==== 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 19-SEP-07 2JVF . COMPND 2 MOLECULE: DE NOVO PROTEIN M7; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR C.STORDEUR,R.DALLUEGE,O.BIRKENMEIER,H.WIENK,R.RUDOLPH, . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95101.1 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 . 33 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 . 30 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 0 1 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 0 0 0 0 0 3 1 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 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 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 H 0 0 86 0, 0.0 2,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -1.0 0.3 14.5 1.3 2 0 A M - 0 0 159 1,-0.2 22,-0.1 22,-0.1 0, 0.0 -0.529 360.0 -38.8 63.3-101.8 2.6 16.1 4.1 3 1 A K S S+ 0 0 67 -2,-0.7 2,-0.2 20,-0.1 -1,-0.2 -0.417 102.7 111.6-150.6 69.4 3.3 12.9 6.3 4 2 A V + 0 0 13 -3,-0.4 19,-1.7 50,-0.2 2,-0.6 -0.744 30.6 163.3-141.9 89.3 -0.0 10.8 6.6 5 3 A D E -AB 22 53A 24 48,-1.2 48,-2.2 -2,-0.2 2,-1.1 -0.941 22.5-161.1-110.6 112.0 0.2 7.4 4.7 6 4 A I E -AB 21 52A 14 15,-1.2 15,-2.4 -2,-0.6 2,-0.6 -0.741 22.4-178.7 -89.7 90.3 -2.5 4.8 5.7 7 5 A T E -AB 20 51A 28 44,-2.3 44,-2.8 -2,-1.1 2,-0.6 -0.830 11.0-170.4-104.9 116.9 -0.7 1.6 4.5 8 6 A I E -AB 19 50A 3 11,-2.7 11,-2.0 -2,-0.6 2,-0.7 -0.888 4.9-175.6-110.8 106.2 -2.6 -1.8 4.9 9 7 A K E -AB 18 49A 57 40,-2.5 40,-2.6 -2,-0.6 2,-0.7 -0.882 7.7-166.6 -94.1 109.5 -0.5 -5.1 4.1 10 8 A I E -AB 17 48A 21 7,-2.7 7,-2.5 -2,-0.7 2,-0.8 -0.858 5.6-158.4 -89.3 110.9 -3.0 -8.1 4.4 11 9 A Q E +AB 16 47A 105 36,-2.4 36,-1.0 -2,-0.7 5,-0.2 -0.820 27.3 172.7 -86.8 107.7 -0.8 -11.3 4.6 12 10 A R E > -A 15 0A 92 3,-2.7 2,-1.2 -2,-0.8 3,-0.6 -0.346 46.4 -57.1-103.6-175.3 -3.3 -14.1 3.4 13 11 A D T 3 S- 0 0 88 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 -0.537 123.0 -22.1 -64.1 91.2 -3.3 -17.8 2.5 14 12 A G T 3 S+ 0 0 84 -2,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.661 128.3 74.5 75.9 18.8 -0.6 -17.7 -0.4 15 13 A Q E < -A 12 0A 117 -3,-0.6 -3,-2.7 2,-0.0 2,-0.4 -0.924 62.0-144.8-160.0 131.5 -1.0 -13.9 -1.3 16 14 A E E -A 11 0A 104 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.840 15.9-163.0 -91.3 136.2 -0.0 -10.4 0.1 17 15 A I E -A 10 0A 65 -7,-2.5 -7,-2.7 -2,-0.4 2,-0.5 -0.942 10.0-173.7-120.4 106.0 -2.7 -7.7 -0.6 18 16 A E E +A 9 0A 105 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.893 8.9 170.6-105.8 125.9 -1.2 -4.1 -0.2 19 17 A I E -A 8 0A 79 -11,-2.0 -11,-2.7 -2,-0.5 2,-0.4 -0.990 12.4-163.3-132.9 126.1 -3.4 -0.9 -0.4 20 18 A D E -A 7 0A 65 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.926 9.6-172.9-110.9 129.7 -2.2 2.7 0.6 21 19 A I E +A 6 0A 66 -15,-2.4 -15,-1.2 -2,-0.4 2,-0.5 -0.772 15.8 178.0-116.6 82.6 -4.5 5.7 1.3 22 20 A R E +A 5 0A 143 -2,-0.5 2,-0.3 -17,-0.2 -17,-0.2 -0.789 15.4 155.1 -96.8 121.3 -2.0 8.7 1.7 23 21 A V - 0 0 42 -19,-1.7 2,-0.5 -2,-0.5 -20,-0.1 -0.997 40.6-159.4-150.9 138.6 -3.9 12.0 2.3 24 22 A S + 0 0 84 -2,-0.3 -22,-0.1 -22,-0.1 -2,-0.0 -0.926 68.2 78.5-121.4 105.9 -3.7 15.6 3.7 25 23 A T S S- 0 0 111 -2,-0.5 2,-0.1 -24,-0.1 -1,-0.1 0.237 80.9-104.8-160.4 -66.0 -7.3 16.9 4.4 26 24 A G S S+ 0 0 53 -3,-0.0 2,-1.2 0, 0.0 -2,-0.1 -0.067 91.2 27.8 112.1 130.8 -9.5 15.9 7.4 27 25 A K S > S+ 0 0 132 1,-0.2 4,-2.5 -2,-0.1 5,-0.1 -0.102 95.9 83.8 77.5 -35.0 -12.5 13.4 7.5 28 26 A E H > S+ 0 0 80 -2,-1.2 4,-2.5 2,-0.2 5,-0.2 0.819 87.2 59.4 -61.9 -30.7 -11.4 11.2 4.5 29 27 A L H > S+ 0 0 49 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.971 110.6 41.7 -54.5 -54.3 -9.2 9.3 7.1 30 28 A E H > S+ 0 0 109 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.897 114.6 50.3 -56.4 -49.4 -12.5 8.5 9.0 31 29 A R H X S+ 0 0 155 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.941 115.9 42.4 -58.4 -49.1 -14.5 7.7 5.8 32 30 A A H X S+ 0 0 23 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.930 110.9 57.0 -59.0 -46.8 -11.8 5.3 4.5 33 31 A L H X S+ 0 0 46 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.869 105.5 51.3 -52.8 -42.1 -11.3 3.7 8.1 34 32 A Q H X S+ 0 0 160 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.926 114.7 41.4 -59.6 -49.7 -15.2 2.8 8.2 35 33 A E H X S+ 0 0 95 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.870 112.8 55.1 -67.2 -36.1 -14.9 1.0 4.7 36 34 A L H X S+ 0 0 20 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.913 105.5 52.6 -59.8 -44.3 -11.5 -0.7 5.7 37 35 A E H X S+ 0 0 43 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.974 113.5 43.9 -48.5 -58.7 -13.2 -2.1 8.9 38 36 A K H X S+ 0 0 110 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.877 113.5 51.5 -50.4 -48.4 -15.9 -3.7 6.6 39 37 A A H X S+ 0 0 41 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.930 109.5 48.2 -62.0 -48.0 -13.2 -4.9 4.0 40 38 A L H X>S+ 0 0 5 -4,-2.7 5,-1.6 2,-0.2 4,-1.2 0.907 117.6 43.4 -54.8 -45.5 -11.0 -6.7 6.7 41 39 A A H <5S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.7 47.5 -64.6 -47.7 -14.2 -8.4 8.1 42 40 A R H <5S+ 0 0 217 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.900 117.8 40.7 -60.8 -47.1 -15.7 -9.3 4.6 43 41 A A H <5S- 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.732 106.6-124.7 -69.1 -27.7 -12.4 -10.8 3.2 44 42 A G T <5 - 0 0 34 -4,-1.2 2,-1.1 -5,-0.2 -3,-0.2 0.976 28.6-162.1 75.0 63.3 -11.4 -12.7 6.5 45 43 A A < + 0 0 4 -5,-1.6 -1,-0.2 1,-0.2 3,-0.1 -0.635 16.1 175.2 -89.6 94.8 -7.9 -11.2 7.0 46 44 A R S S+ 0 0 106 -2,-1.1 48,-2.5 1,-0.2 2,-0.4 0.830 71.7 30.8 -72.7 -36.5 -6.0 -13.5 9.5 47 45 A N E S+BC 11 93A 53 -36,-1.0 -36,-2.4 46,-0.2 2,-0.4 -0.966 75.8 172.1-125.1 112.3 -2.4 -11.8 9.5 48 46 A V E -BC 10 92A 1 44,-2.2 44,-2.7 -2,-0.4 2,-0.7 -0.973 23.1-164.4-128.6 124.8 -2.5 -7.9 9.0 49 47 A Q E -BC 9 91A 73 -40,-2.6 -40,-2.5 -2,-0.4 2,-0.7 -0.895 12.9-170.8 -99.3 104.1 0.4 -5.3 9.2 50 48 A I E -BC 8 90A 8 40,-2.2 40,-2.4 -2,-0.7 2,-0.6 -0.875 4.6-171.5 -92.2 113.8 -1.3 -1.8 9.4 51 49 A T E -BC 7 89A 50 -44,-2.8 -44,-2.3 -2,-0.7 2,-0.8 -0.931 5.5-167.1-108.8 112.6 1.5 0.8 9.1 52 50 A I E -BC 6 88A 8 36,-2.3 36,-2.3 -2,-0.6 2,-1.4 -0.866 10.5-153.5-102.8 105.7 0.4 4.5 9.7 53 51 A S E -BC 5 87A 8 -48,-2.2 -48,-1.2 -2,-0.8 34,-0.2 -0.599 30.1-166.2 -75.1 84.9 3.2 6.9 8.5 54 52 A A - 0 0 0 -2,-1.4 -50,-0.2 32,-0.6 32,-0.1 -0.450 28.5-136.8 -94.2 154.8 2.2 9.8 11.0 55 53 A E S S+ 0 0 88 -2,-0.1 2,-0.3 -52,-0.1 -51,-0.1 0.816 78.5 3.9 -76.6 -37.0 3.2 13.6 11.1 56 54 A N S > S- 0 0 71 30,-0.1 4,-3.0 -53,-0.1 5,-0.1 -0.933 73.8-100.1-146.7 171.3 3.8 14.1 15.0 57 55 A D H > S+ 0 0 126 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.893 119.3 47.2 -65.8 -44.4 4.0 12.3 18.4 58 56 A E H > S+ 0 0 174 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.920 114.5 48.7 -63.2 -42.8 0.4 13.3 19.7 59 57 A Q H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.961 110.7 51.2 -54.0 -53.7 -1.1 12.3 16.2 60 58 A A H X S+ 0 0 7 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.834 106.3 56.4 -52.3 -37.3 0.9 8.9 16.5 61 59 A K H X S+ 0 0 95 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.976 114.7 35.4 -56.8 -61.6 -0.6 8.4 20.1 62 60 A E H X S+ 0 0 73 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.826 116.7 53.8 -70.2 -28.7 -4.3 8.6 18.9 63 61 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.944 108.7 51.8 -63.1 -45.5 -3.6 6.8 15.5 64 62 A L H X S+ 0 0 56 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.939 115.6 39.9 -46.1 -55.7 -2.0 3.9 17.7 65 63 A E H X S+ 0 0 73 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.868 111.3 57.2 -72.1 -34.2 -5.2 3.7 19.8 66 64 A L H X S+ 0 0 65 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.914 109.5 46.8 -53.6 -44.5 -7.6 4.2 16.7 67 65 A I H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.939 114.2 47.2 -62.3 -47.8 -5.8 1.1 15.1 68 66 A A H X S+ 0 0 21 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.958 112.0 49.7 -56.2 -50.2 -6.2 -0.9 18.5 69 67 A R H X S+ 0 0 115 -4,-3.3 4,-1.4 2,-0.2 -2,-0.2 0.914 115.1 46.3 -50.5 -47.4 -10.0 0.3 18.7 70 68 A L H X S+ 0 0 20 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.962 117.3 40.4 -54.1 -59.5 -10.4 -1.0 15.0 71 69 A L H X>S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.9 0.840 113.1 53.7 -74.4 -31.3 -8.6 -4.4 15.5 72 70 A Q H <5S+ 0 0 133 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.849 106.4 55.1 -63.6 -35.2 -10.2 -5.1 19.0 73 71 A K H <5S+ 0 0 138 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.919 112.8 41.7 -58.7 -47.2 -13.7 -4.5 17.3 74 72 A L H <5S- 0 0 47 -4,-1.6 -2,-0.2 2,-0.0 -1,-0.1 0.888 120.1-109.5 -66.2 -43.1 -12.9 -7.3 14.7 75 73 A G T <5 + 0 0 54 -4,-2.3 2,-0.5 1,-0.1 -3,-0.2 0.822 49.1 167.0 110.7 68.2 -11.2 -9.8 17.3 76 74 A Y < - 0 0 22 -5,-0.9 3,-0.2 1,-0.1 -1,-0.1 -0.936 16.9-170.1-114.9 123.8 -7.4 -10.2 17.0 77 75 A K S S+ 0 0 165 -2,-0.5 2,-1.1 16,-0.3 17,-0.1 0.878 74.6 57.7 -73.6 -44.7 -5.3 -11.9 19.8 78 76 A D E +D 93 0A 45 15,-1.2 15,-1.1 2,-0.1 2,-1.0 -0.669 63.6 175.9-102.7 80.7 -1.6 -11.2 18.9 79 77 A I E -D 92 0A 73 -2,-1.1 2,-0.7 13,-0.2 13,-0.2 -0.715 6.1-177.2 -96.8 95.9 -1.3 -7.4 18.7 80 78 A N E -D 91 0A 62 11,-2.8 11,-2.5 -2,-1.0 2,-0.4 -0.810 5.2-165.5-107.9 102.9 2.5 -6.6 18.0 81 79 A V E +D 90 0A 87 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.677 17.2 170.1 -88.9 134.4 3.4 -2.8 17.9 82 80 A R E -D 89 0A 177 7,-2.5 7,-2.6 -2,-0.4 2,-0.6 -0.935 14.5-162.6-133.0 123.8 6.7 -1.2 16.6 83 81 A V E -D 88 0A 63 -2,-0.3 2,-1.2 5,-0.2 5,-0.2 -0.889 6.6-157.5 -99.5 115.7 6.7 2.7 16.3 84 82 A N E > S-D 87 0A 101 3,-2.7 3,-1.8 -2,-0.6 2,-1.3 -0.700 71.0 -63.0 -89.0 83.6 9.6 4.0 14.0 85 83 A G T 3 S- 0 0 66 -2,-1.2 -2,-0.1 1,-0.3 -29,-0.0 -0.589 125.9 -12.0 72.1 -90.0 9.7 7.6 15.5 86 84 A T T 3 S+ 0 0 29 -2,-1.3 2,-0.8 -32,-0.1 -32,-0.6 0.462 114.2 104.3-104.7 -10.1 6.2 8.6 14.4 87 85 A E E < -CD 53 84A 59 -3,-1.8 -3,-2.7 -34,-0.2 2,-0.9 -0.643 58.7-156.2 -91.2 105.8 5.5 5.6 12.0 88 86 A V E -CD 52 83A 0 -36,-2.3 -36,-2.3 -2,-0.8 2,-0.6 -0.702 12.5-176.7 -93.4 101.0 3.1 3.1 13.8 89 87 A K E -CD 51 82A 58 -7,-2.6 -7,-2.5 -2,-0.9 2,-0.6 -0.861 2.7-174.9 -91.5 120.2 3.3 -0.6 12.5 90 88 A I E -CD 50 81A 2 -40,-2.4 -40,-2.2 -2,-0.6 2,-0.7 -0.954 7.0-162.7-115.8 111.0 0.7 -2.9 14.3 91 89 A E E -CD 49 80A 39 -11,-2.5 -11,-2.8 -2,-0.6 2,-0.5 -0.855 8.0-169.5 -95.1 111.3 1.0 -6.6 13.3 92 90 A V E -CD 48 79A 0 -44,-2.7 -44,-2.2 -2,-0.7 2,-0.5 -0.913 1.7-170.3-109.6 123.1 -2.2 -8.6 14.2 93 91 A R E CD 47 78A 75 -15,-1.1 -15,-1.2 -2,-0.5 -16,-0.3 -0.940 360.0 360.0-120.6 121.8 -2.2 -12.5 14.0 94 92 A V 0 0 108 -48,-2.5 -18,-0.1 -2,-0.5 -48,-0.1 -0.617 360.0 360.0 -81.7 360.0 -5.3 -14.7 14.4