==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 03-JUN-04 1TJB . COMPND 2 MOLECULE: LANTHANIDE-BINDING PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.NITZ,M.SHERAWAT,K.J.FRANZ,E.PEISACH,K.N.ALLEN,B.IMPERIALI . 34 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 5 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 20.6 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+4), 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 . 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 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 99 A Y 0 0 190 0, 0.0 2,-0.5 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 164.3 14.0 -10.9 -6.1 2 100 A I - 0 0 127 12,-0.3 2,-2.2 7,-0.0 3,-0.2 -0.981 360.0-143.5-123.3 119.0 17.8 -11.5 -6.2 3 101 A D > + 0 0 30 -2,-0.5 3,-1.7 1,-0.2 5,-0.2 -0.527 30.4 170.5 -80.2 74.9 19.5 -12.6 -3.1 4 102 A T T 3 S+ 0 0 97 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.739 75.0 48.0 -60.5 -28.3 22.7 -10.6 -3.8 5 103 A N T 3 S- 0 0 85 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.294 102.4-135.9 -96.5 9.7 24.3 -11.2 -0.4 6 104 A N < + 0 0 140 -3,-1.7 -2,-0.1 1,-0.2 4,-0.1 0.761 61.1 134.8 41.9 41.0 23.5 -14.9 -0.8 7 105 A D S S- 0 0 67 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.406 79.8-104.2 -94.8 1.7 22.3 -15.2 2.8 8 106 A G S S+ 0 0 58 1,-0.3 2,-0.3 -5,-0.2 -2,-0.0 0.518 91.7 81.7 90.4 5.4 19.3 -17.3 1.7 9 107 A W S S- 0 0 191 2,-0.0 2,-0.6 -7,-0.0 -2,-0.4 -0.904 74.9-122.9-138.2 165.4 16.7 -14.4 2.1 10 108 A Y + 0 0 124 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.1 -0.949 59.0 128.6-109.7 110.0 15.4 -11.4 0.3 11 109 A E > + 0 0 55 -2,-0.6 3,-2.3 5,-0.0 4,-0.3 -0.930 45.5 2.5-153.5 176.2 15.9 -8.4 2.5 12 110 A G G > S+ 0 0 54 -2,-0.3 3,-2.3 1,-0.3 4,-0.4 -0.092 125.7 6.1 45.8-126.0 17.3 -4.9 3.0 13 111 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.650 122.5 70.2 -63.0 -15.1 18.8 -3.3 -0.1 14 112 A E G < S+ 0 0 30 -3,-2.3 -12,-0.3 1,-0.2 -1,-0.3 0.699 106.5 40.2 -73.5 -17.5 17.6 -6.3 -2.1 15 113 A L S < S+ 0 0 89 -3,-2.3 2,-1.0 -4,-0.3 -1,-0.2 0.410 89.6 110.1-106.6 -3.4 14.2 -4.8 -1.5 16 114 A L 0 0 130 -4,-0.4 -3,-0.0 -3,-0.3 -5,-0.0 -0.650 360.0 360.0 -81.1 101.8 15.2 -1.2 -2.0 17 115 A A 0 0 143 -2,-1.0 -2,-0.1 0, 0.0 -3,-0.0 -0.599 360.0 360.0-108.9 360.0 13.7 -0.1 -5.3 18 !* 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 19 99 B Y 0 0 189 0, 0.0 2,-0.5 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 156.5 -11.3 -7.7 -8.9 20 100 B I - 0 0 124 12,-0.5 2,-2.6 7,-0.0 3,-0.2 -0.974 360.0-140.8-123.5 117.8 -8.0 -7.4 -7.0 21 101 B D > + 0 0 40 -2,-0.5 3,-1.9 1,-0.2 5,-0.2 -0.397 33.9 167.7 -75.8 68.5 -4.9 -5.9 -8.8 22 102 B T T 3 S+ 0 0 99 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.827 72.1 48.0 -51.7 -42.6 -2.5 -8.4 -7.2 23 103 B N T 3 S- 0 0 82 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.411 105.5-129.1 -84.5 3.6 0.5 -7.6 -9.4 24 104 B N < + 0 0 138 -3,-1.9 -2,-0.1 1,-0.1 -3,-0.0 0.873 67.1 126.1 53.9 49.9 -0.0 -3.8 -8.9 25 105 B D S S- 0 0 69 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.332 81.5-102.8-118.0 7.6 -0.0 -2.7 -12.5 26 106 B G S S+ 0 0 64 1,-0.3 2,-0.3 -5,-0.2 -5,-0.0 0.489 92.9 84.2 87.4 1.5 -3.3 -0.7 -12.8 27 107 B W S S- 0 0 193 2,-0.0 2,-0.6 -7,-0.0 -2,-0.4 -0.919 73.2-127.4-134.7 160.8 -5.2 -3.5 -14.6 28 108 B Y + 0 0 128 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.1 -0.951 53.0 141.8-107.5 115.4 -7.1 -6.7 -13.7 29 109 B E > - 0 0 56 -2,-0.6 3,-2.7 0, 0.0 4,-0.2 -0.960 43.8 -14.8-151.9 169.1 -5.7 -9.5 -15.8 30 110 B G G > S+ 0 0 52 -2,-0.3 3,-2.9 1,-0.3 4,-0.1 -0.027 126.7 12.8 40.4-121.7 -4.7 -13.2 -16.0 31 111 B D G > S+ 0 0 140 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.644 120.2 70.4 -59.6 -14.1 -4.4 -14.9 -12.7 32 112 B E G < S+ 0 0 25 -3,-2.7 -12,-0.5 1,-0.2 -1,-0.3 0.617 96.7 53.5 -77.0 -11.6 -6.2 -12.0 -11.2 33 113 B L G < S+ 0 0 91 -3,-2.9 2,-0.3 -4,-0.2 -1,-0.2 0.297 81.9 118.2-103.8 7.0 -9.3 -13.2 -13.0 34 114 B L < 0 0 131 -3,-1.0 -3,-0.0 -4,-0.1 0, 0.0 -0.598 360.0 360.0 -77.6 132.9 -9.0 -16.7 -11.6 35 115 B A 0 0 151 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.448 360.0 360.0-141.6 360.0 -12.1 -17.8 -9.5