==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 29-JUN-11 3SNV . COMPND 2 MOLECULE: SYMFOIL-4T/PERMUTATION #1 SYNTHETIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.BLABER,L.LONGO,J.LEE . 249 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 72.7 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 . 113 45.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 36 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 11 5 2 6 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 20 A G 0 0 26 0, 0.0 2,-0.3 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 134.6 -19.0 27.4 4.6 2 21 A Q - 0 0 8 88,-0.1 121,-2.8 15,-0.0 2,-0.5 -0.780 360.0-118.9-117.0 155.6 -20.7 26.1 1.5 3 22 A Y E -AB 15 122A 22 12,-3.7 12,-1.4 -2,-0.3 119,-0.2 -0.804 34.1-114.0 -92.8 132.4 -22.2 22.7 0.5 4 23 A L E -A 14 0A 0 117,-3.0 2,-0.4 -2,-0.5 117,-0.3 -0.407 39.6-168.3 -62.6 135.3 -20.7 21.0 -2.6 5 24 A R E -A 13 0A 47 8,-2.6 8,-2.0 -2,-0.1 2,-0.6 -0.992 21.9-160.3-136.3 132.5 -23.2 20.8 -5.4 6 25 A I E -A 12 0A 0 16,-2.1 6,-0.2 -2,-0.4 38,-0.1 -0.951 24.2-148.0-109.2 114.2 -23.4 19.0 -8.7 7 26 A N > - 0 0 22 4,-2.9 3,-2.1 -2,-0.6 49,-0.1 -0.389 24.0-111.7 -81.3 157.9 -25.9 20.6 -11.1 8 27 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 201,-0.0 0.786 117.6 59.3 -56.9 -30.1 -28.1 18.8 -13.7 9 28 A D T 3 S- 0 0 121 2,-0.1 3,-0.1 1,-0.1 47,-0.1 0.505 122.1-106.2 -80.7 -4.4 -26.1 20.5 -16.4 10 29 A G S < S+ 0 0 11 -3,-2.1 46,-2.4 1,-0.4 2,-0.1 0.296 77.7 129.2 102.8 -8.8 -22.9 18.9 -15.1 11 30 A T B -C 55 0A 68 44,-0.2 -4,-2.9 -5,-0.1 2,-0.4 -0.470 46.7-143.5 -77.8 151.1 -21.3 22.0 -13.5 12 31 A V E +A 6 0A 13 42,-0.8 84,-0.7 -6,-0.2 2,-0.2 -0.962 32.4 139.9-119.6 132.7 -20.1 21.9 -9.9 13 32 A D E -AD 5 95A 38 -8,-2.0 -8,-2.6 -2,-0.4 2,-0.3 -0.836 43.3 -94.0-148.7-171.9 -20.3 24.8 -7.4 14 33 A G E +A 4 0A 10 80,-2.2 2,-0.3 -2,-0.2 -10,-0.2 -0.812 32.4 178.1-111.7 156.4 -21.0 25.6 -3.8 15 34 A T E -A 3 0A 22 -12,-1.4 -12,-3.7 -2,-0.3 79,-0.0 -0.986 30.1-148.6-154.7 149.5 -24.2 26.8 -2.1 16 35 A R S S+ 0 0 161 -2,-0.3 2,-0.9 -14,-0.2 -1,-0.1 0.530 72.0 103.3 -94.4 -9.4 -25.3 27.6 1.4 17 36 A D > - 0 0 74 1,-0.2 3,-1.4 -14,-0.1 -15,-0.0 -0.656 51.0-170.6 -76.8 105.1 -28.9 26.4 0.8 18 37 A R T 3 S+ 0 0 100 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.595 81.1 69.0 -72.3 -8.9 -29.0 23.0 2.6 19 38 A S T 3 S+ 0 0 93 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.443 71.0 117.5 -89.8 -0.8 -32.4 22.4 1.0 20 39 A D X - 0 0 25 -3,-1.4 3,-0.6 1,-0.1 4,-0.1 -0.421 61.7-145.0 -63.7 141.8 -30.8 22.0 -2.4 21 40 A T T 3 S+ 0 0 43 1,-0.2 3,-0.3 2,-0.1 20,-0.3 0.492 90.4 65.9 -88.4 -3.5 -31.4 18.5 -3.8 22 41 A H T 3 S+ 0 0 6 1,-0.2 -16,-2.1 19,-0.1 -1,-0.2 0.155 83.7 71.5-108.5 17.3 -28.0 18.4 -5.6 23 42 A I S < S+ 0 0 0 -3,-0.6 98,-0.5 -18,-0.2 2,-0.4 0.447 70.0 103.8-108.8 -5.3 -25.8 18.4 -2.5 24 43 A Q E -E 120 0A 20 -3,-0.3 16,-1.5 96,-0.1 17,-0.5 -0.672 54.9-166.5 -81.6 128.6 -26.6 14.9 -1.3 25 44 A F E -EF 119 39A 0 94,-2.5 94,-2.7 -2,-0.4 2,-0.7 -0.939 21.6-147.9-123.9 137.1 -23.8 12.4 -2.1 26 45 A Q E - F 0 38A 81 12,-3.4 12,-2.2 -2,-0.4 2,-0.8 -0.907 16.6-156.4 -95.4 115.5 -23.4 8.7 -2.1 27 46 A I E - F 0 37A 50 -2,-0.7 10,-0.2 90,-0.4 -2,-0.0 -0.840 12.1-166.8 -92.6 111.2 -19.9 7.7 -1.1 28 47 A S E - F 0 36A 27 8,-1.5 8,-1.5 -2,-0.8 -2,-0.0 -0.877 21.3-120.3-106.5 120.3 -19.2 4.2 -2.6 29 48 A P E + F 0 35A 113 0, 0.0 6,-0.2 0, 0.0 3,-0.0 -0.186 30.4 176.0 -54.9 145.5 -16.1 2.3 -1.4 30 49 A E E - 0 0 57 4,-2.2 5,-0.2 1,-0.1 2,-0.1 0.465 42.3-109.8-129.6 -14.3 -13.7 1.4 -4.2 31 50 A G E > S+ F 0 34A 41 3,-0.8 3,-1.6 1,-0.0 -1,-0.1 -0.080 95.0 71.4 88.7 161.3 -10.8 -0.3 -2.4 32 51 A N T 3 S- 0 0 152 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.519 130.0 -71.9 74.4 6.2 -7.3 1.1 -2.0 33 52 A G T 3 S+ 0 0 61 1,-0.3 36,-0.7 35,-0.1 2,-0.3 0.664 107.9 130.9 74.7 18.2 -8.9 3.5 0.5 34 53 A E E < +FG 31 68A 34 -3,-1.6 -4,-2.2 34,-0.2 -3,-0.8 -0.739 33.6 178.6-104.6 154.3 -10.4 5.1 -2.6 35 54 A V E -FG 29 67A 18 32,-2.3 32,-2.6 -2,-0.3 2,-0.4 -0.874 25.6-118.4-143.5 171.0 -14.1 6.1 -3.2 36 55 A L E -FG 28 66A 0 -8,-1.5 -8,-1.5 -2,-0.3 2,-0.6 -0.923 16.6-145.5-113.1 146.6 -16.5 7.6 -5.6 37 56 A L E -F 27 0A 0 28,-0.5 9,-3.0 -2,-0.4 2,-0.5 -0.921 23.9-177.1-113.0 106.1 -18.6 10.7 -4.9 38 57 A K E -FH 26 45A 58 -12,-2.2 -12,-3.4 -2,-0.6 2,-0.8 -0.908 25.4-139.3-113.1 121.0 -22.0 10.4 -6.5 39 58 A S E >>> -FH 25 44A 0 5,-3.4 4,-1.9 -2,-0.5 5,-1.0 -0.686 16.9-155.4 -76.2 111.6 -24.6 13.1 -6.5 40 59 A T T 345S+ 0 0 28 -16,-1.5 -1,-0.2 -2,-0.8 -15,-0.1 0.756 84.0 64.0 -66.8 -26.2 -27.8 11.0 -6.0 41 60 A E T 345S+ 0 0 14 -17,-0.5 -1,-0.2 -20,-0.3 -19,-0.1 0.868 122.9 15.0 -65.1 -36.8 -30.1 13.5 -7.5 42 61 A T T <45S- 0 0 0 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.418 98.2-119.3-121.4 -3.7 -28.6 13.3 -11.0 43 62 A G T <5 + 0 0 8 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.744 64.7 144.9 69.8 24.0 -26.5 10.1 -10.8 44 63 A Q E < -H 39 0A 8 -5,-1.0 -5,-3.4 -38,-0.1 2,-0.3 -0.769 43.2-138.1-100.5 140.4 -23.4 12.1 -11.6 45 64 A Y E -HI 38 57A 21 12,-4.0 12,-1.8 -2,-0.4 -7,-0.2 -0.737 25.8-109.9 -94.0 142.2 -19.9 11.5 -10.1 46 65 A L E - I 0 56A 0 -9,-3.0 2,-0.4 -2,-0.3 -9,-0.3 -0.514 41.3-171.2 -67.9 133.3 -17.6 14.3 -9.0 47 66 A R E - I 0 55A 42 8,-2.4 8,-2.2 -2,-0.2 2,-0.6 -0.994 20.1-157.9-134.3 131.3 -14.7 14.7 -11.3 48 67 A I E - I 0 54A 0 16,-1.5 6,-0.2 -2,-0.4 38,-0.1 -0.949 20.7-147.2-105.3 119.4 -11.5 16.7 -11.1 49 68 A N > - 0 0 28 4,-2.7 3,-2.3 -2,-0.6 49,-0.1 -0.553 23.0-114.9 -84.2 149.7 -9.9 17.3 -14.6 50 69 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 114.4 61.5 -54.6 -25.6 -6.2 17.6 -15.0 51 70 A D T 3 S- 0 0 125 2,-0.1 47,-0.0 1,-0.0 -3,-0.0 0.587 122.8-101.7 -82.0 -10.0 -6.5 21.2 -16.1 52 71 A G S < S+ 0 0 13 -3,-2.3 46,-2.4 1,-0.4 2,-0.1 0.275 80.8 124.8 112.7 -10.0 -8.0 22.1 -12.7 53 72 A T B -J 97 0A 70 44,-0.2 -4,-2.7 -5,-0.1 2,-0.4 -0.442 47.3-146.0 -77.0 155.1 -11.7 22.4 -13.5 54 73 A V E + I 0 48A 12 42,-0.7 -42,-0.8 -6,-0.2 2,-0.2 -0.987 30.7 144.0-124.6 134.2 -14.3 20.3 -11.6 55 74 A D E -CI 11 47A 40 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.4 -0.827 41.2 -91.0-150.4-171.8 -17.4 18.9 -13.1 56 75 A G E + I 0 46A 9 -46,-2.4 2,-0.3 -2,-0.2 -10,-0.2 -0.873 32.0 174.1-115.7 146.3 -19.9 16.0 -13.1 57 76 A T E - I 0 45A 20 -12,-1.8 -12,-4.0 -2,-0.4 -47,-0.0 -0.996 29.7-156.2-146.5 147.9 -20.0 12.8 -15.2 58 76AA R + 0 0 87 -2,-0.3 2,-1.2 -14,-0.2 -1,-0.1 0.446 65.9 113.8 -95.9 -4.2 -22.1 9.6 -15.2 59 77 A D > - 0 0 71 1,-0.2 3,-1.4 -14,-0.1 6,-0.1 -0.563 46.3-173.6 -72.2 97.8 -19.2 7.8 -16.9 60 78 A R T 3 S+ 0 0 122 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.676 80.9 61.7 -68.3 -17.6 -18.3 5.3 -14.2 61 79 A S T 3 S+ 0 0 95 -3,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.575 76.2 115.5 -83.9 -10.2 -15.3 4.2 -16.3 62 80 A D X - 0 0 25 -3,-1.4 3,-1.0 1,-0.1 4,-0.1 -0.420 62.0-146.4 -64.8 130.2 -13.7 7.7 -16.2 63 81 A T T 3 S+ 0 0 62 1,-0.2 3,-0.5 -2,-0.2 20,-0.4 0.513 88.8 69.3 -79.2 -4.8 -10.5 7.6 -14.2 64 82 A H T 3 S+ 0 0 43 1,-0.2 -16,-1.5 18,-0.1 -1,-0.2 0.272 81.8 72.3 -99.7 11.1 -10.9 11.0 -12.7 65 83 A I S < S+ 0 0 0 -3,-1.0 -28,-0.5 -18,-0.2 2,-0.4 0.460 70.9 104.6-101.1 -2.8 -13.8 10.2 -10.4 66 84 A Q E -G 36 0A 30 -3,-0.5 16,-2.3 -30,-0.1 17,-0.5 -0.672 51.9-175.3 -82.4 128.4 -11.7 8.2 -8.0 67 85 A F E -GK 35 81A 0 -32,-2.6 -32,-2.3 -2,-0.4 2,-0.5 -0.874 24.7-143.5-124.0 153.2 -11.0 10.0 -4.7 68 86 A Q E -GK 34 80A 67 12,-2.2 12,-2.3 -2,-0.3 2,-0.6 -0.980 16.5-149.5-111.2 120.6 -8.9 9.5 -1.6 69 87 A I E - K 0 79A 51 -36,-0.7 10,-0.2 -2,-0.5 -2,-0.0 -0.816 16.6-171.9 -86.7 119.9 -10.6 10.9 1.6 70 88 A S E - K 0 78A 19 8,-2.1 8,-2.5 -2,-0.6 2,-0.1 -0.952 16.8-135.3-119.8 114.5 -7.9 12.0 4.0 71 89 A P E - K 0 77A 102 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.346 18.9-176.4 -67.0 143.1 -8.8 13.0 7.6 72 90 A E - 0 0 72 4,-3.3 4,-0.2 1,-0.3 5,-0.1 -0.245 42.9-100.6-139.6 45.8 -7.3 16.1 9.0 73 91 A G S > S+ 0 0 51 1,-0.1 3,-1.8 2,-0.1 -1,-0.3 0.386 98.8 65.1 57.5 163.6 -8.5 16.4 12.6 74 92 A N T 3 S- 0 0 151 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.516 130.1 -67.7 69.8 4.0 -11.3 18.6 14.0 75 93 A G T 3 S+ 0 0 59 1,-0.3 36,-0.6 35,-0.0 -1,-0.3 0.168 103.8 129.4 101.1 -14.8 -13.7 16.5 11.9 76 94 A E E < - L 0 110A 35 -3,-1.8 -4,-3.3 -4,-0.2 -1,-0.3 -0.393 34.2-174.2 -80.3 148.1 -12.3 17.9 8.6 77 95 A V E -KL 71 109A 15 32,-3.0 32,-3.1 -6,-0.3 2,-0.3 -0.918 17.6-133.0-131.5 161.6 -11.2 15.8 5.6 78 96 A L E -K 70 0A 0 -8,-2.5 -8,-2.1 -2,-0.3 2,-0.6 -0.854 11.8-144.5-109.6 153.5 -9.5 16.5 2.3 79 97 A L E -K 69 0A 0 28,-0.5 9,-2.5 -2,-0.3 2,-0.5 -0.900 19.8-170.7-121.3 101.9 -10.8 15.1 -1.0 80 98 A K E -KM 68 87A 48 -12,-2.3 -12,-2.2 -2,-0.6 2,-0.7 -0.812 25.0-128.6-101.4 125.7 -7.9 14.2 -3.4 81 99 A S E > -K 67 0A 0 5,-3.8 4,-2.7 -2,-0.5 3,-0.5 -0.581 20.4-152.6 -63.9 110.6 -8.4 13.3 -7.0 82 100 A T T 4 S+ 0 0 37 -16,-2.3 -1,-0.2 -2,-0.7 -15,-0.1 0.901 88.7 49.2 -52.1 -47.5 -6.4 10.1 -7.2 83 101 A E T 4 S+ 0 0 106 -17,-0.5 -1,-0.2 -20,-0.4 -19,-0.1 0.742 126.2 22.7 -73.4 -25.9 -5.5 10.4 -10.9 84 102 A T T 4 S- 0 0 20 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.528 95.3-125.5-118.1 -12.6 -4.3 14.0 -10.9 85 103 A G < + 0 0 27 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.612 61.5 143.1 76.2 12.8 -3.3 14.5 -7.2 86 107 A Q - 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