==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-FEB-04 1SF0 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PF1061; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.H.PRESTEGARD,K.L.MAYER,H.VALAFAR,SOUTHEAST COLLABORATORY F . 68 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 4.4 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 . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 90 0, 0.0 2,-0.3 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 132.6 -0.1 -1.8 0.7 2 3 A M - 0 0 49 2,-0.0 2,-0.3 17,-0.0 14,-0.1 -0.910 360.0-161.8-125.2 153.9 0.6 1.3 -1.4 3 4 A I - 0 0 61 -2,-0.3 2,-0.5 13,-0.1 55,-0.2 -0.952 11.7-139.4-133.2 154.3 2.2 1.8 -4.8 4 5 A K E -a 58 0A 10 53,-1.0 55,-1.8 -2,-0.3 2,-0.4 -0.947 14.8-156.7-116.9 123.6 3.7 4.8 -6.6 5 6 A V E +a 59 0A 63 -2,-0.5 2,-0.3 53,-0.3 55,-0.2 -0.804 18.7 167.2-100.1 137.9 3.0 5.4 -10.3 6 7 A K E -a 60 0A 30 53,-1.6 55,-0.8 -2,-0.4 2,-0.2 -0.996 32.1-118.8-146.0 150.3 5.4 7.5 -12.5 7 8 A V > - 0 0 43 -2,-0.3 3,-2.1 53,-0.2 4,-0.5 -0.627 53.9 -76.8 -90.0 149.6 5.9 8.0 -16.2 8 9 A I T 3 S- 0 0 59 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.167 121.5 -6.8 -43.9 112.8 9.2 7.1 -17.9 9 10 A G T 3 S+ 0 0 93 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.928 100.5 126.6 63.6 42.5 11.4 10.0 -16.8 10 11 A R < - 0 0 51 -3,-2.1 -2,-0.1 2,-0.1 -1,-0.1 0.710 69.0-127.1-102.0 -25.7 8.5 11.8 -15.2 11 12 A N + 0 0 104 -4,-0.5 2,-0.6 1,-0.2 -3,-0.1 0.967 48.6 156.6 79.6 57.3 10.0 12.3 -11.8 12 13 A I + 0 0 47 -5,-0.2 2,-0.5 -8,-0.1 -1,-0.2 -0.830 12.3 175.0-120.2 96.9 7.2 10.9 -9.6 13 14 A E + 0 0 108 -2,-0.6 2,-0.2 45,-0.1 -8,-0.1 -0.853 8.4 157.6-102.1 130.2 8.4 9.7 -6.2 14 15 A K - 0 0 59 -2,-0.5 -2,-0.0 -10,-0.1 -8,-0.0 -0.645 36.6-132.7-152.6 90.4 5.8 8.5 -3.6 15 16 A E - 0 0 113 -2,-0.2 2,-0.3 1,-0.1 -12,-0.1 0.070 28.7-159.4 -36.4 156.8 6.9 6.2 -0.8 16 17 A I - 0 0 30 39,-0.1 -12,-0.1 1,-0.1 -13,-0.1 -0.991 13.1-142.5-149.0 139.1 4.6 3.2 -0.5 17 18 A E - 0 0 68 -2,-0.3 2,-0.3 -14,-0.1 -1,-0.1 0.522 27.3-137.5 -72.0-133.5 3.7 0.7 2.3 18 19 A W - 0 0 71 38,-0.1 -1,-0.1 37,-0.1 -15,-0.1 -0.979 19.5-168.3-177.3 172.8 3.0 -2.9 1.4 19 20 A R - 0 0 72 -2,-0.3 2,-0.1 -17,-0.1 -1,-0.0 0.212 38.3 -96.8-140.7 -91.9 0.7 -5.9 2.2 20 21 A E S S+ 0 0 95 34,-0.0 3,-0.1 3,-0.0 34,-0.0 -0.363 91.0 33.3 157.7 118.9 1.4 -9.5 1.1 21 22 A G S S+ 0 0 82 1,-0.2 31,-0.0 -2,-0.1 0, 0.0 0.030 84.1 115.3 110.1 -27.8 0.1 -11.6 -1.8 22 23 A M - 0 0 68 4,-0.1 2,-0.3 30,-0.0 -1,-0.2 0.201 49.3-155.7 -59.1-167.6 -0.1 -8.8 -4.3 23 24 A K > - 0 0 27 29,-0.2 4,-1.8 1,-0.2 5,-0.4 -0.892 33.3-100.3-173.4 141.3 2.2 -8.8 -7.4 24 25 A V H > S+ 0 0 20 27,-0.4 4,-3.2 -2,-0.3 5,-0.2 0.874 123.4 53.1 -32.9 -55.1 3.7 -6.2 -9.8 25 26 A R H > S+ 0 0 27 24,-0.5 4,-3.8 2,-0.2 5,-0.5 0.971 109.1 46.6 -48.4 -67.6 1.0 -7.2 -12.3 26 27 A D H > S+ 0 0 52 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.929 113.8 48.0 -39.5 -65.2 -1.9 -6.6 -9.8 27 28 A I H < S+ 0 0 32 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 0.909 116.5 45.7 -45.1 -44.4 -0.4 -3.3 -8.8 28 29 A L H ><>S+ 0 0 18 -4,-3.2 3,-2.6 -5,-0.4 5,-1.4 0.978 111.1 49.4 -65.7 -53.0 -0.0 -2.5 -12.5 29 30 A R H ><5S+ 0 0 62 -4,-3.8 3,-1.2 1,-0.3 -1,-0.2 0.695 97.7 74.3 -60.2 -12.9 -3.5 -3.7 -13.4 30 31 A A T 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 -5,-0.5 -2,-0.2 0.707 96.8 46.7 -74.4 -15.5 -4.6 -1.5 -10.5 31 32 A V T < 5S- 0 0 64 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.160 124.5-101.4-109.0 18.4 -4.0 1.5 -12.8 32 33 A G T < 5S+ 0 0 79 -3,-1.2 2,-0.3 1,-0.1 -3,-0.2 0.755 102.9 90.7 70.6 20.1 -5.9 0.0 -15.8 33 34 A F < - 0 0 29 -5,-1.4 2,-2.0 -8,-0.1 -2,-0.2 -0.764 58.4-164.1-150.2 100.7 -2.4 -0.8 -17.2 34 35 A N S S- 0 0 50 -2,-0.3 -5,-0.1 -5,-0.2 6,-0.1 -0.140 74.4 -75.6 -77.7 47.7 -0.7 -4.2 -16.6 35 36 A T S S+ 0 0 20 -2,-2.0 3,-0.3 -7,-0.2 5,-0.3 0.985 91.8 139.1 60.4 57.6 2.5 -2.6 -17.8 36 37 A E + 0 0 95 1,-0.2 2,-0.7 3,-0.1 25,-0.1 0.793 66.2 48.9-100.1 -37.2 1.6 -2.8 -21.5 37 38 A S S S+ 0 0 54 23,-0.1 25,-1.0 26,-0.1 27,-0.7 -0.375 121.7 14.6 -98.3 56.0 3.0 0.6 -22.6 38 39 A A S S- 0 0 23 -2,-0.7 2,-0.9 -3,-0.3 27,-0.1 -0.759 88.1 -86.2 154.9 158.4 6.4 0.2 -21.0 39 40 A I - 0 0 77 -2,-0.2 9,-0.1 25,-0.2 -3,-0.1 -0.770 45.1-132.2 -92.7 103.9 8.8 -2.3 -19.5 40 41 A A + 0 0 25 -2,-0.9 7,-2.5 -5,-0.3 2,-0.3 -0.292 38.8 166.3 -54.7 130.6 7.9 -2.6 -15.8 41 42 A K E -B 46 0B 61 5,-0.3 2,-0.3 0, 0.0 5,-0.3 -0.992 18.9-165.6-150.2 140.4 11.1 -2.4 -13.8 42 43 A V E > S+B 45 0B 46 3,-2.2 3,-3.0 -2,-0.3 15,-0.1 -0.947 72.9 7.7-128.2 149.6 11.9 -1.9 -10.1 43 44 A N T 3 S- 0 0 113 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.865 131.6 -60.4 52.9 34.3 15.1 -1.0 -8.3 44 45 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.458 118.1 116.5 75.0 -4.7 16.7 -0.4 -11.7 45 46 A K E < -B 42 0B 57 -3,-3.0 -3,-2.2 1,-0.0 -1,-0.3 -0.768 62.1-133.4 -98.7 142.4 15.9 -4.1 -12.4 46 47 A V E +B 41 0B 83 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.3 -0.592 28.9 171.4 -91.1 155.5 13.5 -5.1 -15.2 47 48 A V - 0 0 54 -7,-2.5 2,-0.2 -2,-0.2 -7,-0.1 -0.899 30.5 -98.9-150.1 178.9 10.7 -7.7 -14.7 48 49 A L > - 0 0 63 -2,-0.3 3,-2.0 4,-0.1 -23,-0.2 -0.573 39.9-101.9-101.7 169.4 7.6 -9.1 -16.4 49 50 A E T 3 S+ 0 0 44 1,-0.3 -24,-0.5 -2,-0.2 -21,-0.2 0.818 127.9 46.9 -60.3 -26.1 3.9 -8.2 -15.8 50 51 A D T 3 S+ 0 0 88 -26,-0.1 2,-1.2 -25,-0.1 -1,-0.3 0.404 83.0 113.4 -95.5 4.1 3.7 -11.4 -13.8 51 52 A D S < S- 0 0 31 -3,-2.0 -27,-0.4 -28,-0.1 -28,-0.0 -0.604 73.3-127.5 -78.0 99.1 6.9 -10.6 -11.9 52 53 A E - 0 0 74 -2,-1.2 2,-0.3 -29,-0.2 -29,-0.2 0.048 25.6-141.9 -39.2 156.2 5.6 -10.1 -8.3 53 54 A V + 0 0 38 4,-0.1 2,-0.2 -6,-0.0 3,-0.1 -0.865 26.0 162.3-124.9 160.5 6.7 -6.8 -6.8 54 55 A K > + 0 0 74 -2,-0.3 3,-0.6 1,-0.1 -31,-0.0 -0.615 50.9 68.6-149.2-149.9 7.8 -5.8 -3.3 55 56 A D T 3 S- 0 0 109 1,-0.2 -39,-0.1 -2,-0.2 -1,-0.1 0.789 127.9 -67.6 31.4 30.8 9.8 -3.0 -1.5 56 57 A G T 3 S- 0 0 25 -3,-0.1 -1,-0.2 -41,-0.1 -52,-0.1 0.995 70.6-149.5 57.8 69.6 6.7 -1.0 -2.5 57 58 A D < - 0 0 27 -3,-0.6 -53,-1.0 1,-0.1 -15,-0.1 -0.298 9.9-125.4 -67.1 155.8 7.3 -1.0 -6.3 58 59 A F E -a 4 0A 58 -55,-0.2 -53,-0.3 -17,-0.2 2,-0.2 0.209 21.7-109.1 -81.8-148.9 6.1 2.1 -8.2 59 60 A V E -a 5 0A 16 -55,-1.8 -53,-1.6 -56,-0.1 2,-0.5 -0.720 25.9-166.1-150.1 94.0 3.8 2.0 -11.2 60 61 A E E +a 6 0A 45 -2,-0.2 2,-0.4 -55,-0.2 -53,-0.2 -0.706 16.9 164.4 -85.8 124.4 5.2 2.8 -14.6 61 62 A V + 0 0 49 -55,-0.8 -23,-0.1 -2,-0.5 -2,-0.0 -0.857 35.3 63.1-142.8 105.8 2.5 3.5 -17.3 62 63 A I S S- 0 0 38 -25,-1.0 2,-0.8 -2,-0.4 -54,-0.2 -0.639 97.0 -50.2 152.3 149.3 3.3 5.2 -20.6 63 64 A P + 0 0 88 0, 0.0 -25,-0.2 0, 0.0 -26,-0.1 -0.085 55.7 170.0 -41.2 84.9 5.4 4.7 -23.8 64 65 A V + 0 0 44 -2,-0.8 -25,-0.2 -27,-0.7 -26,-0.1 0.013 36.0 120.7 -92.5 31.5 8.7 3.9 -22.0 65 66 A V + 0 0 90 -28,-0.1 2,-0.3 -27,-0.1 -28,-0.0 -0.408 35.7 173.9 -88.7 170.0 10.3 2.9 -25.3 66 67 A S - 0 0 105 -2,-0.1 2,-0.7 0, 0.0 -2,-0.0 -0.878 25.9-143.7-174.2 139.9 13.4 4.5 -26.9 67 68 A G 0 0 87 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.850 360.0 360.0-115.3 99.6 15.7 4.0 -29.9 68 69 A G 0 0 132 -2,-0.7 -1,-0.1 0, 0.0 0, 0.0 0.661 360.0 360.0-107.8 360.0 19.4 4.8 -29.1