==== 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 11-AUG-06 2I0X . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PF1117; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR L.Q.CHEN,Z.-Q.FU,Z.-J.LIU,J.P.ROSE,B.C.WANG,SOUTHEAST COLLAB . 84 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 61.9 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 . 19 22.6 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 7 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 23.8 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 1 0 0 0 0 1 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 . 0 0 1 0 1 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 ANTIPARALLEL 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 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 M 0 0 87 0, 0.0 36,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.1 27.9 54.5 18.4 2 2 A Y E -AB 36 65A 6 63,-2.5 63,-2.9 34,-0.2 2,-0.3 -0.997 360.0-168.6-141.1 131.5 31.4 54.1 17.3 3 3 A I E -AB 35 64A 1 32,-2.3 32,-1.7 -2,-0.4 2,-0.5 -0.938 19.0-152.3-130.9 151.6 34.1 52.3 19.2 4 4 A V E -AB 34 63A 24 59,-1.2 59,-1.9 -2,-0.3 2,-0.6 -0.989 19.9-159.7-116.7 119.0 37.9 51.9 19.1 5 5 A V E +AB 33 62A 0 28,-3.8 28,-2.4 -2,-0.5 2,-0.4 -0.909 11.9 178.5-105.9 119.9 39.0 48.5 20.6 6 6 A V E -AB 32 61A 52 55,-2.8 55,-2.9 -2,-0.6 2,-0.3 -0.941 10.2-176.6-118.4 141.2 42.6 48.2 21.7 7 7 A Y E - B 0 60A 12 24,-1.7 2,-0.5 -2,-0.4 53,-0.2 -0.986 30.9-158.5-146.1 154.8 43.9 45.0 23.3 8 8 A D E + B 0 59A 115 51,-3.3 51,-2.3 -2,-0.3 2,-0.4 -0.903 33.1 162.6-126.8 94.3 46.9 43.3 24.9 9 9 A V - 0 0 13 -2,-0.5 4,-0.1 49,-0.2 5,-0.1 -0.973 41.8-108.4-121.9 131.2 46.4 39.6 24.6 10 10 A G - 0 0 30 -2,-0.4 4,-0.2 3,-0.1 48,-0.0 -0.163 47.6 -93.7 -51.6 147.7 49.1 36.9 25.0 11 11 A V S S+ 0 0 104 2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.019 109.6 43.9 -56.2 168.7 50.2 35.2 21.7 12 12 A E S S+ 0 0 175 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.952 121.6 45.9 54.4 47.3 48.5 32.0 20.7 13 13 A R S > S+ 0 0 73 -4,-0.1 4,-1.2 40,-0.0 -2,-0.2 0.050 96.4 72.9 171.9 -16.3 45.2 33.5 21.7 14 14 A V H > S+ 0 0 36 -4,-0.2 4,-2.7 2,-0.2 3,-0.5 0.951 91.8 55.2 -77.3 -54.5 45.7 36.9 20.0 15 15 A N H > S+ 0 0 106 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.832 106.8 56.2 -45.4 -36.0 45.2 35.5 16.5 16 16 A K H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.941 109.6 40.7 -64.5 -51.1 41.9 34.2 17.9 17 17 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.799 112.7 58.2 -68.7 -28.3 40.6 37.6 19.0 18 18 A K H X S+ 0 0 83 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.931 105.3 47.9 -66.2 -47.5 42.0 39.1 15.8 19 19 A K H < S+ 0 0 125 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.918 112.0 52.9 -58.6 -44.0 39.9 36.8 13.6 20 20 A F H >< S+ 0 0 46 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.922 111.1 42.3 -57.7 -53.6 36.8 37.7 15.8 21 21 A L H >X S+ 0 0 0 -4,-2.3 4,-3.9 1,-0.3 3,-2.1 0.759 101.5 70.4 -68.5 -25.7 37.1 41.5 15.5 22 22 A R T 3< S+ 0 0 129 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.674 101.4 48.0 -65.2 -14.4 37.9 41.3 11.8 23 23 A M T <4 S+ 0 0 147 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.190 123.1 31.6-108.6 10.9 34.3 40.2 11.4 24 24 A H T <4 S+ 0 0 53 -3,-2.1 2,-0.2 1,-0.4 -2,-0.2 0.572 122.6 16.5-132.3 -41.2 32.9 43.0 13.5 25 25 A L S < S- 0 0 8 -4,-3.9 -1,-0.4 -5,-0.1 2,-0.3 -0.728 79.5 -90.2-131.7 178.6 35.2 46.0 13.2 26 26 A N E -C 34 0A 66 8,-2.8 8,-2.3 -2,-0.2 2,-0.6 -0.705 35.6-123.2 -94.5 145.3 37.9 47.5 10.9 27 27 A W E +C 33 0A 61 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.802 33.2 169.0 -92.7 115.9 41.6 46.8 11.6 28 28 A V E - 0 0 33 4,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.895 65.1 -28.8 -90.6 -53.0 43.6 50.0 12.0 29 29 A Q E > S-C 32 0A 103 3,-1.1 3,-2.3 49,-0.1 -1,-0.4 -0.870 94.9 -47.4-151.1-179.6 46.9 48.8 13.2 30 30 A N T 3 S+ 0 0 96 1,-0.3 3,-0.1 -2,-0.3 48,-0.0 -0.414 129.3 5.0 -61.4 123.7 48.2 45.8 15.2 31 31 A S T 3 S+ 0 0 27 -2,-0.2 -24,-1.7 1,-0.1 2,-0.4 0.530 113.1 102.5 78.4 9.0 46.0 45.4 18.3 32 32 A V E < +AC 6 29A 25 -3,-2.3 -4,-2.3 -26,-0.2 -3,-1.1 -0.973 38.1 163.2-130.7 124.5 43.6 48.1 17.2 33 33 A F E +AC 5 27A 0 -28,-2.4 -28,-3.8 -2,-0.4 2,-0.3 -0.970 7.2 174.6-132.0 150.2 40.2 47.9 15.6 34 34 A E E +AC 4 26A 14 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.3 -0.978 13.7 123.4-151.3 158.2 37.4 50.5 15.2 35 35 A G E -A 3 0A 2 -32,-1.7 -32,-2.3 -2,-0.3 2,-0.2 -0.943 55.4 -67.7 167.0 176.6 34.1 50.8 13.6 36 36 A E E +A 2 0A 152 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.624 49.4 176.4 -89.8 149.4 30.4 51.6 14.0 37 37 A V - 0 0 17 -36,-1.8 2,-0.3 -2,-0.2 -12,-0.0 -0.982 28.3-117.3-150.2 160.8 28.2 49.2 16.0 38 38 A T > - 0 0 79 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.705 39.6-106.5 -96.8 152.8 24.6 48.8 17.3 39 39 A L H > S+ 0 0 138 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.675 125.9 48.8 -50.6 -15.9 23.9 48.6 21.0 40 40 A A H > S+ 0 0 35 2,-0.2 4,-1.8 3,-0.1 3,-0.4 0.905 110.6 44.4 -89.4 -53.1 23.3 45.0 20.2 41 41 A E H > S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.789 109.3 59.4 -62.3 -28.7 26.5 44.2 18.2 42 42 A F H X S+ 0 0 24 -4,-3.2 4,-1.8 2,-0.2 -1,-0.3 0.902 106.7 46.6 -65.9 -40.3 28.5 46.1 20.8 43 43 A E H X S+ 0 0 65 -4,-0.5 4,-1.5 -3,-0.4 -2,-0.2 0.837 111.9 52.7 -69.0 -32.6 27.2 43.7 23.4 44 44 A R H X S+ 0 0 132 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.906 106.0 51.6 -70.6 -43.5 28.1 40.8 21.1 45 45 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.965 117.5 38.4 -58.1 -53.1 31.7 41.9 20.5 46 46 A K H X S+ 0 0 63 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.765 112.6 61.2 -68.5 -26.4 32.3 42.1 24.2 47 47 A E H >X S+ 0 0 105 -4,-1.5 4,-0.6 2,-0.2 3,-0.6 0.992 114.1 31.5 -62.7 -61.5 30.2 39.0 24.7 48 48 A G H >X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.3 3,-2.2 0.951 117.3 55.4 -61.4 -51.2 32.4 36.8 22.6 49 49 A L H 3< S+ 0 0 11 -4,-2.6 4,-0.4 -5,-0.4 -1,-0.3 0.743 98.8 67.8 -54.1 -21.1 35.6 38.6 23.4 50 50 A K H << S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.6 5,-0.2 0.806 116.0 22.2 -70.5 -30.3 34.6 37.9 27.0 51 51 A K H << S+ 0 0 159 -3,-2.2 -2,-0.2 -4,-0.6 -1,-0.2 0.538 113.6 67.8-111.5 -14.4 35.2 34.2 26.6 52 52 A I S < S+ 0 0 54 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.487 105.1 55.4 -82.4 -3.0 37.6 34.3 23.6 53 53 A I S S- 0 0 18 -4,-0.4 2,-0.7 -5,-0.3 -44,-0.0 -0.914 81.7-125.8-130.3 155.8 40.0 35.9 26.1 54 54 A D >> - 0 0 75 -2,-0.3 4,-2.6 5,-0.0 3,-1.1 -0.870 23.7-148.5-106.7 108.8 41.5 35.0 29.5 55 55 A E T 34 S+ 0 0 97 -2,-0.7 2,-0.9 -5,-0.2 3,-0.2 0.092 81.0 46.9 -59.2-176.9 41.0 37.5 32.2 56 56 A N T 34 S+ 0 0 180 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.105 125.8 37.8 68.9 -28.6 43.6 37.9 35.0 57 57 A S T <4 S+ 0 0 74 -3,-1.1 -1,-0.2 -2,-0.9 -2,-0.2 0.741 107.7 59.1-114.9 -56.2 46.1 37.9 32.1 58 58 A D < - 0 0 24 -4,-2.6 2,-0.4 -3,-0.2 -2,-0.2 -0.334 60.3-151.7 -82.5 160.4 44.8 39.8 29.2 59 59 A S E +B 8 0A 60 -51,-2.3 -51,-3.3 -4,-0.1 2,-0.4 -0.993 11.8 179.0-132.9 130.7 43.6 43.4 28.8 60 60 A V E -B 7 0A 51 -2,-0.4 2,-0.5 -53,-0.2 -53,-0.2 -0.981 6.9-166.8-134.0 123.9 41.0 44.9 26.5 61 61 A I E -B 6 0A 81 -55,-2.9 -55,-2.8 -2,-0.4 2,-0.5 -0.926 1.5-171.5-110.5 131.2 40.0 48.6 26.3 62 62 A I E -B 5 0A 43 -2,-0.5 -57,-0.2 -57,-0.2 2,-0.2 -0.850 8.8-158.0-125.2 95.6 36.9 49.6 24.4 63 63 A Y E -B 4 0A 124 -59,-1.9 -59,-1.2 -2,-0.5 2,-0.7 -0.512 10.5-143.8 -71.1 136.9 36.4 53.4 24.1 64 64 A K E +B 3 0A 135 -2,-0.2 -61,-0.2 -61,-0.2 2,-0.2 -0.847 27.7 170.5-109.5 100.2 32.8 54.4 23.4 65 65 A L E -B 2 0A 56 -63,-2.9 -63,-2.5 -2,-0.7 3,-0.1 -0.587 39.6-130.9-103.9 166.8 32.6 57.4 21.0 66 66 A R S S- 0 0 209 1,-0.2 2,-0.3 -65,-0.2 -1,-0.1 0.762 86.2 -5.9 -88.5 -21.6 29.6 59.0 19.2 67 67 A S S S- 0 0 81 -65,-0.2 -1,-0.2 -66,-0.0 -65,-0.1 -0.980 97.5 -56.6-162.3 167.0 31.3 59.0 15.8 68 68 A M - 0 0 89 -2,-0.3 -32,-0.0 -3,-0.1 -64,-0.0 -0.318 61.5-137.4 -55.8 111.5 34.6 58.3 13.9 69 69 A P - 0 0 37 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.258 17.7-104.7 -69.8 153.1 37.2 60.5 15.7 70 70 A P - 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.439 44.1-166.0 -74.3 158.2 39.8 62.5 13.8 71 71 A R - 0 0 80 -2,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.978 23.5-147.4-145.7 158.3 43.3 61.0 14.0 72 72 A E - 0 0 189 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.998 24.8-162.3-125.9 124.3 46.9 61.9 13.3 73 73 A T - 0 0 64 -2,-0.5 2,-0.3 2,-0.0 4,-0.1 -0.935 7.2-167.5-118.6 136.7 49.0 58.9 12.1 74 74 A L + 0 0 160 -2,-0.4 -2,-0.0 2,-0.1 0, 0.0 -0.756 55.2 8.5-112.6 160.5 52.8 58.6 12.0 75 75 A G S S- 0 0 71 -2,-0.3 2,-0.4 2,-0.1 -2,-0.0 -0.033 118.2 -6.0 64.0-171.6 54.8 55.9 10.3 76 76 A I S S- 0 0 150 1,-0.1 2,-0.8 2,-0.1 -2,-0.1 -0.370 75.4-126.3 -58.3 110.4 53.4 53.4 7.8 77 77 A E - 0 0 103 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.463 13.7-150.5 -62.4 104.0 49.6 53.8 7.9 78 78 A K S S+ 0 0 89 -2,-0.8 -1,-0.2 1,-0.2 -49,-0.1 0.603 82.5 8.7 -52.9 -10.8 48.6 50.3 8.6 79 79 A N S S- 0 0 39 5,-0.0 -1,-0.2 0, 0.0 5,-0.1 -0.731 82.9-111.7-175.7 121.3 45.5 51.1 6.7 80 80 A P > - 0 0 56 0, 0.0 4,-0.8 0, 0.0 3,-0.4 -0.315 26.9-128.6 -58.1 131.4 44.3 54.1 4.5 81 81 A I T >4 S+ 0 0 57 1,-0.2 3,-0.5 2,-0.2 -53,-0.0 0.837 109.1 50.8 -49.5 -38.3 41.5 56.1 6.1 82 82 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.886 96.7 67.2 -68.5 -42.3 39.5 55.8 2.9 83 83 A E T 34 0 0 136 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.2 0.708 360.0 360.0 -54.7 -25.8 39.9 52.0 2.5 84 84 A I << 0 0 88 -4,-0.8 -49,-0.1 -3,-0.5 -56,-0.0 -0.148 360.0 360.0 -65.2 360.0 37.7 51.3 5.6