==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 10-JAN-12 4D8H . COMPND 2 MOLECULE: DE NOVO PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC; . AUTHOR M.BLABER,L.LONGO . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 71.0 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 . 56 45.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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-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 . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 . 8 1 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 A H 0 0 230 0, 0.0 36,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 100.0 -13.4 -25.5 -1.2 2 11 A E - 0 0 55 122,-0.3 122,-3.1 34,-0.1 2,-0.3 -0.735 360.0-160.0-103.7 155.2 -9.8 -24.6 -0.5 3 12 A V E -AB 35 123A 22 32,-2.8 32,-2.3 -2,-0.3 2,-0.4 -0.892 11.3-137.3-129.5 159.6 -8.1 -21.2 -1.2 4 13 A L E - B 0 122A 2 118,-2.7 118,-2.1 -2,-0.3 2,-0.5 -0.957 12.5-147.5-113.4 138.6 -4.6 -20.0 -1.6 5 14 A L E - B 0 121A 1 -2,-0.4 9,-3.2 28,-0.4 2,-0.4 -0.941 24.6-175.5-107.0 128.2 -3.4 -16.7 -0.0 6 15 A R E -CB 13 120A 66 114,-2.5 114,-2.4 -2,-0.5 2,-0.5 -0.950 28.8-118.6-132.3 137.6 -0.8 -14.9 -2.1 7 16 A S E > - B 0 119A 1 5,-2.9 4,-2.3 -2,-0.4 112,-0.2 -0.645 15.7-153.2 -71.3 124.9 1.4 -11.8 -1.8 8 17 A T T 4 S+ 0 0 52 110,-2.7 -1,-0.2 -2,-0.5 111,-0.1 0.894 93.6 55.3 -60.5 -39.8 0.6 -9.4 -4.6 9 18 A E T 4 S+ 0 0 95 109,-0.5 -1,-0.2 106,-0.4 107,-0.1 0.926 129.7 5.9 -63.1 -46.6 4.2 -8.0 -4.3 10 19 A T T 4 S- 0 0 37 2,-0.1 -2,-0.2 90,-0.1 -1,-0.2 0.511 89.0-119.5-119.0 -10.8 6.2 -11.3 -4.7 11 20 A G < + 0 0 22 -4,-2.3 -3,-0.1 1,-0.3 2,-0.1 0.429 59.4 153.5 77.4 -1.0 3.7 -14.0 -5.6 12 21 A Q - 0 0 30 -6,-0.1 -5,-2.9 88,-0.1 2,-0.3 -0.392 39.0-133.7 -66.0 137.1 4.7 -15.9 -2.4 13 22 A L E -CD 6 25A 4 12,-3.3 12,-1.8 -7,-0.2 -7,-0.2 -0.715 17.4-115.0 -94.1 137.3 2.0 -18.2 -1.1 14 23 A L E - D 0 24A 0 -9,-3.2 2,-0.4 -2,-0.3 -9,-0.3 -0.524 35.9-169.4 -72.2 138.0 1.1 -18.3 2.6 15 24 A R E - D 0 23A 53 8,-2.7 8,-1.8 -2,-0.2 2,-0.7 -0.987 21.1-153.5-131.8 132.7 1.9 -21.6 4.2 16 25 A I E - D 0 22A 1 16,-2.3 6,-0.2 -2,-0.4 36,-0.1 -0.953 30.4-146.8-102.7 113.7 1.0 -23.0 7.7 17 26 A N > - 0 0 15 4,-2.9 3,-2.4 -2,-0.7 49,-0.1 -0.408 21.9-113.4 -82.3 155.2 3.7 -25.5 8.4 18 27 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.797 117.8 58.3 -54.6 -27.5 3.4 -28.8 10.4 19 28 A D T 3 S- 0 0 119 2,-0.1 3,-0.1 1,-0.0 47,-0.1 0.348 121.1-107.2 -86.3 6.4 5.7 -27.2 13.1 20 29 A G S < S+ 0 0 12 -3,-2.4 46,-2.7 1,-0.3 2,-0.2 0.355 78.3 128.6 89.8 -7.9 3.2 -24.4 13.6 21 30 A T B -E 65 0A 67 44,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.497 46.9-147.5 -77.2 152.7 5.3 -21.7 11.9 22 31 A V E +D 16 0A 11 42,-0.6 84,-0.7 -6,-0.2 2,-0.2 -0.988 34.4 133.6-125.5 128.7 3.7 -19.5 9.2 23 32 A D E -DF 15 105A 40 -8,-1.8 -8,-2.7 -2,-0.4 2,-0.3 -0.864 47.4 -85.0-157.3-173.1 5.7 -18.2 6.3 24 33 A G E +D 14 0A 12 80,-2.5 2,-0.3 -2,-0.2 -10,-0.2 -0.819 35.4 175.3-113.8 151.2 5.8 -17.8 2.5 25 34 A T E -D 13 0A 22 -12,-1.8 -12,-3.3 -2,-0.3 79,-0.1 -0.982 34.4-148.9-147.9 154.5 6.8 -20.1 -0.3 26 35 A R + 0 0 180 -2,-0.3 2,-1.2 -14,-0.2 -1,-0.1 0.365 69.8 112.6 -98.8 0.5 6.9 -20.3 -4.1 27 36 A D > - 0 0 73 1,-0.2 3,-1.8 -14,-0.1 6,-0.1 -0.613 46.2-173.7 -79.5 98.8 6.5 -24.0 -3.9 28 37 A R T 3 S+ 0 0 115 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.620 82.8 60.8 -68.0 -12.0 3.0 -24.6 -5.4 29 38 A S T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.430 74.3 115.5 -94.6 -0.1 3.3 -28.3 -4.4 30 39 A D X - 0 0 22 -3,-1.8 3,-1.3 1,-0.1 4,-0.2 -0.554 60.1-148.6 -71.7 126.9 3.7 -27.5 -0.7 31 40 A P G > S+ 0 0 64 0, 0.0 3,-0.7 0, 0.0 20,-0.5 0.607 88.5 73.7 -75.9 -7.3 0.7 -29.0 1.1 32 41 A G G 3 S+ 0 0 3 1,-0.2 -16,-2.3 19,-0.1 20,-0.1 0.507 82.6 69.2 -81.3 -4.8 0.7 -26.3 3.8 33 42 A I G < S+ 0 0 0 -3,-1.3 2,-0.6 -18,-0.2 -28,-0.4 0.662 71.8 100.7 -87.5 -16.2 -0.7 -23.7 1.4 34 43 A Q < + 0 0 23 -3,-0.7 16,-2.2 -4,-0.2 17,-0.4 -0.588 54.6 179.3 -73.8 113.3 -4.1 -25.2 1.1 35 44 A L E -AG 3 49A 0 -32,-2.3 -32,-2.8 -2,-0.6 2,-0.4 -0.872 20.8-149.3-119.3 151.5 -6.5 -23.2 3.4 36 45 A Q E - G 0 48A 79 12,-2.5 12,-2.3 -2,-0.3 2,-0.5 -0.969 12.6-142.0-117.6 133.2 -10.1 -23.4 4.3 37 46 A I E - G 0 47A 66 -36,-0.5 10,-0.2 -2,-0.4 8,-0.0 -0.790 16.8-170.6 -90.2 128.6 -12.2 -20.4 5.2 38 47 A S E - G 0 46A 31 8,-2.2 8,-2.4 -2,-0.5 2,-0.1 -0.981 20.1-128.9-121.0 125.1 -14.8 -21.0 7.9 39 48 A P E + G 0 45A 108 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.429 23.2 179.9 -71.7 139.4 -17.4 -18.3 8.6 40 49 A E E - 0 0 64 4,-2.9 5,-0.2 1,-0.2 36,-0.0 0.272 45.7-119.8-114.6 3.3 -17.8 -17.1 12.2 41 50 A G E > S+ G 0 44A 39 3,-0.6 3,-1.7 1,-0.1 -1,-0.2 0.012 88.9 71.6 74.5 170.1 -20.5 -14.6 11.4 42 51 A N T 3 S- 0 0 161 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.756 131.3 -59.8 55.1 29.5 -20.3 -10.8 12.0 43 52 A G T 3 S+ 0 0 62 1,-0.3 36,-0.3 35,-0.0 2,-0.3 0.614 108.7 123.1 79.2 12.7 -17.8 -10.5 9.2 44 53 A E E < +G 41 0A 38 -3,-1.7 -4,-2.9 34,-0.1 -3,-0.6 -0.816 34.3 178.5-108.9 150.3 -15.2 -12.8 10.8 45 54 A V E -GH 39 77A 23 32,-2.5 32,-2.6 -2,-0.3 2,-0.3 -0.943 21.8-133.7-139.5 160.6 -13.6 -15.9 9.5 46 55 A L E -G 38 0A 0 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.5 -0.858 14.4-146.4-106.0 151.7 -11.1 -18.6 10.5 47 56 A L E -G 37 0A 4 9,-0.3 9,-3.0 -2,-0.3 2,-0.4 -0.991 22.6-174.4-117.0 122.1 -8.3 -19.8 8.1 48 57 A R E -GI 36 55A 65 -12,-2.3 -12,-2.5 -2,-0.5 2,-0.4 -0.942 26.2-121.6-123.5 137.5 -7.5 -23.4 8.6 49 58 A S E > -G 35 0A 1 5,-3.2 4,-1.9 -2,-0.4 -14,-0.2 -0.626 14.3-154.4 -73.6 125.0 -4.8 -25.6 7.1 50 59 A T T 4 S+ 0 0 49 -16,-2.2 -1,-0.2 -2,-0.4 -15,-0.1 0.916 91.2 54.1 -61.8 -43.7 -6.3 -28.6 5.3 51 60 A E T 4 S+ 0 0 120 -20,-0.5 -1,-0.2 -17,-0.4 -19,-0.1 0.903 129.1 9.8 -63.9 -42.8 -3.1 -30.7 5.8 52 61 A T T 4 S- 0 0 35 2,-0.1 -1,-0.2 -36,-0.1 -2,-0.2 0.485 91.9-121.7-121.1 -6.2 -2.8 -30.4 9.6 53 62 A G < + 0 0 23 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.549 59.8 148.7 77.3 7.2 -6.0 -28.8 10.8 54 63 A Q - 0 0 16 -38,-0.1 -5,-3.2 -6,-0.1 2,-0.4 -0.499 41.7-132.2 -77.8 145.5 -4.1 -25.9 12.3 55 64 A L E -IJ 48 67A 1 12,-3.1 12,-2.2 -7,-0.2 2,-0.2 -0.787 20.3-114.4 -97.4 138.3 -5.7 -22.4 12.5 56 65 A L E - J 0 66A 0 -9,-3.0 2,-0.4 -2,-0.4 -9,-0.3 -0.527 37.2-169.8 -69.9 133.8 -4.0 -19.2 11.5 57 66 A R E - J 0 65A 53 8,-2.6 8,-2.1 -2,-0.2 2,-0.6 -0.992 19.7-157.8-132.1 130.9 -3.4 -16.9 14.4 58 67 A I E - J 0 64A 1 16,-2.2 6,-0.2 -2,-0.4 36,-0.1 -0.959 27.1-147.7-105.2 117.1 -2.2 -13.3 14.6 59 68 A N > - 0 0 16 4,-2.9 3,-2.0 -2,-0.6 49,-0.1 -0.450 21.2-115.6 -89.6 156.7 -0.8 -12.7 18.1 60 69 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.719 114.9 58.8 -63.1 -21.4 -0.8 -9.4 20.1 61 70 A D T 3 S- 0 0 123 2,-0.1 3,-0.1 1,-0.0 47,-0.0 0.438 122.8-104.2 -85.6 -1.0 3.0 -9.3 20.0 62 71 A G S < S+ 0 0 12 -3,-2.0 46,-2.6 1,-0.4 2,-0.1 0.330 80.4 127.3 99.3 -7.6 2.9 -9.2 16.2 63 72 A T B -K 107 0A 67 44,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.418 45.8-149.7 -77.4 159.1 3.9 -12.7 15.5 64 73 A V E + J 0 58A 10 42,-0.6 -42,-0.6 -6,-0.2 2,-0.2 -0.999 31.8 136.3-133.3 128.4 1.8 -15.0 13.3 65 74 A D E -EJ 21 57A 39 -8,-2.1 -8,-2.6 -2,-0.4 2,-0.3 -0.851 48.5 -78.4-155.0-171.3 1.6 -18.8 13.8 66 75 A G E + J 0 56A 12 -46,-2.7 2,-0.3 -2,-0.2 -10,-0.2 -0.807 40.3 175.9-106.6 145.1 -0.6 -21.8 13.9 67 76 A T E - J 0 55A 16 -12,-2.2 -12,-3.1 -2,-0.3 -47,-0.0 -0.921 32.7-153.7-138.3 162.6 -2.8 -23.0 16.8 68 76AA R + 0 0 164 -2,-0.3 2,-0.9 -14,-0.2 -1,-0.1 0.371 66.4 110.8-109.9 -0.9 -5.3 -25.7 17.6 69 77 A D > - 0 0 71 1,-0.2 3,-1.6 -14,-0.1 6,-0.1 -0.645 46.4-171.6 -84.0 103.9 -7.1 -23.5 20.2 70 78 A R T 3 S+ 0 0 132 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.634 86.8 58.2 -66.7 -15.1 -10.5 -22.5 19.0 71 79 A S T 3 S+ 0 0 95 3,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 0.400 75.9 115.0 -95.5 0.7 -10.9 -20.2 22.0 72 80 A D X - 0 0 22 -3,-1.6 3,-1.5 1,-0.2 4,-0.2 -0.607 61.6-146.9 -73.7 125.3 -7.8 -18.2 21.1 73 81 A P G > S+ 0 0 62 0, 0.0 3,-0.8 0, 0.0 20,-0.5 0.667 90.2 72.1 -69.2 -14.9 -8.9 -14.6 20.2 74 82 A G G 3 S+ 0 0 2 1,-0.2 -16,-2.2 19,-0.1 20,-0.1 0.515 82.6 69.7 -78.4 -4.8 -6.1 -14.2 17.6 75 83 A I G < S+ 0 0 1 -3,-1.5 2,-0.5 -18,-0.2 -28,-0.3 0.657 71.8 99.8 -88.5 -14.8 -7.8 -16.6 15.1 76 84 A Q < + 0 0 33 -3,-0.8 16,-2.4 -4,-0.2 17,-0.5 -0.602 55.6 179.2 -75.6 117.8 -10.7 -14.3 14.3 77 85 A L E -HL 45 91A 0 -32,-2.6 -32,-2.5 -2,-0.5 2,-0.4 -0.848 22.5-149.7-122.4 156.4 -9.9 -12.6 11.0 78 86 A Q E - 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