==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 15-JUN-05 2CW1 . COMPND 2 MOLECULE: SN4M; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.ISOGAI,Y.ITO,T.IKEYA,Y.SHIRO,M.OTA . 65 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 61.5 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 . 10 15.4 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 9 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.1 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 1 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 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 A M 0 0 122 0, 0.0 3,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 57.8 -4.4 9.5 6.7 2 2 A R + 0 0 220 1,-0.2 2,-1.2 41,-0.0 41,-0.0 0.468 360.0 121.0 64.7 0.5 -5.3 7.3 9.7 3 3 A K + 0 0 109 2,-0.0 39,-1.6 50,-0.0 2,-0.3 -0.712 35.3 153.8 -98.0 85.1 -6.4 4.8 7.0 4 4 A K B +A 41 0A 109 -2,-1.2 2,-0.3 37,-0.2 37,-0.2 -0.861 12.8 168.9-112.9 146.8 -4.2 1.8 7.7 5 5 A L - 0 0 58 35,-1.4 2,-1.5 -2,-0.3 35,-0.3 -0.996 48.3 -86.1-155.8 155.9 -5.0 -1.8 7.0 6 6 A D >> - 0 0 91 -2,-0.3 3,-1.9 1,-0.2 4,-1.4 -0.445 36.9-158.7 -63.5 90.0 -3.4 -5.3 6.9 7 7 A L H 3> S+ 0 0 5 -2,-1.5 4,-2.9 1,-0.3 5,-0.2 0.802 90.8 65.3 -41.8 -32.2 -1.9 -5.1 3.3 8 8 A K H 3> S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.933 100.1 47.9 -57.8 -47.0 -1.9 -8.8 3.5 9 9 A K H <4 S+ 0 0 130 -3,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.869 112.0 50.7 -61.3 -37.7 -5.8 -8.9 3.7 10 10 A F H >< S+ 0 0 37 -4,-1.4 3,-1.0 1,-0.2 4,-0.3 0.919 113.3 44.3 -66.8 -43.1 -5.8 -6.4 0.7 11 11 A V H >< S+ 0 0 10 -4,-2.9 3,-1.9 1,-0.2 4,-0.4 0.862 102.2 67.8 -66.6 -38.1 -3.5 -8.7 -1.3 12 12 A E T 3< S+ 0 0 142 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.658 80.9 79.1 -57.9 -16.6 -5.5 -11.7 -0.2 13 13 A D T < S- 0 0 102 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.875 132.7 -32.9 -60.5 -36.9 -8.3 -10.3 -2.4 14 14 A K S < S- 0 0 127 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.369 101.4 -82.9-146.2 -56.2 -6.5 -11.7 -5.4 15 15 A N > - 0 0 53 -4,-0.4 4,-1.1 -5,-0.2 -1,-0.3 -0.942 65.0 -49.2 168.9-153.0 -2.7 -11.5 -5.0 16 16 A Q H > S+ 0 0 70 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.623 124.7 67.9 -83.9 -12.8 0.0 -8.9 -5.3 17 17 A E H > S+ 0 0 116 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.933 103.3 41.7 -70.4 -46.9 -1.2 -8.0 -8.8 18 18 A Y H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.909 116.6 48.8 -65.4 -44.1 -4.4 -6.4 -7.5 19 19 A A H X S+ 0 0 0 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.854 116.0 43.5 -64.6 -35.7 -2.7 -4.7 -4.6 20 20 A A H < S+ 0 0 19 -4,-1.8 5,-0.5 2,-0.2 -1,-0.2 0.731 113.1 53.4 -81.0 -23.8 -0.0 -3.4 -7.0 21 21 A R H < S+ 0 0 201 -4,-1.7 -2,-0.2 1,-0.1 -3,-0.2 0.895 115.3 37.9 -76.0 -43.3 -2.7 -2.4 -9.5 22 22 A A H < S+ 0 0 32 -4,-2.7 28,-0.4 -5,-0.1 -2,-0.2 0.882 120.7 50.0 -75.5 -40.6 -4.7 -0.4 -7.0 23 23 A L S < S- 0 0 10 -4,-1.8 2,-0.5 -5,-0.3 28,-0.1 -0.268 88.7-113.3 -90.1-180.0 -1.6 1.0 -5.3 24 24 A G S S+ 0 0 23 39,-0.2 2,-0.3 -2,-0.1 28,-0.1 -0.735 72.9 82.8-120.4 83.1 1.5 2.7 -6.7 25 25 A L S S- 0 0 18 -2,-0.5 -2,-0.1 -5,-0.5 2,-0.0 -0.974 74.5 -87.4-169.4 163.5 4.5 0.5 -6.2 26 26 A S > - 0 0 71 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.245 38.3-112.6 -75.8 168.2 6.4 -2.5 -7.6 27 27 A Q H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.941 116.5 52.5 -67.0 -48.3 5.7 -6.1 -6.6 28 28 A K H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.917 109.9 50.3 -53.2 -45.3 9.0 -6.6 -4.8 29 29 A L H > S+ 0 0 57 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.919 105.3 55.8 -59.9 -43.1 8.2 -3.6 -2.8 30 30 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.833 105.5 53.8 -57.5 -31.7 4.8 -5.0 -2.0 31 31 A E H X>S+ 0 0 55 -4,-1.8 4,-2.7 -3,-0.3 5,-0.9 0.926 103.7 54.7 -67.6 -44.9 6.6 -7.9 -0.7 32 32 A E H X5S+ 0 0 54 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.887 117.7 35.8 -54.1 -44.4 8.6 -5.7 1.6 33 33 A V H <>S+ 0 0 3 -4,-2.0 5,-1.6 3,-0.2 4,-0.3 0.848 123.9 43.0 -79.1 -38.9 5.4 -4.3 3.0 34 34 A L H <5S+ 0 0 39 -4,-2.9 3,-0.2 -5,-0.2 -3,-0.2 0.972 120.8 35.3 -73.3 -60.2 3.4 -7.5 2.9 35 35 A K H <5S+ 0 0 119 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.894 125.6 42.0 -64.5 -41.1 5.9 -10.1 4.2 36 36 A R T < +C 59 0C 56 3,-2.0 3,-1.4 -2,-0.7 5,-0.1 -0.995 67.3 11.0-150.1 143.6 9.5 3.7 7.0 57 57 A D T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.555 130.1 -63.9 66.4 6.5 12.6 5.6 8.1 58 58 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.690 114.8 98.6 90.8 21.5 10.3 7.4 10.4 59 59 A I E < -C 56 0C 112 -3,-1.4 -3,-2.0 2,-0.0 2,-1.0 -0.981 69.8-128.8-140.8 152.9 8.1 9.1 7.8 60 60 A T E +C 55 0C 72 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.1 -0.757 35.8 178.1-101.8 86.3 4.8 8.5 6.1 61 61 A Q E -C 54 0C 75 -7,-1.0 -7,-2.2 -2,-1.0 2,-1.6 -0.766 29.6-134.4 -94.2 133.3 5.5 8.7 2.3 62 62 A P E -C 53 0C 40 0, 0.0 -9,-0.3 0, 0.0 -2,-0.0 -0.580 33.6-119.4 -86.1 77.1 2.8 8.0 -0.2 63 63 A F + 0 0 17 -2,-1.6 -39,-0.2 -11,-1.4 -10,-0.1 0.249 43.4 173.4 -17.5 89.9 4.6 5.7 -2.6 64 64 A P 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -39,-0.1 -0.210 360.0 360.0-104.8 41.3 4.3 8.0 -5.8 65 65 A P 0 0 143 0, 0.0 -40,-0.1 0, 0.0 -2,-0.1 0.293 360.0 360.0 -79.8 360.0 6.5 6.0 -8.3