==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-DEC-03 1RWS . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PF1061; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.H.PRESTEGARD,K.L.MAYER,H.VALAFAR . 68 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 5.9 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 . 1 1.5 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 . 9 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 79 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 118.5 -0.0 -2.7 -0.2 2 3 A M - 0 0 56 17,-0.0 2,-0.3 28,-0.0 25,-0.1 -0.745 360.0-134.6-114.3 157.9 -0.4 0.5 -2.3 3 4 A I - 0 0 34 -2,-0.3 2,-0.3 24,-0.1 55,-0.2 -0.738 6.4-153.5-113.9 165.0 1.0 1.3 -5.7 4 5 A K - 0 0 12 53,-0.7 2,-0.4 -2,-0.3 27,-0.1 -0.972 11.9-160.1-137.6 142.2 2.8 4.3 -7.3 5 6 A V + 0 0 61 -2,-0.3 2,-0.3 53,-0.3 55,-0.2 -0.990 12.6 170.7-131.1 137.2 2.8 5.2 -10.9 6 7 A K B -a 60 0A 21 53,-4.8 55,-3.4 -2,-0.4 2,-0.3 -0.956 39.0-104.4-142.8 155.6 5.1 7.4 -13.1 7 8 A V S > S- 0 0 42 -2,-0.3 3,-0.9 53,-0.3 4,-0.3 -0.631 72.0 -66.7 -89.2 129.7 5.5 8.0 -16.8 8 9 A I T 3 S- 0 0 29 1,-0.3 -1,-0.2 29,-0.3 57,-0.1 0.089 122.7 -13.6 -20.5 133.0 8.5 6.2 -18.0 9 10 A G T 3 S+ 0 0 93 1,-0.1 -1,-0.3 -3,-0.1 51,-0.0 0.919 98.8 138.5 37.2 52.7 11.3 8.2 -16.2 10 11 A R < - 0 0 52 -3,-0.9 -1,-0.1 2,-0.1 -2,-0.1 0.616 69.4-112.2-103.4 -13.5 8.7 10.8 -15.4 11 12 A N + 0 0 97 -4,-0.3 2,-0.6 1,-0.1 -3,-0.1 0.939 56.2 157.6 88.6 53.4 9.9 11.5 -11.8 12 13 A I + 0 0 45 -5,-0.1 2,-0.4 47,-0.1 47,-0.2 -0.681 7.4 167.1-124.6 91.0 7.0 10.1 -9.7 13 14 A E + 0 0 104 -2,-0.6 2,-0.2 45,-0.1 -8,-0.0 -0.750 8.4 151.9 -93.6 135.6 7.9 9.1 -6.1 14 15 A K - 0 0 65 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.707 47.4-119.5-161.6 92.5 5.3 8.5 -3.5 15 16 A E - 0 0 113 -2,-0.2 2,-0.3 1,-0.1 41,-0.1 0.116 35.1-162.1 -38.8 168.1 6.3 6.0 -0.8 16 17 A I - 0 0 26 39,-0.2 -12,-0.1 1,-0.1 -1,-0.1 -0.851 14.5-137.2-160.3 115.8 4.0 3.0 -0.8 17 18 A E - 0 0 75 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.528 25.4-147.2 -55.4-137.3 3.3 0.1 1.9 18 19 A W - 0 0 47 37,-0.1 -1,-0.1 38,-0.1 2,-0.1 -0.900 11.7-163.2-179.9-170.5 3.0 -3.5 0.6 19 20 A R - 0 0 72 -2,-0.2 2,-0.2 -18,-0.1 -17,-0.0 -0.311 23.0 -78.6-161.1-120.4 1.0 -6.5 1.6 20 21 A E S S+ 0 0 97 -2,-0.1 3,-0.1 -19,-0.1 -2,-0.0 -0.642 94.8 14.6-177.4 112.9 0.7 -10.4 1.3 21 22 A G S S+ 0 0 87 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 0.065 97.7 108.2 106.0 -27.0 -0.7 -12.8 -1.4 22 23 A M - 0 0 70 1,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.291 54.3-146.2 -78.8-170.6 -0.6 -10.0 -4.1 23 24 A K > - 0 0 51 1,-0.1 4,-1.6 -3,-0.1 5,-0.2 -0.982 32.0 -93.5-146.1 160.7 1.6 -9.7 -7.0 24 25 A V H > S+ 0 0 16 -2,-0.3 4,-2.3 29,-0.3 5,-0.3 0.953 119.3 61.5 -47.3 -61.7 3.4 -7.0 -9.1 25 26 A R H >> S+ 0 0 35 24,-0.3 4,-3.0 1,-0.2 3,-0.5 0.937 103.1 48.6 -40.6 -63.0 0.5 -7.1 -11.6 26 27 A D H 3> S+ 0 0 44 2,-0.3 4,-2.3 1,-0.2 5,-0.4 0.927 106.2 53.6 -42.5 -66.3 -2.1 -6.0 -9.0 27 28 A I H 3< S+ 0 0 32 -4,-1.6 4,-0.5 1,-0.3 3,-0.4 0.931 113.2 46.7 -41.9 -39.1 -0.1 -3.0 -7.7 28 29 A L H X<>S+ 0 0 16 -4,-2.3 3,-2.1 -3,-0.5 5,-1.5 0.929 103.8 61.8 -68.1 -35.7 -0.0 -2.1 -11.4 29 30 A R H ><5S+ 0 0 53 -4,-3.0 3,-3.3 -5,-0.3 -1,-0.3 0.860 89.2 68.1 -56.3 -32.9 -3.8 -2.9 -11.4 30 31 A A T 3<5S+ 0 0 83 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.824 101.3 49.2 -63.4 -14.5 -4.0 0.0 -8.8 31 32 A V T < 5S- 0 0 51 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.523 121.2-117.3 -89.3 -11.9 -3.1 1.9 -12.0 32 33 A G T < 5S+ 0 0 75 -3,-3.3 -3,-0.2 -4,-0.3 2,-0.2 0.903 91.0 103.3 75.1 28.9 -5.8 0.1 -13.8 33 34 A F < - 0 0 23 -5,-1.5 2,-6.2 -7,-0.2 -2,-0.2 -0.649 66.6-157.9-150.8 101.5 -2.8 -1.2 -15.7 34 35 A N S S- 0 0 59 1,-0.2 -9,-0.1 -2,-0.2 -8,-0.1 -0.123 85.5 -76.2 -61.1 46.9 -1.0 -4.6 -15.5 35 36 A T S S+ 0 0 32 -2,-6.2 3,-0.2 -10,-0.2 -1,-0.2 0.934 82.4 158.6 51.6 89.6 1.6 -2.2 -16.9 36 37 A E + 0 0 95 1,-0.2 2,-1.8 3,-0.1 -1,-0.1 0.831 64.6 56.1-100.5 -45.1 0.4 -2.0 -20.5 37 38 A S S S+ 0 0 55 26,-0.0 25,-2.4 24,-0.0 2,-0.3 -0.454 113.1 3.6 -79.4 64.9 2.1 1.2 -21.5 38 39 A A S S- 0 0 41 -2,-1.8 2,-0.3 23,-0.3 23,-0.1 -0.933 76.4 -81.7 161.4-173.0 5.7 0.4 -20.8 39 40 A I - 0 0 77 -2,-0.3 2,-0.4 23,-0.2 9,-0.1 -0.939 46.9-135.1-125.0 141.4 8.5 -1.9 -19.7 40 41 A A E +B 47 0B 38 7,-0.6 7,-1.8 -2,-0.3 2,-0.3 -0.825 25.2 174.3-109.4 146.4 8.8 -2.3 -15.9 41 42 A K E > -B 46 0B 65 -2,-0.4 3,-0.6 5,-0.2 2,-0.3 -0.854 11.8-161.1-145.8 107.7 12.0 -2.2 -13.8 42 43 A V E > S-B 45 0B 46 3,-0.8 3,-2.7 -2,-0.3 15,-0.1 -0.710 80.3 -3.5 -97.2 138.6 12.1 -2.3 -9.9 43 44 A N T 3 S- 0 0 117 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.765 134.5 -57.1 51.8 27.4 15.2 -1.2 -8.1 44 45 A G T < S+ 0 0 77 -3,-0.6 2,-0.3 1,-0.4 -1,-0.3 0.503 114.4 119.7 90.5 -2.4 16.8 -0.8 -11.5 45 46 A K E < -B 42 0B 58 -3,-2.7 -3,-0.8 1,-0.0 -1,-0.4 -0.741 61.8-123.8-101.6 145.1 16.1 -4.4 -12.4 46 47 A V E +B 41 0B 92 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.457 35.8 164.0 -87.4 159.7 13.9 -5.3 -15.4 47 48 A V E -B 40 0B 49 -7,-1.8 -7,-0.6 -2,-0.1 2,-0.2 -0.967 31.4-109.6-155.2-176.7 10.8 -7.5 -15.2 48 49 A L - 0 0 64 -2,-0.3 3,-0.2 -9,-0.1 -9,-0.0 -0.549 46.0 -92.2-111.8-176.3 7.5 -8.6 -16.9 49 50 A E S S+ 0 0 52 1,-0.2 -24,-0.3 -2,-0.2 -21,-0.1 0.786 129.1 36.1 -63.4 -32.0 3.8 -7.9 -15.9 50 51 A D S S+ 0 0 87 -26,-0.1 2,-1.0 2,-0.1 -26,-0.2 0.534 88.6 100.6-101.0 -10.5 3.7 -11.0 -13.8 51 52 A D S S- 0 0 47 -3,-0.2 -28,-0.0 1,-0.1 0, 0.0 -0.660 85.4-118.4 -78.9 97.7 7.3 -11.0 -12.5 52 53 A E - 0 0 70 -2,-1.0 2,-0.1 -28,-0.1 -2,-0.1 0.069 19.3-145.6 -35.2 167.3 6.4 -9.6 -9.1 53 54 A V - 0 0 31 4,-0.1 -29,-0.3 -12,-0.0 2,-0.3 -0.339 20.3-155.7-101.4-167.7 7.5 -6.3 -7.6 54 55 A K + 0 0 79 -2,-0.1 -36,-0.1 -31,-0.1 -31,-0.0 -0.887 57.6 22.5-162.8 144.4 8.1 -6.2 -3.9 55 56 A D S S- 0 0 87 -2,-0.3 -39,-0.2 1,-0.1 -37,-0.1 0.748 129.4 -41.0 88.4 7.5 8.1 -3.5 -1.3 56 57 A G S S- 0 0 29 -41,-0.1 -1,-0.1 2,-0.1 -38,-0.1 0.917 74.8-167.2 88.0 57.6 6.0 -0.7 -2.8 57 58 A D - 0 0 20 1,-0.1 -53,-0.7 -55,-0.1 -15,-0.1 -0.296 17.6-131.3 -71.5 155.6 7.3 -0.9 -6.3 58 59 A F - 0 0 57 -55,-0.2 -53,-0.3 -53,-0.0 2,-0.3 -0.100 19.2-116.2 -81.5-135.0 6.2 2.2 -8.2 59 60 A V - 0 0 20 -47,-0.2 -53,-4.8 -56,-0.1 2,-0.5 -0.952 21.1-160.7-151.2 133.6 4.6 1.8 -11.5 60 61 A E B +a 6 0A 38 -2,-0.3 2,-0.4 -55,-0.2 -53,-0.3 -0.932 19.6 163.6-112.2 125.6 6.2 3.3 -14.8 61 62 A V + 0 0 40 -55,-3.4 -23,-0.3 -2,-0.5 -21,-0.0 -0.892 29.9 73.4-144.2 114.2 3.8 3.7 -17.8 62 63 A I S S- 0 0 31 -25,-2.4 2,-1.1 -2,-0.4 -23,-0.2 -0.733 96.1 -40.4 154.7 150.0 4.5 5.8 -20.9 63 64 A P - 0 0 100 0, 0.0 2,-3.9 0, 0.0 -25,-0.1 0.073 58.4-161.5 -31.9 70.3 6.6 5.8 -24.1 64 65 A V + 0 0 55 -2,-1.1 2,-1.1 1,-0.1 -55,-0.1 -0.185 33.2 148.7 -58.4 62.8 9.7 4.4 -22.3 65 66 A V - 0 0 89 -2,-3.9 2,-0.7 -57,-0.1 3,-0.5 -0.669 28.0-168.3-101.8 83.5 12.1 5.5 -25.1 66 67 A S + 0 0 110 -2,-1.1 -2,-0.1 1,-0.2 -57,-0.0 -0.569 54.6 93.4 -72.3 112.2 15.4 6.2 -23.1 67 68 A G 0 0 82 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.0 0.291 360.0 360.0-176.2 -5.8 17.6 8.0 -25.7 68 69 A G 0 0 129 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.0 0.153 360.0 360.0 -83.8 360.0 17.0 11.8 -25.2