==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 31-DEC-11 3VB8 . COMPND 2 MOLECULE: ENGINEERED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR J.SEETHARAMAN,M.SU,E.PROCKO,D.BAKER,C.CICCOSANTI,S.SAHDEV,R. . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.4 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 . 106 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 2 1 1 0 0 0 0 1 1 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 . 0 2 4 0 0 2 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 8 A M 0 0 164 0, 0.0 78,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 130.3 -56.1 14.4 -2.9 2 9 A S + 0 0 81 1,-0.2 45,-0.1 76,-0.1 0, 0.0 0.407 360.0 18.9 -91.5-134.7 -54.0 14.6 0.3 3 10 A V - 0 0 81 43,-0.1 2,-0.3 45,-0.1 45,-0.2 -0.013 63.7-174.2 -40.4 130.3 -51.3 12.3 1.8 4 11 A V E -A 47 0A 26 43,-2.4 43,-2.0 -3,-0.1 2,-0.3 -0.873 24.6-108.5-125.6 158.0 -49.7 10.0 -0.7 5 12 A D E +A 46 0A 102 -2,-0.3 2,-0.4 41,-0.2 41,-0.2 -0.677 31.2 177.3 -94.0 143.8 -47.2 7.2 -0.1 6 13 A Y E -A 45 0A 7 39,-1.5 39,-2.8 -2,-0.3 2,-0.4 -0.970 8.6-165.2-144.7 122.4 -43.6 7.3 -1.1 7 14 A V E -A 44 0A 22 -2,-0.4 2,-0.3 37,-0.3 37,-0.2 -0.868 4.5-172.0-112.5 146.4 -41.2 4.6 -0.3 8 15 A V E -A 43 0A 1 35,-2.9 35,-2.1 -2,-0.4 2,-0.4 -0.919 27.3-108.6-130.8 160.2 -37.3 4.8 -0.4 9 16 A T E +A 42 0A 0 -2,-0.3 11,-0.8 33,-0.2 2,-0.3 -0.739 37.0 168.6 -92.6 139.1 -34.6 2.2 -0.1 10 17 A S E +C 19 0B 0 31,-4.2 2,-0.3 -2,-0.4 9,-0.2 -0.839 19.4 126.0-149.4 105.3 -32.5 2.3 3.0 11 18 A F E -C 18 0B 18 7,-2.2 7,-2.7 -2,-0.3 2,-0.4 -0.952 36.7-154.0-163.8 144.5 -30.1 -0.5 3.9 12 19 A N E +C 17 0B 16 109,-0.7 108,-1.6 106,-0.4 5,-0.2 -0.972 23.5 167.3-120.5 134.5 -26.5 -1.4 4.7 13 20 A S - 0 0 20 3,-3.1 48,-0.1 -2,-0.4 -2,-0.0 -0.631 49.2 -96.7-129.7-172.5 -25.0 -4.8 4.0 14 21 A T S S+ 0 0 108 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.944 122.6 28.0 -74.3 -50.2 -21.5 -6.2 3.9 15 22 A S S S+ 0 0 37 46,-0.1 47,-1.0 45,-0.1 46,-0.7 0.716 129.1 11.7 -84.6 -25.0 -21.1 -5.8 0.2 16 23 A Q E - D 0 60B 25 44,-0.3 -3,-3.1 45,-0.2 2,-0.3 -0.903 52.2-156.5-146.7 176.2 -23.4 -2.9 -0.5 17 24 A M E -CD 12 59B 3 42,-2.1 42,-3.1 -2,-0.3 2,-0.5 -0.956 2.8-163.8-158.9 139.6 -25.5 0.0 0.8 18 25 A S E -CD 11 58B 0 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.6 -0.939 10.8-177.8-131.1 107.7 -28.4 2.1 -0.4 19 26 A H E +CD 10 57B 0 38,-2.8 38,-3.5 -2,-0.5 2,-0.4 -0.924 10.5 164.1-110.0 111.2 -29.1 5.4 1.5 20 27 A E E + D 0 56B 8 -11,-0.8 2,-0.3 -2,-0.6 36,-0.2 -0.966 4.9 167.3-131.3 117.3 -32.2 7.4 0.3 21 28 A L E - D 0 55B 0 34,-2.1 34,-2.7 -2,-0.4 2,-0.3 -0.948 26.3-129.8-132.0 152.2 -33.8 10.2 2.2 22 29 A L E - D 0 54B 0 -2,-0.3 9,-1.2 9,-0.2 2,-0.4 -0.717 14.2-160.0 -99.5 152.8 -36.4 12.9 1.5 23 30 A F E -ED 30 53B 2 30,-1.8 30,-2.5 -2,-0.3 2,-0.5 -0.981 16.1-133.5-137.0 119.3 -36.0 16.6 2.3 24 31 A S E >> -ED 29 52B 8 5,-1.7 4,-1.5 -2,-0.4 5,-0.8 -0.595 6.2-161.3 -76.4 118.8 -38.9 19.0 2.6 25 32 A V T 45S+ 0 0 30 26,-1.8 -1,-0.2 -2,-0.5 27,-0.2 0.821 93.9 53.7 -68.1 -25.5 -38.3 22.2 0.7 26 33 A K T 45S+ 0 0 161 25,-0.8 -1,-0.1 1,-0.2 26,-0.1 0.969 116.2 27.7 -68.5 -87.6 -41.0 23.4 2.9 27 34 A K T 45S- 0 0 160 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.690 103.0-132.8 -48.8 -20.2 -40.0 22.7 6.5 28 35 A R T <5S+ 0 0 96 -4,-1.5 104,-0.7 1,-0.2 2,-0.3 0.934 73.3 78.9 62.0 48.5 -36.5 22.9 5.2 29 36 A W E >> +B 42 0A 34 5,-2.5 4,-2.7 -2,-0.3 5,-1.5 -0.898 17.2 176.1-126.5 109.3 -38.9 -1.9 7.6 38 45 A R T 345S+ 0 0 152 -2,-0.5 -1,-0.1 1,-0.3 5,-0.0 0.822 85.1 69.4 -73.4 -28.5 -35.6 -3.5 8.3 39 46 A R T 345S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 242,-0.2 0.716 120.9 16.3 -61.8 -18.5 -37.2 -6.7 7.0 40 47 A Y T <45S- 0 0 59 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.535 100.7-116.6-130.3 -15.7 -37.1 -5.1 3.6 41 48 A G T <5S+ 0 0 4 -4,-2.7 -31,-4.2 1,-0.3 2,-0.3 0.813 70.3 128.6 81.0 30.0 -34.7 -2.1 3.7 42 49 A L E < -AB 9 37A 12 -5,-1.5 -5,-2.5 -33,-0.3 2,-0.4 -0.801 46.2-157.1-119.5 160.5 -37.4 0.5 3.0 43 50 A L E -AB 8 36A 0 -35,-2.1 -35,-2.9 -2,-0.3 2,-0.4 -0.997 17.5-154.4-132.9 130.6 -38.6 3.8 4.5 44 51 A A E -AB 7 35A 15 -9,-2.4 -10,-1.6 -2,-0.4 -9,-1.2 -0.889 6.4-158.7-110.2 146.3 -42.2 4.9 3.8 45 52 A Y E -A 6 0A 0 -39,-2.8 -39,-1.5 -2,-0.4 2,-0.9 -0.940 19.1-147.4-127.6 145.7 -43.4 8.4 3.8 46 53 A M E -A 5 0A 107 -14,-0.4 2,-0.2 -2,-0.4 -41,-0.2 -0.845 36.3-172.2-107.7 86.1 -46.9 10.1 4.2 47 54 A L E -A 4 0A 2 -43,-2.0 -43,-2.4 -2,-0.9 3,-0.1 -0.589 16.6-149.9 -85.8 145.9 -46.3 13.1 2.0 48 55 A L - 0 0 94 -2,-0.2 27,-0.1 -45,-0.2 -46,-0.1 -0.861 47.9 -73.8-109.6 144.9 -48.6 16.0 1.5 49 56 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.021 90.6 83.8 -38.9 132.9 -48.7 17.9 -1.8 50 57 A G E S- F 0 75B 24 25,-0.9 25,-2.9 26,-0.1 2,-0.4 -0.975 77.3 -52.8 160.0-170.2 -45.5 20.0 -2.1 51 58 A N E + F 0 74B 75 -2,-0.3 -26,-1.8 23,-0.2 -25,-0.8 -0.833 47.9 170.5-104.8 139.2 -41.9 20.1 -3.1 52 59 A Y E -DF 24 73B 21 21,-1.4 21,-2.8 -2,-0.4 2,-0.4 -0.916 25.6-138.0-139.2 165.6 -39.2 17.8 -1.8 53 60 A I E -DF 23 72B 5 -30,-2.5 -30,-1.8 -2,-0.3 2,-0.7 -0.996 14.8-152.3-128.0 125.6 -35.6 16.8 -2.5 54 61 A K E -DF 22 71B 14 17,-3.7 17,-1.9 -2,-0.4 2,-0.3 -0.886 7.6-160.8-105.3 115.7 -34.5 13.2 -2.5 55 62 A F E -DF 21 70B 0 -34,-2.7 -34,-2.1 -2,-0.7 2,-0.4 -0.731 12.6-174.2 -90.7 140.0 -30.9 12.6 -1.6 56 63 A G E -DF 20 69B 0 13,-2.0 13,-2.8 -2,-0.3 2,-0.4 -0.940 15.7-179.9-144.3 126.3 -29.5 9.2 -2.6 57 64 A L E -DF 19 68B 1 -38,-3.5 -38,-2.8 -2,-0.4 2,-0.4 -0.945 8.0-174.6-118.4 138.0 -26.2 7.5 -2.0 58 65 A Y E -DF 18 67B 4 9,-1.6 9,-2.9 -2,-0.4 2,-0.4 -0.975 8.1-172.1-135.9 120.2 -25.6 4.0 -3.4 59 66 A V E -DF 17 66B 0 -42,-3.1 -42,-2.1 -2,-0.4 2,-0.9 -0.937 29.8-160.7-126.5 141.3 -22.4 2.1 -2.5 60 67 A L E > > -DF 16 65B 14 5,-1.8 5,-1.4 -2,-0.4 3,-0.9 -0.895 24.2-163.0-106.8 87.5 -20.6 -1.1 -3.6 61 68 A K G > 5S+ 0 0 71 -2,-0.9 3,-0.8 -46,-0.7 -45,-0.2 0.779 80.8 56.8 -47.2 -33.3 -18.5 -1.3 -0.5 62 69 A N G 3 5S+ 0 0 109 -47,-1.0 -1,-0.2 1,-0.2 -46,-0.1 0.859 109.4 41.8 -71.5 -36.7 -16.1 -3.8 -2.1 63 70 A Q G < 5S- 0 0 90 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.205 106.0-121.0 -95.5 16.7 -15.1 -1.6 -5.1 64 71 A D T < 5 + 0 0 48 -3,-0.8 29,-2.5 -4,-0.3 2,-0.4 0.781 64.3 152.1 50.4 24.5 -14.8 1.6 -3.1 65 72 A Y E < -FG 60 92B 17 -5,-1.4 -5,-1.8 27,-0.3 2,-0.4 -0.719 24.7-175.6 -90.9 135.4 -17.5 2.8 -5.5 66 73 A A E -FG 59 91B 0 25,-2.1 25,-2.5 -2,-0.4 2,-0.6 -0.987 11.6-166.4-135.7 128.3 -20.0 5.5 -4.5 67 74 A R E -FG 58 90B 16 -9,-2.9 -9,-1.6 -2,-0.4 2,-0.4 -0.919 11.5-177.0-116.1 107.1 -23.0 6.9 -6.4 68 75 A F E +FG 57 89B 1 21,-1.4 21,-2.6 -2,-0.6 2,-0.4 -0.892 5.1 176.4-106.8 132.6 -24.5 10.2 -5.0 69 76 A E E -FG 56 88B 27 -13,-2.8 -13,-2.0 -2,-0.4 2,-0.5 -0.996 20.8-156.8-140.2 137.0 -27.6 11.8 -6.5 70 77 A I E -FG 55 87B 0 17,-2.8 16,-2.8 -2,-0.4 17,-1.8 -0.936 23.7-177.0-109.0 128.3 -29.8 14.8 -5.7 71 78 A A E -FG 54 85B 5 -17,-1.9 -17,-3.7 -2,-0.5 2,-0.4 -0.991 26.1-129.4-135.6 137.6 -33.3 14.6 -7.2 72 79 A W E -FG 53 84B 84 12,-2.1 12,-0.7 -2,-0.4 2,-0.5 -0.633 24.0-172.4 -79.2 127.9 -36.3 16.9 -7.2 73 80 A V E -FG 52 83B 0 -21,-2.8 -21,-1.4 -2,-0.4 2,-0.4 -0.889 5.1-177.0-128.4 102.5 -39.5 15.2 -6.1 74 81 A H E -FG 51 82B 68 8,-1.9 8,-2.0 -2,-0.5 2,-0.6 -0.794 14.7-148.9-100.9 139.9 -42.7 17.2 -6.5 75 82 A V E -FG 50 81B 3 -25,-2.9 -25,-0.9 -2,-0.4 6,-0.2 -0.937 18.5-135.7-112.5 119.4 -46.2 16.1 -5.5 76 83 A D > - 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0 0 46 -3,-1.9 3,-1.5 -4,-0.2 -4,-0.0 -0.905 52.5-165.9-108.3 113.5 -15.1 17.8 7.6 103 110 A L T 3 S+ 0 0 164 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.521 87.0 71.8 -72.8 -3.8 -16.7 20.8 9.2 104 111 A N T 3 S+ 0 0 114 2,-0.1 -1,-0.3 -5,-0.1 -5,-0.0 0.337 75.0 106.3 -91.1 3.8 -16.5 22.4 5.8 105 112 A C S < S- 0 0 10 -3,-1.5 5,-0.1 -6,-0.2 38,-0.1 -0.736 85.8-100.1 -88.4 130.3 -19.3 20.1 4.6 106 113 A P >> - 0 0 27 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.143 34.7-115.9 -47.5 137.8 -22.7 21.7 4.1 107 114 A Y H 3> S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.884 112.2 48.2 -42.8 -56.2 -25.0 21.0 7.1 108 115 A V H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.822 113.2 47.5 -60.1 -34.6 -27.6 18.9 5.1 109 116 A L H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.847 112.5 50.2 -75.3 -33.4 -24.9 16.8 3.4 110 117 A A H X S+ 0 0 31 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.926 113.6 44.3 -67.7 -46.0 -23.2 16.2 6.7 111 118 A K H X S+ 0 0 46 -4,-2.8 4,-3.1 -5,-0.2 5,-0.2 0.910 110.5 57.0 -65.0 -41.9 -26.4 15.2 8.4 112 119 A F H X S+ 0 0 2 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.920 110.2 41.3 -56.4 -47.8 -27.3 13.1 5.4 113 120 A I H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.830 114.7 56.0 -69.3 -30.3 -24.1 11.0 5.6 114 121 A E H < S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 105.7 47.9 -66.5 -48.6 -24.5 10.9 9.4 115 122 A M H < S+ 0 0 14 -4,-3.1 9,-0.6 -5,-0.1 -1,-0.2 0.620 82.4 136.3 -70.0 -12.5 -28.0 9.4 9.3 116 123 A R < - 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