==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 10-MAY-04 1WD0 . COMPND 2 MOLECULE: 5'-D(*CP*CP*TP*AP*TP*AP*TP*AP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.-P.KO,H.-M.CHU,C.-Y.CHEN,C.-C.CHOU,A.H.-J.WANG . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 69.7 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 . 24 36.4 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 . 3 4.5 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 13.6 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 1 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 2 0 1 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 . 1 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 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 1 A M 0 0 168 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.9 -2.5 20.0 18.0 2 2 A V - 0 0 65 14,-0.0 15,-2.1 49,-0.0 16,-0.4 -0.477 360.0-171.3 -76.1 138.2 0.3 21.9 16.4 3 3 A K E -A 16 0A 89 13,-0.2 2,-0.5 -2,-0.2 13,-0.2 -0.913 18.3-145.8-129.5 155.4 3.6 20.1 15.6 4 4 A V E -A 15 0A 2 11,-2.4 11,-1.7 -2,-0.3 2,-0.5 -0.988 10.2-153.8-122.1 126.6 7.0 20.9 14.4 5 5 A K E +A 14 0A 107 -2,-0.5 2,-0.3 44,-0.2 9,-0.2 -0.901 29.5 159.6 -96.9 122.6 8.9 18.5 12.1 6 6 A F E -A 13 0A 4 7,-2.5 7,-3.6 -2,-0.5 2,-0.3 -0.941 37.7-100.8-140.2 166.3 12.7 18.8 12.5 7 7 A K E +A 12 0A 125 37,-0.6 2,-0.3 -2,-0.3 37,-0.3 -0.564 32.4 175.5 -91.2 144.7 15.8 16.9 11.9 8 8 A Y E > -A 11 0A 88 3,-2.0 3,-1.7 -2,-0.3 35,-0.0 -0.843 69.0 -22.5-154.4 115.5 17.7 15.1 14.4 9 9 A K T 3 S- 0 0 201 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.913 129.0 -46.8 52.5 48.2 20.8 13.0 13.8 10 10 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.449 121.2 95.4 80.3 -1.6 19.8 12.4 10.2 11 11 A E E < S-A 8 0A 116 -3,-1.7 -3,-2.0 -5,-0.0 2,-0.3 -0.946 76.4-109.7-126.4 148.6 16.1 11.6 10.8 12 12 A E E -A 7 0A 101 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.541 39.2-179.7 -72.4 131.2 12.8 13.5 10.8 13 13 A K E -A 6 0A 81 -7,-3.6 -7,-2.5 -2,-0.3 2,-0.3 -0.842 12.5-150.4-126.1 158.4 11.4 13.9 14.3 14 14 A E E -A 5 0A 107 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.966 12.7-179.0-128.9 147.1 8.1 15.7 15.4 15 15 A V E -A 4 0A 9 -11,-1.7 -11,-2.4 -2,-0.3 2,-0.3 -0.981 31.7-110.6-148.8 143.7 7.3 17.4 18.7 16 16 A D E > -A 3 0A 26 -2,-0.3 3,-2.5 -13,-0.2 4,-0.3 -0.522 25.1-130.8 -68.1 135.8 4.2 19.1 20.0 17 17 A T G > S+ 0 0 9 -15,-2.1 3,-1.5 1,-0.3 -1,-0.1 0.792 104.9 69.2 -60.5 -25.1 4.6 22.9 20.3 18 18 A S G 3 S+ 0 0 102 -16,-0.4 -1,-0.3 1,-0.3 -15,-0.1 0.679 94.7 55.5 -69.0 -16.2 3.2 22.7 23.8 19 19 A K G < S+ 0 0 85 -3,-2.5 16,-3.4 15,-0.1 -1,-0.3 0.541 81.0 112.2 -92.9 -7.0 6.4 20.9 24.8 20 20 A I E < -B 34 0B 14 -3,-1.5 14,-0.3 -4,-0.3 3,-0.1 -0.478 41.2-177.3 -66.9 132.5 8.7 23.6 23.6 21 21 A K E + 0 0 130 12,-2.4 2,-0.3 1,-0.4 13,-0.2 0.879 66.4 2.5 -96.4 -47.6 10.6 25.5 26.4 22 22 A K E -B 33 0B 111 11,-0.8 11,-2.5 2,-0.0 -1,-0.4 -0.986 58.1-170.7-146.2 141.6 12.6 28.2 24.6 23 23 A V E +B 32 0B 3 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.955 14.5 164.2-131.2 141.9 12.8 29.3 20.9 24 24 A W E -B 31 0B 94 7,-2.4 7,-2.0 -2,-0.3 2,-0.3 -0.955 31.1-110.7-156.1 164.3 15.4 31.8 19.4 25 25 A R E -B 30 0B 101 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.766 17.6-175.8-104.8 147.1 16.7 32.8 16.0 26 26 A V E > S-B 29 0B 74 3,-3.0 3,-2.1 -2,-0.3 2,-0.3 -0.712 71.8 -67.6-137.4 79.7 20.1 32.2 14.5 27 27 A G T 3 S- 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.577 118.1 -13.7 68.9-130.0 19.8 34.1 11.2 28 28 A K T 3 S+ 0 0 150 -2,-0.3 19,-2.3 -3,-0.1 2,-0.4 0.551 121.7 94.1 -82.4 -6.1 17.3 32.1 9.2 29 29 A M E < -BC 26 46B 83 -3,-2.1 -3,-3.0 17,-0.2 2,-0.6 -0.698 61.0-157.3 -88.5 134.3 17.6 29.1 11.6 30 30 A V E -BC 25 45B 0 15,-3.0 15,-2.6 -2,-0.4 2,-0.2 -0.943 16.9-173.3-112.0 114.3 15.0 28.9 14.3 31 31 A S E +BC 24 44B 14 -7,-2.0 -7,-2.4 -2,-0.6 2,-0.3 -0.676 7.5 166.9-104.6 159.4 16.3 26.7 17.2 32 32 A F E -BC 23 43B 1 11,-2.4 11,-2.1 -2,-0.2 2,-0.3 -0.978 27.6-132.8-164.7 164.4 14.5 25.5 20.3 33 33 A T E -BC 22 42B 23 -11,-2.5 -12,-2.4 -2,-0.3 -11,-0.8 -0.872 24.8-171.0-119.0 158.1 14.6 23.2 23.3 34 34 A Y E -BC 20 41B 11 7,-2.7 7,-2.4 -2,-0.3 2,-0.7 -0.980 35.8 -97.4-146.3 162.4 11.7 21.1 24.4 35 35 A D E - C 0 40B 72 -16,-3.4 2,-0.8 -2,-0.3 5,-0.2 -0.725 40.4-166.5 -79.3 117.7 10.6 18.9 27.3 36 36 A D E > - C 0 39B 42 3,-4.0 3,-1.2 -2,-0.7 -1,-0.1 -0.720 64.7 -53.8-111.5 80.5 11.5 15.5 26.0 37 37 A N T 3 S- 0 0 143 -2,-0.8 -1,-0.1 1,-0.3 3,-0.1 0.866 120.1 -34.1 61.1 38.2 9.9 13.0 28.3 38 38 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.282 131.2 73.4 103.3 -13.5 11.5 14.5 31.4 39 39 A K E < S-C 36 0B 127 -3,-1.2 -3,-4.0 -5,-0.0 2,-0.5 -0.849 90.3 -89.2-127.2 166.4 14.8 15.6 29.9 40 40 A T E -C 35 0B 71 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.676 38.8-173.4 -87.0 122.7 15.7 18.4 27.5 41 41 A G E -C 34 0B 11 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.3 -0.711 8.5-151.2-103.6 160.9 15.6 17.7 23.8 42 42 A R E +C 33 0B 148 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.907 20.8 154.6-129.4 159.1 16.7 20.2 21.1 43 43 A G E -C 32 0B 8 -11,-2.1 -11,-2.4 -2,-0.3 2,-0.3 -0.965 16.3-160.7-168.0 173.6 15.8 20.9 17.5 44 44 A A E -C 31 0B 31 -2,-0.3 -37,-0.6 -37,-0.3 2,-0.3 -0.966 3.9-167.5-160.4 157.2 15.8 23.6 14.8 45 45 A V E -C 30 0B 16 -15,-2.6 -15,-3.0 -2,-0.3 2,-0.1 -0.954 34.8 -92.1-144.7 161.9 14.1 24.3 11.6 46 46 A S E >> -C 29 0B 46 -2,-0.3 4,-0.9 -17,-0.2 3,-0.5 -0.455 39.5-119.9 -70.2 148.9 14.4 26.7 8.7 47 47 A E G >4 S+ 0 0 69 -19,-2.3 3,-1.1 1,-0.3 -1,-0.1 0.909 114.1 56.2 -59.1 -39.2 12.4 29.8 9.2 48 48 A K G 34 S+ 0 0 170 1,-0.3 -1,-0.3 -20,-0.2 -2,-0.0 0.890 110.3 45.5 -62.8 -32.8 10.4 29.1 6.1 49 49 A D G <4 S+ 0 0 113 -3,-0.5 -1,-0.3 2,-0.1 -44,-0.2 0.506 85.4 111.6 -86.8 -5.0 9.4 25.7 7.5 50 50 A A << - 0 0 9 -3,-1.1 2,-0.2 -4,-0.9 -46,-0.1 -0.410 69.9-121.7 -68.1 138.3 8.5 26.9 11.0 51 51 A P >> - 0 0 32 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.542 26.9-107.3 -79.9 157.6 4.8 26.6 11.9 52 52 A K H 3> S+ 0 0 145 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.854 117.6 57.1 -48.6 -48.7 3.0 29.8 12.9 53 53 A E H 3> S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.862 107.8 48.1 -53.5 -37.2 2.7 28.9 16.4 54 54 A L H <> S+ 0 0 0 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.940 109.9 51.2 -73.4 -40.8 6.4 28.5 16.7 55 55 A L H X S+ 0 0 41 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.839 110.1 52.0 -62.0 -29.5 7.1 31.8 15.0 56 56 A D H X S+ 0 0 98 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.879 107.7 49.6 -73.7 -39.1 4.7 33.4 17.5 57 57 A M H < S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -34,-0.2 0.840 112.7 51.2 -66.7 -27.8 6.5 31.9 20.4 58 58 A L H >X S+ 0 0 3 -4,-1.7 3,-2.6 2,-0.2 4,-2.2 0.985 110.6 44.5 -69.7 -59.3 9.6 33.3 18.8 59 59 A A H 3X S+ 0 0 32 -4,-3.0 4,-0.9 1,-0.3 -2,-0.2 0.895 116.1 48.9 -52.0 -41.0 8.3 36.9 18.3 60 60 A R H 3< S+ 0 0 187 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.535 108.5 56.6 -79.6 -3.3 7.0 36.7 21.9 61 61 A A H <4 S+ 0 0 23 -3,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.904 131.3 4.7 -88.6 -54.7 10.4 35.4 23.0 62 62 A E H >< S+ 0 0 72 -4,-2.2 3,-1.5 1,-0.1 -3,-0.2 0.848 129.8 55.4 -99.2 -45.2 12.5 38.3 21.7 63 63 A R T 3< S+ 0 0 180 -4,-0.9 -3,-0.2 -5,-0.5 -1,-0.1 0.262 116.6 46.6 -71.6 17.3 9.9 40.8 20.4 64 64 A E T 3 S+ 0 0 112 -6,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.115 106.3 53.3-150.5 36.4 8.6 40.4 23.9 65 65 A K < 0 0 175 -3,-1.5 -2,-0.1 0, 0.0 -1,-0.1 -0.281 360.0 360.0-169.2 53.7 11.7 40.7 26.0 66 66 A K 0 0 210 -3,-0.1 -3,-0.1 0, 0.0 -4,-0.0 -0.465 360.0 360.0 -97.1 360.0 13.0 44.0 24.6