 0.587 47.3 178.8 -66.5 -45.0 77.4 75.7 138.3 64 76 A A - 0 0 11 1,-0.2 -1,-0.3 463,-0.1 410,-0.1 -0.345 55.0 -17.6-105.3 -60.5 78.4 75.0 141.1 65 77 A Q S S+ 0 0 57 408,-0.3 2,-0.6 -3,-0.1 -1,-0.2 0.752 121.8 72.5 -77.4 -27.6 77.1 76.5 144.4 66 78 A D > + 0 0 10 407,-0.4 3,-0.5 3,-0.1 -1,-0.1 -0.809 55.3 178.1 -99.5 115.0 75.4 79.4 142.4 67 79 A F T 3 S+ 0 0 41 -2,-0.6 -13,-0.4 1,-0.2 -1,-0.1 0.482 70.7 69.3-100.6 -4.5 72.3 78.5 140.4 68 80 A Y T 3 S+ 0 0 30 1,-0.2 15,-0.2 -15,-0.1 -1,-0.2 0.514 104.0 46.7 -84.4 -7.5 71.3 81.8 139.0 69 81 A N S < S- 0 0 29 -3,-0.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.779 79.5-171.2-134.7 94.7 74.4 81.8 136.7 70 82 A P - 0 0 6 0, 0.0 42,-0.2 0, 0.0 -13,-0.1 -0.147 30.4-126.8 -80.4 175.0 75.0 78.5 134.9 71 83 A A S S+ 0 0 0 -15,-0.5 42,-1.9 1,-0.1 41,-1.6 0.709 100.0 45.9 -92.0 -27.9 78.0 77.4 132.9 72 84 A V E S-b 114 0A 2 41,-0.2 2,-0.4 -16,-0.2 43,-0.2 -0.956 78.5-156.2-110.3 136.8 75.9 76.5 129.8 73 85 A T E -b 115 0A 17 41,-0.8 43,-2.0 -2,-0.4 2,-0.6 -0.910 10.9-134.0-116.9 145.4 73.2 78.9 128.7 74 86 A L E -b 116 0A 6 -2,-0.4 7,-2.4 41,-0.2 2,-0.4 -0.854 22.8-174.3 -97.2 119.0 70.1 78.2 126.7 75 87 A Y E -bC 117 80A 4 41,-2.9 43,-2.0 -2,-0.6 2,-0.5 -0.916 11.9-156.0-110.2 139.8 69.5 80.5 123.8 76 88 A V E > S-bC 118 79A 25 3,-2.4 3,-0.7 -2,-0.4 43,-0.2 -0.910 85.8 -16.8-119.4 106.3 66.3 80.3 121.7 77 89 A D T 3 S- 0 0 60 41,-2.4 -1,-0.2 -2,-0.5 42,-0.1 0.866 131.6 -53.5 58.5 43.9 66.8 81.7 118.3 78 90 A G T 3 S+ 0 0 9 40,-0.3 -1,-0.2 1,-0.2 41,-0.1 0.365 112.3 124.8 79.9 -6.0 69.9 83.4 119.7 79 91 A V E < -C 76 0A 7 -3,-0.7 -3,-2.4 187,-0.0 -1,-0.2 -0.767 62.4-126.3 -89.2 120.5 67.9 85.0 122.6 80 92 A P E -C 75 0A 4 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.379 23.6-135.4 -66.3 140.3 69.3 84.1 126.0 81 93 A Q - 0 0 27 -7,-2.4 2,-0.2 1,-0.1 5,-0.1 -0.440 26.2 -94.6 -85.8 163.1 66.8 82.6 128.3 82 94 A L > - 0 0 4 1,-0.1 3,-1.7 -2,-0.1 -1,-0.1 -0.528 34.4-122.8 -68.4 147.1 66.3 83.6 132.0 83 95 A S G > S+ 0 0 19 1,-0.3 3,-1.3 -15,-0.2 4,-0.3 0.899 114.2 56.3 -58.6 -40.5 68.3 81.2 134.1 84 96 A T G 3 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.1 -31,-0.1 0.347 107.1 50.2 -73.8 4.0 65.1 80.3 135.9 85 97 A N G < S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 -0.002 75.6 104.8-128.3 25.9 63.5 79.3 132.6 86 98 A T S < S+ 0 0 11 -3,-1.3 2,-1.1 -34,-0.2 -2,-0.1 0.881 73.4 61.0 -74.0 -39.7 66.2 77.0 131.4 87 99 A I S S+ 0 0 8 -36,-0.5 2,-0.3 -4,-0.3 -1,-0.2 -0.812 80.4 139.7 -90.4 100.0 64.2 73.9 132.1 88 100 A Q - 0 0 27 -2,-1.1 -55,-2.8 -3,-0.1 -54,-0.3 -0.811 57.4 -91.6-132.5 168.7 61.2 74.6 129.9 89 101 A A B -E 32 0B 13 -2,-0.3 2,-0.6 -57,-0.2 -57,-0.3 -0.595 37.2-122.2 -79.4 148.7 59.0 72.5 127.6 90 102 A L + 0 0 5 -59,-1.4 -1,-0.0 -2,-0.2 3,-0.0 -0.863 36.0 175.7 -90.2 123.3 60.0 72.3 123.9 91 103 A T - 0 0 17 -2,-0.6 -1,-0.2 1,-0.1 71,-0.1 0.870 66.1 -7.9-105.9 -43.5 57.1 73.6 122.0 92 104 A D S S+ 0 0 3 69,-0.1 29,-1.6 54,-0.0 2,-0.3 -0.332 77.7 168.5-153.6 66.7 57.9 73.8 118.3 93 105 A V E - D 0 120A 17 27,-0.2 27,-0.2 1,-0.1 3,-0.1 -0.582 25.6-173.7 -90.1 139.8 61.5 73.1 117.7 94 106 A Q E S- 0 0 103 25,-2.6 -72,-2.0 1,-0.4 2,-0.3 0.768 74.8 -21.7 -91.1 -37.9 63.1 72.5 114.4 95 107 A S E -AD 21 119A 20 24,-1.2 24,-2.7 -74,-0.3 2,-0.4 -0.975 50.8-137.3-163.6 157.3 66.5 71.6 115.8 96 108 A V E -AD 20 118A 0 -76,-2.4 -76,-2.2 -2,-0.3 2,-0.4 -0.998 20.4-165.4-123.3 133.0 68.8 72.0 118.9 97 109 A E E -AD 19 117A 7 20,-2.3 20,-2.9 -2,-0.4 2,-0.5 -0.933 1.5-160.5-119.2 138.7 72.4 72.7 118.4 98 110 A L E -AD 18 116A 0 -80,-2.8 -80,-1.7 -2,-0.4 2,-0.5 -0.980 2.5-163.4-120.5 129.1 75.0 72.3 121.1 99 111 A L E -AD 17 115A 5 16,-2.8 16,-1.6 -2,-0.5 -82,-0.2 -0.954 13.2-151.8-111.1 123.6 78.4 74.0 121.0 100 112 A R E + D 0 114A 4 -84,-2.7 -84,-0.4 -2,-0.5 14,-0.2 -0.559 58.3 37.6 -91.0 156.3 81.0 72.6 123.4 101 113 A G S 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