==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 25-APR-06 2GRX . COMPND 2 MOLECULE: FERRICHROME-IRON RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.D.PAWELEK,M.ALLAIRE,J.W.COULTON . 1549 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1048 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 680 43.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 132 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 6 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 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 . 9 12 6 6 12 2 4 0 10 2 8 4 4 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 8 A T 0 0 120 0, 0.0 1465,-0.2 0, 0.0 1463,-0.0 0.000 360.0 360.0 360.0-104.4 33.6 4.7 -29.7 2 9 A I - 0 0 67 1463,-1.0 2,-0.3 1466,-0.0 1463,-0.0 0.184 360.0-153.1 -81.9-157.4 31.6 7.1 -27.5 3 10 A T - 0 0 66 1465,-0.0 2,-0.3 2,-0.0 1465,-0.2 -0.937 11.8-158.0-176.2 155.3 33.0 9.9 -25.3 4 11 A V E -a 1468 0A 25 1463,-0.8 1465,-1.9 -2,-0.3 2,-0.3 -0.833 11.7-153.3-133.6 171.0 32.4 12.1 -22.2 5 12 A T E -a 1469 0A 57 -2,-0.3 1465,-0.2 1463,-0.2 2,-0.2 -0.965 6.1-149.1-154.5 135.5 33.7 15.5 -21.1 6 13 A A E -a 1470 0A 9 1463,-2.0 1465,-0.9 -2,-0.3 1396,-0.1 -0.527 7.6-160.7-105.9 169.7 34.4 17.3 -17.7 7 14 A A - 0 0 60 -2,-0.2 1396,-0.2 1463,-0.1 1465,-0.1 -0.736 11.3-111.1-136.9-177.2 34.4 20.9 -16.2 8 15 A P + 0 0 37 0, 0.0 -1,-0.1 0, 0.0 1464,-0.0 -0.352 38.6 131.9-111.8-169.2 35.5 23.2 -13.2 9 16 A A - 0 0 84 1399,-0.2 1399,-0.0 -2,-0.1 -2,-0.0 0.634 43.1-147.1 117.7 84.6 34.7 25.3 -10.1 10 17 A P + 0 0 92 0, 0.0 1399,-0.0 0, 0.0 1395,-0.0 0.509 27.2 162.9 -54.7-177.4 37.0 24.7 -6.9 11 18 A Q - 0 0 186 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.093 15.2-159.9 148.5 101.2 37.1 24.7 -3.0 12 19 A E - 0 0 34 4,-0.0 2,-0.3 1,-0.0 6,-0.1 -0.568 15.3-129.2 -96.3 158.7 39.6 23.2 -0.4 13 20 A S - 0 0 43 4,-0.6 12,-0.3 -2,-0.2 11,-0.2 -0.759 9.1-140.7-107.8 153.1 39.1 22.3 3.3 14 21 A A S S+ 0 0 2 -2,-0.3 13,-0.3 1,-0.2 -1,-0.1 0.769 110.8 35.2 -77.7 -25.5 41.2 23.2 6.3 15 22 A W S S+ 0 0 64 11,-0.1 -1,-0.2 2,-0.1 133,-0.1 0.451 111.5 73.0-105.0 -6.8 40.6 19.7 7.7 16 23 A G S S- 0 0 17 1,-0.2 2,-0.1 131,-0.1 129,-0.1 -0.244 98.1 -74.1 -95.2-170.6 40.7 17.9 4.4 17 24 A P - 0 0 70 0, 0.0 -4,-0.6 0, 0.0 2,-0.3 -0.436 50.7-110.5 -81.6 161.9 43.7 17.2 2.2 18 25 A A - 0 0 15 102,-0.3 31,-0.1 1,-0.1 5,-0.1 -0.742 15.3-125.5 -97.1 143.3 45.3 20.0 0.2 19 26 A A S S- 0 0 25 -2,-0.3 2,-0.2 3,-0.1 1387,-0.1 0.856 92.1 -5.4 -50.2 -41.3 45.1 20.2 -3.6 20 27 A T S S- 0 0 0 2,-0.3 29,-0.2 1385,-0.1 30,-0.1 -0.654 94.9 -76.7-137.6-165.8 48.9 20.5 -3.8 21 28 A I S S+ 0 0 4 -2,-0.2 2,-1.0 1,-0.2 26,-0.4 0.571 113.7 80.9 -77.2 -5.9 51.8 20.8 -1.4 22 29 A A S S- 0 0 0 500,-0.1 -2,-0.3 24,-0.1 -1,-0.2 -0.806 80.1-147.2-102.5 93.1 50.9 24.4 -1.0 23 30 A A - 0 0 5 -2,-1.0 3,-0.1 22,-0.5 541,-0.1 -0.201 14.6-172.0 -55.0 147.5 48.0 24.5 1.5 24 31 A R + 0 0 50 1,-0.3 12,-2.4 -11,-0.2 2,-0.4 0.682 66.0 37.5-114.5 -30.0 45.5 27.2 0.8 25 32 A Q E +C 35 0B 53 10,-0.3 -1,-0.3 -12,-0.3 2,-0.2 -0.979 59.0 169.5-132.6 130.6 43.3 27.1 3.9 26 33 A S E -C 34 0B 2 8,-2.0 8,-2.2 -2,-0.4 -12,-0.1 -0.706 18.6-167.9-122.1 176.7 44.1 26.3 7.5 27 34 A A >> + 0 0 6 -13,-0.3 4,-1.6 -2,-0.2 3,-0.6 0.308 65.0 92.9-148.3 3.2 42.1 26.6 10.7 28 35 A T T 34 S+ 0 0 6 1,-0.2 5,-0.1 2,-0.2 73,-0.0 0.005 86.2 51.3 -94.3 30.7 44.6 26.2 13.5 29 36 A G T 34 S+ 0 0 1 3,-0.2 -1,-0.2 5,-0.0 -2,-0.0 0.363 130.4 11.7-137.0 -8.6 45.3 29.9 13.9 30 37 A T T <4 S- 0 0 1 -3,-0.6 -2,-0.2 2,-0.1 3,-0.1 0.289 94.8-117.9-150.9 -2.4 41.7 31.1 14.2 31 38 A K S < S+ 0 0 10 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.826 84.6 100.5 59.1 32.6 39.7 28.0 14.7 32 39 A T S S- 0 0 2 -5,-0.2 2,-0.4 -6,-0.1 -3,-0.2 -0.995 89.6 -99.0-147.9 140.6 37.8 28.7 11.5 33 40 A D + 0 0 61 -2,-0.3 -6,-0.2 -3,-0.1 -20,-0.0 -0.458 65.6 160.3 -58.0 112.1 38.1 27.4 7.9 34 41 A T E -C 26 0B 7 -8,-2.2 -8,-2.0 -2,-0.4 5,-0.1 -0.985 46.8-112.2-147.9 134.0 40.2 30.4 6.6 35 42 A P E > -C 25 0B 22 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.389 38.3-117.3 -62.3 134.7 42.5 31.1 3.7 36 43 A I G > S+ 0 0 11 -12,-2.4 3,-2.2 1,-0.3 -11,-0.1 0.818 110.1 58.7 -42.4 -47.1 46.0 31.6 4.9 37 44 A Q G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -13,-0.3 478,-0.1 0.904 99.4 58.5 -53.7 -43.0 46.3 35.1 3.8 38 45 A K G < S+ 0 0 58 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.471 82.9 104.5 -68.9 1.3 43.4 36.2 5.9 39 46 A V < - 0 0 2 -3,-2.2 4,-0.1 -4,-0.3 432,-0.1 -0.767 65.2-149.4 -90.2 120.5 45.2 35.0 9.0 40 47 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 431,-0.2 0.416 77.0 55.9 -65.2 0.4 46.5 37.8 11.1 41 48 A Q S S- 0 0 0 429,-0.1 -2,-0.1 442,-0.0 86,-0.1 -0.914 95.6 -82.8-136.7 163.0 49.4 35.6 12.3 42 49 A S + 0 0 0 84,-0.3 2,-0.3 -2,-0.3 84,-0.3 -0.333 50.9 171.6 -66.3 139.9 52.2 33.5 11.0 43 50 A I - 0 0 3 82,-0.2 2,-0.3 -4,-0.1 82,-0.2 -0.924 18.1-166.7-143.6 167.3 51.3 29.9 9.9 44 51 A S E -D 124 0C 2 80,-1.1 80,-1.6 -2,-0.3 2,-0.4 -0.978 2.9-164.7-155.4 146.5 52.8 26.8 8.2 45 52 A V E -D 123 0C 7 -2,-0.3 2,-0.8 78,-0.2 -22,-0.5 -0.840 4.8-162.6-142.7 102.7 51.3 23.7 6.8 46 53 A V E -D 122 0C 2 76,-3.0 76,-2.8 -2,-0.4 2,-0.1 -0.766 26.5-140.2 -85.3 113.1 53.3 20.6 5.9 47 54 A T E > -D 121 0C 2 -2,-0.8 4,-3.3 -26,-0.4 74,-0.2 -0.348 16.0-126.3 -74.3 153.0 51.1 18.5 3.6 48 55 A A H > S+ 0 0 20 72,-1.4 4,-3.2 1,-0.2 -1,-0.1 0.928 116.7 57.4 -59.0 -46.7 50.8 14.8 3.6 49 56 A E H 4 S+ 0 0 75 71,-0.3 -1,-0.2 1,-0.2 -28,-0.1 0.921 110.3 44.1 -50.2 -46.0 51.7 15.0 -0.0 50 57 A E H 4 S+ 0 0 7 1,-0.2 3,-0.3 -30,-0.1 -2,-0.2 0.972 114.2 48.5 -63.9 -54.5 54.9 16.8 1.0 51 58 A M H >X S+ 0 0 10 -4,-3.3 2,-4.3 1,-0.3 3,-3.0 0.929 99.6 64.1 -50.3 -57.7 55.7 14.4 3.9 52 59 A A T 3< S+ 0 0 45 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.1 -0.134 97.1 63.8 -66.4 51.1 55.2 11.2 1.9 53 60 A L T 34 S+ 0 0 7 -2,-4.3 -1,-0.3 -3,-0.3 -2,-0.2 0.312 108.4 33.3-147.6 -16.5 58.1 12.4 -0.2 54 61 A H T <4 S- 0 0 23 -3,-3.0 -2,-0.2 -4,-0.2 3,-0.1 0.371 97.6-137.9-120.0 -8.1 60.8 12.4 2.4 55 62 A Q < - 0 0 11 -4,-1.4 -3,-0.1 1,-0.1 2,-0.1 0.941 28.5-159.1 45.4 60.2 59.3 9.4 4.1 56 63 A P - 0 0 11 0, 0.0 61,-0.2 0, 0.0 -1,-0.1 -0.415 21.3-142.8 -70.0 140.6 59.9 10.9 7.6 57 64 A K S S+ 0 0 21 -3,-0.1 2,-0.3 -2,-0.1 60,-0.1 0.502 82.0 7.8 -82.2 -2.0 60.0 8.6 10.6 58 65 A S S S- 0 0 4 57,-0.1 4,-0.3 1,-0.1 57,-0.1 -0.990 79.1 -98.2-167.5 167.6 58.3 11.4 12.6 59 66 A V S S+ 0 0 0 55,-0.4 4,-0.4 -2,-0.3 3,-0.3 0.759 118.1 59.8 -66.3 -23.9 56.6 14.7 12.7 60 67 A K S > S+ 0 0 4 1,-0.2 3,-2.2 2,-0.2 -1,-0.2 0.974 104.0 46.5 -69.6 -51.5 59.8 16.3 13.8 61 68 A E T 3 S+ 0 0 50 1,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.536 108.4 62.8 -66.9 -1.8 61.8 15.2 10.6 62 69 A A T 3 S+ 0 0 10 -4,-0.3 3,-0.3 -3,-0.3 -1,-0.3 0.594 96.8 54.7 -95.7 -15.2 58.7 16.5 8.8 63 70 A L S X S+ 0 0 1 -3,-2.2 3,-1.4 -4,-0.4 -2,-0.2 0.223 74.0 107.7-101.7 13.7 59.3 20.0 10.0 64 71 A S T 3 S+ 0 0 21 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.810 80.5 46.7 -62.8 -29.8 62.8 20.2 8.7 65 72 A Y T 3 S+ 0 0 7 -3,-0.3 -1,-0.3 -4,-0.1 539,-0.1 -0.092 93.7 104.5-102.7 36.8 61.9 22.5 5.9 66 73 A T X - 0 0 1 -3,-1.4 3,-0.6 3,-0.2 510,-0.1 -0.973 69.7-120.3-124.5 125.6 59.9 24.8 8.2 67 74 A P T 3 S+ 0 0 0 0, 0.0 511,-0.1 0, 0.0 3,-0.1 -0.284 88.6 18.7 -64.0 137.8 61.0 28.3 9.4 68 75 A G T 3 S+ 0 0 2 1,-0.1 18,-1.0 491,-0.1 2,-0.3 0.788 101.5 103.2 74.4 29.8 61.4 29.2 13.1 69 76 A V E < -H 85 0D 2 -3,-0.6 2,-0.6 16,-0.2 -3,-0.2 -0.907 55.3-158.6-147.3 112.5 61.5 25.6 14.1 70 77 A S E -H 84 0D 13 14,-1.5 14,-0.8 -2,-0.3 3,-0.5 -0.822 3.8-171.7 -92.5 123.5 64.7 23.7 15.1 71 78 A V S S+ 0 0 33 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.006 72.0 77.1-102.6 30.1 64.1 20.0 14.7 72 79 A G > + 0 0 4 525,-0.2 3,-0.9 1,-0.1 -1,-0.2 0.272 46.1 117.5-122.2 11.4 67.4 19.2 16.4 73 80 A T T 3 S+ 0 0 0 -3,-0.5 -1,-0.1 9,-0.4 3,-0.1 0.805 101.5 18.2 -47.6 -35.2 66.8 19.8 20.1 74 81 A R T > S- 0 0 15 1,-0.2 3,-1.1 8,-0.2 2,-0.6 0.217 103.3-147.1-120.8 9.0 67.6 16.1 20.7 75 82 A G T < S+ 0 0 16 -3,-0.9 -1,-0.2 1,-0.2 615,-0.2 -0.479 73.0 2.9 69.5-108.7 69.3 15.6 17.4 76 83 A A T 3 S+ 0 0 24 613,-0.9 2,-0.3 -2,-0.6 121,-0.3 0.242 105.0 103.8 -99.0 9.0 68.8 12.1 16.0 77 84 A S < - 0 0 7 -3,-1.1 -3,-0.2 1,-0.1 160,-0.1 -0.690 44.1-175.5 -89.4 147.3 66.5 10.8 18.7 78 85 A N + 0 0 23 156,-0.4 -1,-0.1 -2,-0.3 -18,-0.1 0.123 49.0 115.7-127.4 20.2 62.8 10.6 17.9 79 86 A T S S+ 0 0 1 157,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.905 87.5 21.1 -55.2 -41.0 61.6 9.6 21.3 80 87 A Y S S- 0 0 12 2,-0.1 2,-1.1 -3,-0.0 -6,-0.1 -0.908 71.3-128.5-130.9 157.1 59.7 12.9 21.4 81 88 A D + 0 0 6 -2,-0.3 2,-0.6 31,-0.2 -3,-0.1 -0.698 47.8 168.9 -99.9 73.1 58.4 15.5 18.9 82 89 A H - 0 0 11 -2,-1.1 -9,-0.4 13,-0.1 2,-0.3 -0.823 10.0-174.1 -95.6 118.6 60.1 18.3 20.8 83 90 A L - 0 0 10 -2,-0.6 2,-0.5 -11,-0.1 7,-0.3 -0.804 24.4-154.6-115.2 151.8 60.2 21.6 19.1 84 91 A I E -H 70 0D 17 -14,-0.8 -14,-1.5 -2,-0.3 2,-0.7 -0.943 19.7-168.2-119.8 104.1 61.8 25.0 19.8 85 92 A I E S-H 69 0D 7 3,-2.0 3,-0.4 -2,-0.5 -16,-0.2 -0.857 72.6 -14.2-100.0 113.4 59.7 27.6 17.9 86 93 A R S S- 0 0 2 -18,-1.0 -1,-0.3 -2,-0.7 -17,-0.1 0.989 129.6 -52.2 60.1 60.5 61.3 31.0 17.8 87 94 A G S S+ 0 0 12 -3,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.585 119.4 106.5 54.5 13.6 63.9 30.1 20.5 88 95 A F + 0 0 11 -3,-0.4 -3,-2.0 51,-0.2 2,-0.3 -0.948 38.7 168.8-129.6 149.6 61.2 29.0 22.8 89 96 A A - 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