==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 10-MAY-11 3RY3 . COMPND 2 MOLECULE: PUTATIVE SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.OSIPIUK,M.ZHOU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 979 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 647 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 3 0.3 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 . 67 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 1 2 0 4 2 3 4 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 0 0 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 PARALLEL BRIDGES PER LADDER . 4 5 6 2 7 5 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 2 0 1 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 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 30 A T 0 0 109 0, 0.0 2,-0.3 0, 0.0 176,-0.2 0.000 360.0 360.0 360.0 136.7 -1.1 25.1 19.9 2 31 A L E -a 177 0A 10 174,-0.8 176,-2.4 172,-0.0 2,-0.4 -0.989 360.0-151.0-143.0 139.3 2.3 26.5 20.7 3 32 A Q E -a 178 0A 43 -2,-0.3 194,-2.6 174,-0.2 195,-1.6 -0.957 17.1-170.7-112.8 133.2 4.5 28.7 18.6 4 33 A L E -ab 179 198A 0 174,-2.9 176,-3.0 -2,-0.4 2,-0.4 -0.927 23.6-165.4-128.1 145.7 8.3 28.6 18.8 5 34 A A E + b 0 199A 8 193,-2.7 195,-2.1 -2,-0.3 176,-0.1 -0.874 36.2 141.4-122.2 89.4 11.2 30.6 17.5 6 35 A I - 0 0 3 1,-0.5 474,-0.6 -2,-0.4 2,-0.2 0.116 67.6 -51.4-120.1 24.4 14.2 28.3 18.1 7 36 A G S S- 0 0 35 173,-0.4 -1,-0.5 472,-0.1 175,-0.1 -0.587 70.2 -59.7 128.8 163.0 16.3 28.9 15.0 8 37 A D 0 0 113 -2,-0.2 173,-0.0 173,-0.1 172,-0.0 -0.244 360.0 360.0 -72.8 165.8 16.1 28.9 11.3 9 38 A E 0 0 89 170,-0.0 -1,-0.1 -2,-0.0 172,-0.0 0.662 360.0 360.0 -25.4 360.0 15.1 25.9 9.0 10 ! 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 11 42 A G 0 0 71 0, 0.0 12,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0-131.0 17.3 19.6 7.1 12 43 A F + 0 0 34 10,-0.1 14,-0.1 11,-0.1 3,-0.0 0.253 360.0 118.7-104.0 8.4 14.9 17.0 8.6 13 44 A D > - 0 0 49 1,-0.2 3,-2.2 2,-0.0 4,-0.2 -0.695 55.7-153.4 -83.3 111.8 16.4 14.1 6.7 14 45 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 112,-0.2 0.713 90.0 72.4 -56.0 -23.3 17.7 11.5 9.1 15 46 A X G 3 S+ 0 0 17 1,-0.3 75,-0.6 110,-0.1 76,-0.3 0.628 87.1 63.3 -69.5 -12.7 20.2 10.3 6.5 16 47 A L G < S- 0 0 86 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.470 113.2-124.3 -84.8 -7.3 22.1 13.5 7.1 17 48 A G < - 0 0 14 -3,-1.7 -1,-0.3 -4,-0.2 109,-0.1 -0.624 23.6 -70.0 107.6-156.7 22.7 12.3 10.6 18 49 A W S S+ 0 0 66 -2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.060 81.6 115.8-136.2 27.5 22.0 13.6 14.0 19 50 A S S S+ 0 0 86 -3,-0.3 2,-0.3 457,-0.1 -1,-0.1 0.767 85.1 43.4 -69.2 -25.5 24.4 16.5 14.5 20 51 A H S S- 0 0 98 458,-0.2 3,-0.2 -9,-0.1 460,-0.2 -0.764 79.6-136.6-116.9 163.6 21.3 18.7 14.7 21 52 A G S > S+ 0 0 3 458,-2.8 3,-1.2 -2,-0.3 4,-0.2 0.402 78.0 94.1-102.1 2.2 18.1 18.1 16.5 22 53 A S G > S+ 0 0 7 457,-0.4 3,-2.0 1,-0.3 4,-0.4 0.833 73.8 67.5 -73.4 -28.4 15.5 19.1 14.0 23 54 A Y G >> S+ 0 0 15 -12,-0.3 4,-1.4 1,-0.3 3,-0.9 0.787 87.5 72.8 -57.5 -24.4 15.0 15.6 12.6 24 55 A L G <4 S+ 0 0 44 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.622 80.6 69.3 -70.7 -15.5 13.6 14.7 16.0 25 56 A L G <4 S+ 0 0 0 -3,-2.0 123,-1.9 -4,-0.2 -1,-0.2 0.921 121.1 14.1 -62.9 -41.4 10.3 16.6 15.4 26 57 A L T <4 S+ 0 0 6 -3,-0.9 120,-2.2 -4,-0.4 2,-0.3 0.409 122.4 56.1-115.3 -7.3 9.2 14.1 12.7 27 58 A H < - 0 0 11 -4,-1.4 101,-0.1 118,-0.3 117,-0.1 -0.887 56.4-155.2-134.8 163.8 11.5 11.1 13.1 28 59 A S - 0 0 6 99,-0.4 99,-2.5 -2,-0.3 117,-0.1 -0.998 10.4-139.8-144.6 138.1 12.6 8.6 15.7 29 60 A P - 0 0 8 0, 0.0 94,-0.2 0, 0.0 97,-0.2 -0.313 38.5-105.0 -79.8 177.0 15.5 6.3 16.4 30 61 A L S S+ 0 0 0 92,-1.2 13,-2.2 95,-0.4 12,-1.7 0.841 103.6 32.3 -76.5 -38.3 15.0 2.8 17.7 31 62 A L E S-K 41 0B 0 91,-1.8 2,-0.4 10,-0.2 10,-0.2 -0.823 70.4-149.2-113.4 162.1 16.1 3.8 21.3 32 63 A K E -K 40 0B 75 8,-3.0 8,-2.8 -2,-0.3 2,-0.2 -0.997 19.8-121.2-131.2 130.5 15.8 7.0 23.2 33 64 A Q E -K 39 0B 35 -2,-0.4 440,-0.3 90,-0.4 6,-0.2 -0.461 22.9-141.8 -73.8 132.3 18.3 8.2 25.9 34 65 A N > - 0 0 40 4,-3.1 3,-2.3 -2,-0.2 438,-0.1 -0.472 30.5-101.8 -80.0 160.8 17.1 8.9 29.5 35 66 A E T 3 S+ 0 0 116 1,-0.3 437,-0.1 -2,-0.1 -1,-0.1 0.735 124.6 54.5 -48.7 -31.9 18.2 11.7 31.7 36 67 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 437,-0.1 3,-0.1 0.333 120.3-109.8 -92.0 7.0 20.4 9.3 33.5 37 68 A F S < S+ 0 0 23 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.281 80.3 121.7 86.5 -4.3 22.1 8.3 30.3 38 69 A S - 0 0 31 -5,-0.1 -4,-3.1 1,-0.1 2,-0.4 -0.284 62.8-107.6 -76.5 172.4 20.6 4.8 30.1 39 70 A W E -K 33 0B 24 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.873 23.1-163.2-112.8 137.2 18.5 3.8 27.1 40 71 A D E -K 32 0B 87 -8,-2.8 -8,-3.0 -2,-0.4 2,-0.6 -0.871 24.3-122.3-113.2 147.9 14.8 3.2 26.6 41 72 A S E +K 31 0B 37 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.768 32.0 168.3 -95.3 126.1 13.4 1.4 23.8 42 73 A L S S+ 0 0 16 -12,-1.7 -1,-0.2 -2,-0.6 -11,-0.2 0.871 86.0 14.8 -92.1 -52.7 10.9 3.3 21.7 43 74 A L S S+ 0 0 2 -13,-2.2 18,-2.3 -14,-0.2 2,-0.3 0.562 113.5 75.8-105.1 -13.3 10.7 0.9 18.8 44 75 A L E -L 60 0C 2 -14,-0.7 16,-0.3 16,-0.3 3,-0.1 -0.804 46.0-168.0-108.8 141.6 12.3 -2.3 20.0 45 76 A S E S+ 0 0 77 14,-2.6 2,-0.3 -2,-0.3 15,-0.2 0.655 85.0 6.9 -87.9 -18.5 11.2 -5.1 22.3 46 77 A Q E +L 59 0C 67 13,-1.5 13,-3.1 2,-0.0 -1,-0.3 -0.984 54.0 176.0-161.6 144.9 14.7 -6.4 22.5 47 78 A Y E +L 58 0C 67 -2,-0.3 11,-0.2 11,-0.2 9,-0.0 -0.960 12.8 171.1-150.5 145.0 18.3 -5.8 21.4 48 79 A Q E -L 57 0C 117 9,-1.7 9,-2.5 -2,-0.3 2,-0.3 -0.967 24.2-140.0-155.7 121.8 21.3 -7.8 22.3 49 80 A P E -L 56 0C 34 0, 0.0 7,-0.3 0, 0.0 2,-0.1 -0.668 32.0-113.1 -78.0 152.7 24.9 -7.8 21.1 50 81 A S > - 0 0 35 5,-3.1 3,-1.3 -2,-0.3 5,-0.1 -0.402 28.6-107.2 -72.4 163.2 26.6 -11.1 20.6 51 82 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.899 122.7 51.1 -65.2 -40.0 29.4 -12.2 22.9 52 83 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 61,-0.0 -2,-0.0 0.555 106.6-134.3 -71.6 -8.2 32.1 -11.6 20.1 53 84 A G S < S+ 0 0 10 -3,-1.3 62,-0.4 2,-0.2 60,-0.2 0.381 80.3 105.5 73.8 -3.1 30.5 -8.2 19.7 54 85 A K S S+ 0 0 107 60,-0.1 57,-2.9 58,-0.1 2,-0.4 0.520 75.3 52.8 -86.4 -4.9 30.4 -8.5 15.9 55 86 A T E - M 0 110C 34 55,-0.2 -5,-3.1 -5,-0.1 2,-0.4 -0.986 58.2-170.3-132.5 137.7 26.6 -9.1 15.8 56 87 A W E -LM 49 109C 19 53,-2.5 53,-3.6 -2,-0.4 2,-0.5 -1.000 10.0-155.2-122.9 134.4 23.6 -7.3 17.1 57 88 A L E -LM 48 108C 47 -9,-2.5 -9,-1.7 -2,-0.4 2,-0.4 -0.919 11.9-168.4-103.3 128.6 20.1 -8.7 17.1 58 89 A L E -LM 47 107C 0 49,-3.0 49,-2.3 -2,-0.5 2,-0.5 -0.977 6.2-163.6-121.0 129.3 17.2 -6.2 17.1 59 90 A T E -LM 46 106C 26 -13,-3.1 -14,-2.6 -2,-0.4 -13,-1.5 -0.943 13.1-148.0-115.3 120.9 13.6 -7.2 17.7 60 91 A L E -L 44 0C 1 45,-2.4 -16,-0.3 -2,-0.5 14,-0.1 -0.504 23.3-106.3 -81.3 151.7 10.9 -4.6 16.8 61 92 A K > - 0 0 69 -18,-2.3 3,-0.6 -2,-0.2 -1,-0.1 -0.421 30.0-125.9 -64.5 150.7 7.6 -4.2 18.5 62 93 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.688 97.5 59.8 -75.6 -15.8 4.7 -5.6 16.4 63 94 A D T 3 S+ 0 0 128 8,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.096 72.6 131.7-110.5 24.3 2.5 -2.5 16.4 64 95 A L < + 0 0 11 -3,-0.6 8,-2.1 8,-0.3 2,-0.3 -0.561 22.7 164.4 -85.8 136.0 4.7 0.1 14.8 65 96 A K B -O 71 0D 100 101,-0.6 103,-0.2 6,-0.3 2,-0.1 -0.930 33.3-114.4-136.5 161.0 3.7 2.4 11.9 66 97 A F > - 0 0 0 4,-2.7 3,-2.4 -2,-0.3 79,-0.2 -0.387 48.3 -86.1 -80.1 176.2 5.1 5.6 10.4 67 98 A S T 3 S+ 0 0 3 77,-3.0 99,-0.1 1,-0.3 78,-0.1 0.619 127.1 54.7 -65.4 -15.4 3.2 8.9 10.5 68 99 A D T 3 S- 0 0 59 76,-0.1 -1,-0.3 2,-0.1 75,-0.0 0.234 122.1-102.7 -94.2 7.3 1.2 8.1 7.3 69 100 A G S < S+ 0 0 20 -3,-2.4 -2,-0.1 1,-0.3 0, 0.0 0.428 78.3 136.3 90.0 -7.0 -0.1 4.9 8.8 70 101 A S - 0 0 17 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.367 62.1 -93.2 -72.7 154.1 2.2 2.6 6.8 71 102 A P B -O 65 0D 85 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.406 23.9-145.1 -72.9 145.4 3.9 -0.2 8.7 72 103 A L + 0 0 5 -8,-2.1 -8,-0.3 -2,-0.1 2,-0.2 -0.955 37.7 163.7-106.7 110.8 7.4 0.1 10.2 73 104 A T >> - 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