==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 25-OCT-07 2JWU . COMPND 2 MOLECULE: GB88; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR Y.HE,Y.CHEN,P.ALEXANDER,P.BRYAN,J.ORBAN . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 1 1.8 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 . 4 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 T 0 0 89 0, 0.0 19,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.8 3.6 -12.0 -2.0 2 2 A T E -A 19 0A 56 17,-0.3 2,-0.4 19,-0.0 17,-0.3 -0.524 360.0-155.6 -69.5 118.6 5.3 -8.9 -3.6 3 3 A Y E -A 18 0A 7 15,-2.5 15,-3.5 -2,-0.4 2,-0.4 -0.829 5.1-160.0-100.4 132.8 3.6 -5.8 -2.2 4 4 A K E -Ab 17 51A 69 46,-1.8 48,-3.5 -2,-0.4 2,-0.4 -0.928 9.4-179.0-115.9 136.5 3.7 -2.5 -4.1 5 5 A L E -Ab 16 52A 2 11,-2.0 11,-2.6 -2,-0.4 2,-0.4 -0.997 5.0-173.6-135.9 137.6 3.2 1.0 -2.7 6 6 A I E -Ab 15 53A 56 46,-1.8 48,-1.9 -2,-0.4 2,-0.4 -0.990 5.6-162.8-134.6 126.8 3.1 4.4 -4.4 7 7 A L E -Ab 14 54A 1 7,-3.7 7,-2.3 -2,-0.4 2,-0.6 -0.912 2.1-164.1-112.1 133.9 2.9 7.8 -2.7 8 8 A N E -Ab 13 55A 52 46,-1.2 48,-1.5 -2,-0.4 5,-0.2 -0.876 14.7-177.0-119.4 98.9 1.9 11.0 -4.5 9 9 A L - 0 0 43 3,-1.5 3,-0.3 -2,-0.6 4,-0.0 -0.174 43.8 -99.1 -82.8-178.9 2.8 14.2 -2.6 10 10 A K S S+ 0 0 175 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.739 119.0 1.8 -73.1 -24.1 2.1 17.8 -3.5 11 11 A Q S S+ 0 0 173 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 -0.112 124.1 65.6-157.6 45.6 5.6 18.1 -4.8 12 12 A A - 0 0 46 -3,-0.3 -3,-1.5 2,-0.0 2,-0.7 -0.518 58.2-157.0-173.6 98.3 7.4 14.8 -4.4 13 13 A K E +A 8 0A 168 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.720 20.2 176.5 -84.8 116.0 6.5 11.6 -6.3 14 14 A E E +A 7 0A 81 -7,-2.3 -7,-3.7 -2,-0.7 2,-0.3 -0.982 4.6 163.4-125.4 128.1 7.7 8.5 -4.3 15 15 A E E +A 6 0A 83 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.2 -1.000 3.5 152.3-144.4 142.1 7.1 4.9 -5.3 16 16 A A E -A 5 0A 27 -11,-2.6 -11,-2.0 -2,-0.3 2,-0.4 -0.915 31.8-121.4-154.9 179.3 8.6 1.6 -4.4 17 17 A I E +A 4 0A 79 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.3 -0.996 22.4 179.4-137.6 130.5 8.0 -2.2 -4.0 18 18 A K E -A 3 0A 62 -15,-3.5 -15,-2.5 -2,-0.4 2,-0.3 -0.995 21.0-134.1-133.4 137.0 8.3 -4.4 -0.9 19 19 A E E +A 2 0A 143 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.2 -0.649 34.8 154.4 -89.5 144.5 7.7 -8.1 -0.5 20 20 A L - 0 0 37 -19,-2.7 3,-0.1 -2,-0.3 -1,-0.0 -0.766 46.3-116.6-148.2-167.5 5.6 -9.5 2.4 21 21 A V S S+ 0 0 113 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.773 87.4 1.0-108.6 -46.0 3.5 -12.4 3.6 22 22 A D > - 0 0 104 1,-0.1 4,-1.4 -21,-0.0 -1,-0.3 -0.781 66.9-111.7-135.7 178.9 0.1 -10.8 4.2 23 23 A A H > S+ 0 0 27 -2,-0.2 4,-4.2 2,-0.2 5,-0.3 0.874 109.8 62.9 -82.8 -40.2 -1.7 -7.5 4.0 24 24 A A H > S+ 0 0 75 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.929 114.0 35.8 -49.1 -49.3 -2.1 -7.0 7.8 25 25 A T H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.904 114.8 57.1 -71.3 -41.5 1.6 -6.9 8.1 26 26 A A H X>S+ 0 0 1 -4,-1.4 4,-3.6 1,-0.3 5,-0.6 0.960 104.6 51.8 -52.2 -53.8 2.0 -5.1 4.8 27 27 A E H X5S+ 0 0 113 -4,-4.2 4,-1.4 1,-0.2 5,-0.3 0.828 108.8 53.1 -51.1 -34.8 -0.2 -2.3 6.1 28 28 A K H X5S+ 0 0 132 -4,-1.0 4,-1.2 -5,-0.3 -1,-0.2 0.942 121.4 28.9 -67.8 -47.9 2.2 -2.3 9.1 29 29 A Y H X5S+ 0 0 94 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.972 122.9 47.8 -75.1 -60.8 5.3 -1.9 7.0 30 30 A F H X5S+ 0 0 3 -4,-3.6 4,-2.4 1,-0.2 -3,-0.2 0.880 115.6 46.4 -49.2 -45.4 3.8 -0.1 4.0 31 31 A K H XS+ 0 0 34 -4,-1.9 4,-3.6 2,-0.2 5,-0.6 0.952 112.4 45.3 -75.7 -53.8 7.0 3.8 5.2 34 34 A A H <5S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.777 117.1 48.0 -61.2 -27.2 4.5 6.2 3.7 35 35 A N H <5S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.759 121.8 34.0 -84.6 -27.4 4.2 7.8 7.2 36 36 A A H <5S+ 0 0 72 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.2 0.897 124.3 39.2 -91.9 -52.5 7.9 8.1 7.6 37 37 A K T <5S- 0 0 128 -4,-3.6 -3,-0.2 -5,-0.2 2,-0.2 0.964 133.2 -14.4 -63.0 -55.0 9.2 8.7 4.1 38 38 A T S > -C 51 0A 109 5,-3.0 5,-1.9 -2,-0.3 3,-0.6 -0.949 7.8-160.9-115.7 125.1 -5.8 -2.5 -5.5 47 47 A D T 3 5S+ 0 0 146 -2,-0.5 -1,-0.0 1,-0.2 -2,-0.0 -0.191 74.1 89.5 -94.4 41.6 -7.0 -6.1 -5.5 48 48 A E T 3 5S- 0 0 162 -2,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.689 116.7 -20.6-105.8 -28.8 -5.0 -6.9 -8.7 49 49 A T T < 5S- 0 0 48 -3,-0.6 -45,-0.2 -45,-0.1 -2,-0.1 0.062 108.1 -71.0-174.0 39.8 -1.8 -8.0 -7.1 50 50 A K T 5S+ 0 0 58 -4,-0.4 -46,-1.8 1,-0.2 2,-0.4 0.997 74.6 167.6 59.9 73.9 -1.6 -6.6 -3.6 51 51 A T E < -bC 4 46A 25 -5,-1.9 -5,-3.0 -48,-0.2 2,-0.4 -0.955 23.0-157.9-123.4 140.1 -1.1 -2.9 -4.3 52 52 A F E -bC 5 45A 15 -48,-3.5 -46,-1.8 -2,-0.4 2,-0.5 -0.958 6.6-171.7-118.9 131.5 -1.3 0.1 -2.0 53 53 A T E +bC 6 44A 18 -9,-1.3 -9,-4.1 -2,-0.4 2,-0.4 -0.974 11.8 163.6-127.0 120.7 -1.9 3.7 -3.1 54 54 A V E +bC 7 43A 0 -48,-1.9 -46,-1.2 -2,-0.5 2,-0.3 -0.997 4.6 168.9-138.5 132.4 -1.7 6.7 -0.8 55 55 A T E bC 8 42A 48 -13,-0.7 -13,-2.2 -2,-0.4 -46,-0.2 -0.964 360.0 360.0-141.1 157.7 -1.4 10.4 -1.6 56 56 A E 0 0 124 -48,-1.5 -47,-0.2 -2,-0.3 -1,-0.1 0.236 360.0 360.0-163.1 360.0 -1.7 13.8 0.1