==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 29-OCT-10 3PG0 . COMPND 2 MOLECULE: THREEFOIL; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR Y.D.LOBSANOV,A.BROOM,P.L.HOWELL,D.R.ROSE,E.M.MEIERING . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 72.9 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 . 55 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 . 7 2 0 3 2 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 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 2 A D 0 0 111 0, 0.0 3,-0.1 0, 0.0 138,-0.0 0.000 360.0 360.0 360.0 -47.4 28.7 -9.5 -4.0 2 3 A G + 0 0 46 138,-0.7 41,-0.5 1,-0.5 2,-0.3 0.201 360.0 102.2 100.3 -6.1 26.5 -12.6 -4.2 3 4 A Y E -A 42 0A 50 137,-0.3 137,-2.9 39,-0.2 -1,-0.5 -0.732 54.8-160.8-111.0 160.1 24.2 -10.6 -2.0 4 5 A Y E -AB 41 139A 68 37,-2.2 37,-2.7 -2,-0.3 2,-0.4 -0.947 14.6-139.6-132.5 150.7 21.0 -8.7 -2.8 5 6 A K E - B 0 138A 39 133,-2.2 133,-2.7 -2,-0.3 2,-0.5 -0.893 19.7-145.7-100.8 148.9 18.9 -6.0 -1.3 6 7 A L E - B 0 137A 0 -2,-0.4 9,-2.4 33,-0.3 2,-0.5 -0.973 16.8-168.3-116.2 117.4 15.2 -6.5 -1.5 7 8 A V E -CB 14 136A 0 129,-2.4 129,-2.9 -2,-0.5 7,-0.2 -0.913 20.1-126.4-114.8 124.4 13.3 -3.3 -1.9 8 9 A A E > - B 0 135A 0 5,-2.2 4,-2.7 -2,-0.5 127,-0.2 -0.466 16.3-135.7 -69.1 137.8 9.5 -3.0 -1.6 9 10 A R T 4 S+ 0 0 82 125,-2.7 123,-0.2 122,-0.7 -1,-0.1 0.873 99.4 47.4 -64.2 -39.5 7.9 -1.4 -4.6 10 11 A H T 4 S+ 0 0 45 121,-1.4 -1,-0.2 124,-0.3 122,-0.1 0.898 126.8 22.6 -70.8 -38.4 5.5 0.9 -2.7 11 12 A S T 4 S- 0 0 22 120,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.699 85.0-135.7-107.1 -23.7 8.1 2.3 -0.2 12 13 A G < + 0 0 43 -4,-2.7 21,-0.3 1,-0.3 2,-0.1 0.596 64.6 129.3 71.1 10.7 11.5 1.9 -1.8 13 14 A K - 0 0 40 -5,-0.2 -5,-2.2 19,-0.1 2,-0.3 -0.450 55.2-108.2 -93.3 172.0 12.7 0.6 1.6 14 15 A A E -CD 7 31A 0 17,-2.7 17,-2.0 -7,-0.2 2,-0.4 -0.722 21.7-104.2-110.5 150.3 14.6 -2.6 2.3 15 16 A L E - D 0 30A 0 -9,-2.4 2,-0.4 -2,-0.3 -9,-0.3 -0.563 54.3-177.4 -65.2 124.3 14.0 -6.0 3.9 16 17 A D E - D 0 29A 6 13,-2.6 13,-3.1 -2,-0.4 2,-0.7 -0.978 35.6-133.4-141.2 131.3 15.7 -5.6 7.2 17 18 A V E > - D 0 28A 0 21,-2.6 3,-2.2 -2,-0.4 11,-0.2 -0.824 53.8-100.3 -87.8 119.1 16.5 -7.7 10.3 18 19 A E G > S- 0 0 74 9,-2.7 3,-1.7 -2,-0.7 9,-0.1 -0.037 89.3 -18.5 -54.7 120.5 15.6 -5.4 13.1 19 20 A N G 3 S- 0 0 145 1,-0.3 -1,-0.3 7,-0.1 7,-0.0 0.681 110.4 -79.3 60.5 21.4 18.5 -3.7 14.8 20 21 A A G < S+ 0 0 43 -3,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.741 75.9 169.3 59.9 27.4 21.0 -6.2 13.4 21 22 A S < - 0 0 41 -3,-1.7 -1,-0.2 1,-0.1 37,-0.1 -0.503 28.8-158.0 -64.9 136.0 20.1 -8.8 16.0 22 23 A T + 0 0 75 -2,-0.2 -1,-0.1 35,-0.1 3,-0.1 0.367 51.6 128.4 -90.2 3.6 21.6 -12.1 15.1 23 24 A S S > S- 0 0 67 1,-0.1 3,-2.1 2,-0.1 2,-0.2 -0.265 70.5-108.5 -67.9 142.2 19.0 -13.9 17.3 24 25 A D T 3 S+ 0 0 75 1,-0.2 54,-0.2 54,-0.1 -1,-0.1 -0.510 111.9 24.3 -54.1 126.8 16.8 -16.7 16.4 25 26 A G T 3 S+ 0 0 35 52,-2.7 -1,-0.2 1,-0.3 53,-0.1 0.374 82.1 153.8 92.7 -2.9 13.4 -15.0 16.2 26 27 A A < - 0 0 13 -3,-2.1 51,-2.1 51,-0.3 -1,-0.3 -0.316 50.0-105.7 -58.2 142.5 14.6 -11.5 15.5 27 28 A N B -E 76 0A 36 49,-0.2 -9,-2.7 -9,-0.1 2,-0.5 -0.413 21.8-138.9 -77.5 146.6 11.9 -9.6 13.6 28 29 A V E +D 17 0A 0 47,-1.8 94,-1.8 94,-0.3 47,-0.3 -0.903 35.6 158.8-104.5 131.7 12.0 -8.8 9.9 29 30 A I E -DF 16 121A 5 -13,-3.1 -13,-2.6 -2,-0.5 2,-0.4 -0.678 42.4 -95.6-136.1-178.7 10.8 -5.3 9.0 30 31 A Q E +D 15 0A 0 90,-2.1 89,-2.9 -2,-0.2 90,-0.3 -0.900 47.1 164.0-105.5 141.4 11.1 -2.7 6.3 31 32 A Y E -D 14 0A 107 -17,-2.0 -17,-2.7 -2,-0.4 3,-0.1 -0.982 45.9 -85.6-156.9 145.6 13.7 0.1 6.8 32 33 A S - 0 0 51 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 -0.253 58.5-104.5 -48.8 134.6 15.5 2.7 4.7 33 34 A Y + 0 0 68 -21,-0.3 -1,-0.1 1,-0.2 -17,-0.0 -0.490 49.4 160.7 -73.9 126.1 18.5 1.1 3.1 34 35 A S - 0 0 97 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.368 62.2-105.1-118.4 -5.2 21.9 2.0 4.7 35 36 A G + 0 0 30 1,-0.2 -2,-0.1 4,-0.1 5,-0.1 0.565 64.7 161.1 85.1 10.8 23.9 -0.9 3.3 36 37 A G > - 0 0 18 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 -0.312 51.8-122.6 -61.6 146.5 23.9 -2.6 6.7 37 38 A D G > S+ 0 0 81 1,-0.3 20,-1.3 2,-0.2 3,-1.1 0.734 113.2 66.0 -62.9 -20.8 24.7 -6.3 6.6 38 39 A N G 3 S+ 0 0 22 1,-0.2 -21,-2.6 18,-0.2 -1,-0.3 0.401 100.6 50.8 -79.5 4.3 21.3 -6.9 8.2 39 40 A Q G < S+ 0 0 2 -3,-2.1 2,-0.4 -23,-0.2 -33,-0.3 0.138 94.1 88.7-123.2 12.7 19.8 -5.5 5.0 40 41 A Q < - 0 0 15 -3,-1.1 16,-2.9 -35,-0.1 2,-0.4 -0.958 57.4-166.8-118.7 137.4 21.7 -7.8 2.7 41 42 A W E -AG 4 55A 0 -37,-2.7 -37,-2.2 -2,-0.4 2,-0.6 -0.966 18.0-140.6-130.5 132.6 20.4 -11.3 1.7 42 43 A R E -AG 3 54A 72 12,-2.7 12,-2.1 -2,-0.4 2,-1.0 -0.838 19.1-144.5 -88.9 124.2 22.0 -14.2 0.0 43 44 A L E - G 0 53A 31 -2,-0.6 2,-0.6 -41,-0.5 10,-0.2 -0.767 19.4-166.0 -93.0 99.7 19.6 -15.9 -2.4 44 45 A V E - G 0 52A 37 8,-2.6 8,-2.1 -2,-1.0 2,-0.3 -0.777 15.3-133.3 -99.8 114.1 20.4 -19.6 -2.1 45 46 A D E + G 0 51A 104 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.477 25.4 175.8 -69.7 122.8 18.9 -21.8 -4.8 46 47 A L E - 0 0 69 4,-3.0 5,-0.2 -2,-0.3 -1,-0.1 0.401 50.3-106.4-104.3 -2.1 17.2 -24.9 -3.4 47 48 A G E > S+ G 0 50A 28 3,-0.7 3,-1.8 1,-0.0 -1,-0.2 -0.001 95.6 61.0 90.3 157.5 16.0 -26.2 -6.8 48 49 A D T 3 S- 0 0 151 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.686 130.4 -61.7 62.7 21.6 12.4 -26.2 -8.2 49 50 A G T 3 S+ 0 0 33 1,-0.3 41,-1.4 40,-0.1 2,-0.3 0.443 107.0 124.7 86.1 0.8 12.2 -22.4 -8.0 50 51 A Y E < +GH 47 89A 41 -3,-1.8 -4,-3.0 39,-0.2 -3,-0.7 -0.697 34.6 179.4 -96.0 148.2 12.6 -22.4 -4.2 51 52 A Y E -GH 45 88A 63 37,-1.8 37,-2.8 -2,-0.3 2,-0.4 -0.964 24.8-137.1-137.1 152.5 15.3 -20.4 -2.3 52 53 A K E -G 44 0A 51 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.5 -0.889 21.2-144.7-102.0 148.2 16.3 -19.7 1.2 53 54 A L E -G 43 0A 0 -2,-0.4 9,-2.5 33,-0.3 2,-0.5 -0.967 15.7-165.1-115.4 118.5 17.2 -16.1 1.9 54 55 A V E -GI 42 61A 19 -12,-2.1 -12,-2.7 -2,-0.5 7,-0.2 -0.899 18.1-127.4-113.8 123.9 20.1 -15.7 4.4 55 56 A A E >> -G 41 0A 0 5,-2.6 4,-2.8 -2,-0.5 3,-0.7 -0.479 14.0-139.2 -72.5 133.7 20.8 -12.5 6.2 56 57 A R T 34 S+ 0 0 91 -16,-2.9 -18,-0.2 -19,-0.6 -1,-0.1 0.854 97.5 51.0 -61.7 -37.4 24.4 -11.4 5.8 57 58 A H T 34 S+ 0 0 39 -20,-1.3 -1,-0.2 -17,-0.3 -19,-0.1 0.748 127.0 18.7 -76.0 -22.4 24.9 -10.2 9.3 58 59 A S T <4 S- 0 0 22 -3,-0.7 -2,-0.2 -21,-0.2 -1,-0.2 0.616 85.0-130.7-124.6 -22.9 23.6 -13.3 11.1 59 60 A G < + 0 0 52 -4,-2.8 21,-0.4 1,-0.3 2,-0.2 0.648 67.0 129.7 70.6 14.6 23.6 -16.3 8.6 60 61 A K - 0 0 37 -5,-0.3 -5,-2.6 19,-0.1 -1,-0.3 -0.622 54.5-113.8-101.2 162.0 20.0 -16.9 9.7 61 62 A A E -IJ 54 78A 0 17,-2.6 17,-2.0 -7,-0.2 2,-0.3 -0.672 22.6-100.7-107.7 152.2 17.1 -17.4 7.3 62 63 A L E - J 0 77A 0 -9,-2.5 2,-0.4 -2,-0.3 -9,-0.3 -0.502 54.9-179.9 -64.9 126.1 13.9 -15.6 6.3 63 64 A D E - J 0 76A 8 13,-2.7 13,-3.2 -2,-0.3 2,-0.7 -0.982 36.7-130.2-144.4 132.1 11.3 -17.6 8.2 64 65 A V E > - J 0 75A 0 21,-2.5 3,-2.3 -2,-0.4 11,-0.2 -0.830 52.3-103.3 -85.9 116.4 7.5 -17.5 8.6 65 66 A E G > S- 0 0 83 9,-2.5 3,-1.7 -2,-0.7 9,-0.1 -0.081 91.3 -14.6 -50.0 121.4 7.1 -17.6 12.4 66 67 A N G 3 S- 0 0 154 1,-0.3 -1,-0.3 7,-0.1 3,-0.1 0.707 111.0 -81.4 59.2 23.9 6.1 -21.1 13.7 67 68 A A G < S+ 0 0 44 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.780 73.4 176.1 53.3 30.0 5.1 -22.1 10.2 68 69 A S < - 0 0 43 -3,-1.7 -1,-0.2 6,-0.2 37,-0.1 -0.401 24.5-157.4 -62.0 139.1 1.8 -20.4 10.6 69 70 A T + 0 0 90 -3,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.322 52.1 119.8-100.1 9.6 -0.3 -20.5 7.3 70 71 A S S > S- 0 0 55 1,-0.1 3,-2.1 2,-0.1 2,-0.2 -0.401 74.9-106.0 -80.3 146.8 -2.4 -17.4 8.2 71 72 A D T 3 S+ 0 0 63 1,-0.3 54,-0.2 -2,-0.1 -1,-0.1 -0.540 114.4 26.6 -56.7 129.2 -2.7 -14.2 6.3 72 73 A G T 3 S+ 0 0 37 52,-3.2 -1,-0.3 1,-0.3 53,-0.1 0.454 81.8 153.6 89.9 0.9 -0.7 -11.9 8.5 73 74 A A < - 0 0 7 -3,-2.1 51,-2.0 51,-0.3 -1,-0.3 -0.382 51.2-102.1 -60.2 142.2 1.6 -14.5 10.1 74 75 A N B -K 123 0A 38 49,-0.2 -9,-2.5 -9,-0.1 2,-0.5 -0.376 24.2-140.7 -71.6 145.8 4.8 -12.8 11.1 75 76 A V E + J 0 64A 0 47,-1.8 -47,-1.8 -47,-0.3 47,-0.3 -0.911 34.9 153.7-106.1 131.1 8.1 -13.0 9.2 76 77 A I E -EJ 27 63A 9 -13,-3.2 -13,-2.7 -2,-0.5 2,-0.4 -0.684 43.3 -98.4-137.0-176.2 11.3 -13.3 11.2 77 78 A Q E + J 0 62A 0 -51,-2.1 -52,-2.7 -15,-0.2 2,-0.3 -0.926 43.9 163.5-110.4 147.1 14.8 -14.7 10.9 78 79 A Y E - J 0 61A 108 -17,-2.0 -17,-2.6 -2,-0.4 -54,-0.1 -0.979 47.4 -81.7-156.6 149.3 15.7 -18.1 12.3 79 80 A S - 0 0 49 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 -0.259 58.9-106.1 -49.4 136.6 18.4 -20.7 12.0 80 81 A Y + 0 0 71 -21,-0.4 -1,-0.1 1,-0.1 -17,-0.0 -0.527 48.6 160.4 -74.2 130.3 17.8 -22.7 8.9 81 82 A S - 0 0 105 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.231 64.4 -99.6-128.8 10.0 16.5 -26.2 9.4 82 83 A G + 0 0 31 1,-0.2 -2,-0.1 4,-0.1 5,-0.1 0.589 66.0 160.5 83.0 12.0 15.0 -26.9 5.9 83 84 A G > - 0 0 18 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 -0.311 51.1-124.2 -66.2 148.6 11.4 -26.1 7.0 84 85 A D G > S+ 0 0 79 1,-0.3 20,-1.2 2,-0.2 3,-1.1 0.750 113.6 64.0 -63.7 -23.8 8.9 -25.3 4.2 85 86 A N G 3 S+ 0 0 25 1,-0.2 -21,-2.5 18,-0.2 -1,-0.3 0.382 101.2 52.7 -77.4 2.2 8.2 -22.1 6.2 86 87 A Q G < S+ 0 0 2 -3,-2.1 2,-0.4 -23,-0.2 -33,-0.3 0.141 94.1 85.8-119.2 12.8 11.9 -21.2 5.4 87 88 A Q < - 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