==== 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 03-JAN-08 3BUT . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN AF_0446; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR J.B.BONANNO,Y.PATSKOVSKY,S.OZYURT,S.ASHOK,F.ZHANG,C.GROSHONG . 125 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 78.4 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 . 58 46.4 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 21 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 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 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 1 1 0 0 0 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 A S 0 0 76 0, 0.0 25,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.5 -30.9 0.8 1.8 2 1 A L E +A 25 0A 81 23,-0.2 23,-0.2 1,-0.2 3,-0.1 -0.759 360.0 179.1 -86.4 122.6 -27.2 1.4 1.6 3 2 A E E - 0 0 108 21,-3.6 2,-0.3 -2,-0.5 -1,-0.2 0.870 60.9 -17.4 -92.2 -42.7 -25.3 -0.8 4.1 4 3 A S E -A 24 0A 42 20,-0.9 20,-2.4 2,-0.0 2,-0.4 -0.979 48.5-150.7-159.8 153.8 -21.6 0.2 3.4 5 4 A V E -A 23 0A 86 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.998 14.9-175.1-130.3 130.5 -19.3 1.8 0.9 6 5 A K E -A 22 0A 134 16,-1.8 16,-2.4 -2,-0.4 2,-0.3 -0.990 8.9-155.2-128.8 124.9 -15.7 0.9 0.5 7 6 A A E +A 21 0A 83 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.750 20.2 161.5 -97.5 144.0 -13.2 2.6 -1.9 8 7 A X E -A 20 0A 114 12,-2.1 12,-3.2 -2,-0.3 2,-0.2 -0.964 42.0 -93.4-150.3 161.9 -10.1 1.0 -3.3 9 8 A W E -A 19 0A 189 -2,-0.3 10,-0.2 10,-0.2 2,-0.1 -0.538 40.5-166.3 -75.3 145.5 -7.7 1.6 -6.2 10 9 A G - 0 0 24 8,-2.6 2,-0.5 -2,-0.2 8,-0.1 -0.153 49.8 -29.8-108.0-152.8 -8.4 -0.1 -9.4 11 10 A V - 0 0 109 -2,-0.1 2,-0.5 6,-0.1 7,-0.4 -0.548 65.6-168.7 -68.5 116.3 -6.3 -0.7 -12.6 12 11 A V + 0 0 78 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.954 11.4 168.3-115.0 124.6 -4.0 2.3 -12.8 13 12 A T - 0 0 69 3,-2.8 5,-0.0 -2,-0.5 0, 0.0 -0.525 51.9 -95.0-115.5-173.3 -1.9 3.0 -15.9 14 13 A D S S+ 0 0 156 -2,-0.2 3,-0.1 1,-0.1 62,-0.0 0.684 124.2 40.5 -78.1 -18.4 0.1 5.9 -17.1 15 14 A S S S+ 0 0 74 1,-0.3 61,-1.3 60,-0.1 2,-0.3 0.736 122.4 24.7 -99.7 -30.9 -2.9 7.2 -19.1 16 15 A Q E - B 0 75A 80 59,-0.2 -3,-2.8 60,-0.1 2,-0.4 -0.998 58.2-152.5-144.0 143.6 -5.8 6.6 -16.8 17 16 A T E - B 0 74A 28 57,-1.9 57,-3.0 -2,-0.3 2,-0.4 -0.958 15.6-157.3-115.5 129.5 -6.4 6.2 -13.0 18 17 A E E - B 0 73A 22 -2,-0.4 -8,-2.6 -7,-0.4 2,-0.4 -0.895 8.7-169.2-110.9 135.0 -9.3 4.1 -11.7 19 18 A I E -AB 9 72A 41 53,-2.6 53,-3.3 -2,-0.4 2,-0.5 -0.975 14.0-152.7-113.9 135.1 -11.0 4.3 -8.3 20 19 A V E -AB 8 71A 13 -12,-3.2 -12,-2.1 -2,-0.4 2,-0.4 -0.954 6.5-165.6-113.4 121.0 -13.4 1.5 -7.4 21 20 A A E -AB 7 70A 9 49,-2.5 49,-2.7 -2,-0.5 2,-0.6 -0.892 4.4-160.0-100.8 133.2 -16.3 2.1 -5.0 22 21 A L E -AB 6 69A 57 -16,-2.4 -16,-1.8 -2,-0.4 2,-0.6 -0.936 9.2-171.4-116.8 108.6 -18.1 -1.0 -3.6 23 22 A A E -AB 5 68A 6 45,-2.6 45,-3.6 -2,-0.6 2,-0.7 -0.881 14.4-149.7-105.4 119.4 -21.6 -0.3 -2.3 24 23 A K E -AB 4 67A 75 -20,-2.4 -21,-3.6 -2,-0.6 -20,-0.9 -0.784 24.5-175.0 -83.8 112.6 -23.5 -3.0 -0.4 25 24 A V E -AB 2 66A 26 41,-3.0 41,-2.8 -2,-0.7 2,-0.5 -0.904 16.1-155.7-113.2 139.5 -27.2 -2.4 -1.0 26 25 A R E - B 0 65A 101 -25,-2.9 2,-0.7 -2,-0.4 39,-0.2 -0.963 17.7-134.5-110.6 127.9 -30.2 -4.1 0.5 27 26 A N + 0 0 2 37,-2.8 36,-1.2 -2,-0.5 -2,-0.0 -0.737 23.5 178.3 -82.3 114.9 -33.5 -4.1 -1.5 28 27 A E + 0 0 144 -2,-0.7 2,-0.2 34,-0.1 -1,-0.1 0.146 53.9 88.4-105.2 17.6 -36.3 -3.3 0.9 29 28 A D S S- 0 0 78 2,-0.3 34,-0.7 1,-0.0 4,-0.1 -0.580 81.9-123.0-103.7 172.3 -39.0 -3.4 -1.7 30 29 A V S S+ 0 0 130 -2,-0.2 -1,-0.0 32,-0.1 -3,-0.0 0.480 95.8 61.0 -94.0 -3.5 -41.1 -6.4 -2.8 31 30 A V S S- 0 0 61 30,-0.1 -2,-0.3 1,-0.0 32,-0.2 -0.779 97.0 -92.6-116.1 161.1 -40.0 -5.9 -6.5 32 31 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 29,-0.2 -0.496 29.7-134.9 -78.8 148.9 -36.4 -5.9 -7.9 33 32 A I E -C 60 0B 37 27,-2.1 27,-2.7 -2,-0.2 2,-0.5 -0.816 15.1-158.7 -93.0 134.6 -34.3 -2.8 -8.2 34 33 A V E -CD 59 104B 37 70,-1.2 70,-3.3 -2,-0.4 2,-0.8 -0.987 7.1-164.7-112.3 124.0 -32.4 -2.4 -11.5 35 34 A V E -CD 58 103B 11 23,-3.0 23,-1.9 -2,-0.5 68,-0.2 -0.903 9.7-177.9 -99.7 99.1 -29.3 -0.1 -11.5 36 35 A S E - 0 0 12 66,-1.8 20,-0.4 -2,-0.8 2,-0.3 0.735 58.4 -53.7 -73.1 -23.2 -29.0 0.3 -15.3 37 36 A G E - D 0 102B 0 65,-0.8 65,-2.8 18,-0.2 2,-0.3 -0.968 53.3-116.4 172.5-166.2 -25.9 2.5 -14.9 38 37 A Y E -ED 54 101B 4 16,-1.4 16,-2.2 -2,-0.3 2,-0.4 -0.987 7.1-136.8-158.8 146.2 -24.4 5.5 -13.3 39 38 A H E -ED 53 100B 58 61,-2.2 61,-3.7 -2,-0.3 2,-0.4 -0.877 27.5-168.5-100.8 141.6 -23.0 9.0 -14.0 40 39 A Y E -ED 52 99B 17 12,-3.1 12,-2.4 -2,-0.4 2,-0.3 -0.979 11.3-176.7-132.2 148.0 -19.9 10.1 -12.0 41 40 A T E -ED 51 98B 31 57,-2.3 57,-2.7 -2,-0.4 2,-0.4 -0.995 7.0-167.0-135.8 142.7 -18.0 13.3 -11.5 42 41 A I E -ED 50 97B 6 8,-2.3 8,-1.5 -2,-0.3 7,-1.3 -0.982 10.2-174.0-126.4 120.1 -14.8 14.1 -9.6 43 42 A E E -ED 48 96B 66 53,-3.0 53,-2.9 -2,-0.4 2,-0.4 -0.937 6.4-172.6-112.7 137.5 -14.0 17.8 -9.0 44 43 A X E > S-ED 47 95B 16 3,-2.6 3,-1.8 -2,-0.4 51,-0.2 -0.969 78.9 -24.0-131.7 112.9 -10.7 18.9 -7.4 45 44 A N T 3 S- 0 0 39 49,-2.1 3,-0.1 -2,-0.4 50,-0.1 0.792 126.7 -52.0 48.4 37.3 -10.5 22.7 -6.6 46 45 A G T 3 S+ 0 0 52 48,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.531 111.9 122.4 78.2 5.0 -13.2 23.4 -9.2 47 46 A V E < -E 44 0B 17 -3,-1.8 -3,-2.6 35,-0.0 2,-1.3 -0.908 62.4-137.7 -92.5 123.6 -11.3 21.5 -12.0 48 47 A K E +E 43 0B 92 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.683 32.0 169.3 -84.2 93.5 -13.5 18.7 -13.3 49 48 A V E + 0 0 1 -7,-1.3 26,-0.8 -2,-1.3 2,-0.3 0.624 65.0 28.5 -84.7 -16.6 -11.0 15.9 -13.5 50 49 A A E +E 42 0B 6 -8,-1.5 -8,-2.3 24,-0.2 2,-0.2 -0.990 55.9 158.2-146.3 141.2 -13.6 13.1 -14.2 51 50 A D E +E 41 0B 86 -2,-0.3 2,-0.3 22,-0.3 -10,-0.2 -0.700 27.4 137.8-163.3 97.8 -17.0 13.1 -15.8 52 51 A G E -E 40 0B 15 -12,-2.4 -12,-3.1 -2,-0.2 2,-0.4 -0.959 41.5-138.4-148.3 162.8 -18.4 9.9 -17.2 53 52 A Y E -E 39 0B 114 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.996 16.5-162.2-123.6 129.9 -21.3 7.5 -17.7 54 53 A E E -E 38 0B 51 -16,-2.2 -16,-1.4 -2,-0.4 2,-0.9 -0.918 8.7-151.2-108.9 127.6 -21.0 3.7 -17.4 55 54 A N + 0 0 119 -2,-0.4 -18,-0.2 -18,-0.2 -19,-0.1 -0.769 43.1 133.9-101.4 92.0 -23.7 1.4 -18.8 56 55 A S - 0 0 40 -2,-0.9 2,-0.2 -20,-0.4 -21,-0.1 -0.774 41.4-150.4-140.3 93.1 -23.7 -1.8 -16.7 57 56 A P + 0 0 90 0, 0.0 2,-0.4 0, 0.0 -21,-0.3 -0.433 18.9 176.1 -73.6 134.1 -27.1 -3.0 -15.6 58 57 A V E -C 35 0B 56 -23,-1.9 -23,-3.0 -2,-0.2 2,-0.3 -0.999 16.5-146.7-137.2 130.9 -27.4 -4.9 -12.3 59 58 A T E -C 34 0B 85 -2,-0.4 2,-0.5 -25,-0.2 -25,-0.2 -0.779 1.7-157.8 -95.0 144.9 -30.5 -6.3 -10.5 60 59 A V E -C 33 0B 1 -27,-2.7 -27,-2.1 -2,-0.3 3,-0.1 -0.993 25.2-133.3-113.6 119.7 -31.0 -6.5 -6.8 61 60 A K > - 0 0 146 -2,-0.5 3,-2.0 -29,-0.2 -34,-0.4 -0.335 38.2 -80.3 -69.6 150.7 -33.6 -9.2 -6.0 62 61 A P T 3 S+ 0 0 51 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 -0.296 115.5 3.3 -54.9 136.3 -36.4 -8.3 -3.5 63 62 A A T 3 S+ 0 0 70 -36,-1.2 2,-0.2 -34,-0.7 -35,-0.1 0.412 109.6 116.7 65.8 2.8 -35.2 -8.6 0.2 64 63 A S < - 0 0 51 -3,-2.0 -37,-2.8 -38,-0.0 2,-0.4 -0.593 59.7-133.5 -98.0 159.8 -31.7 -9.5 -1.1 65 64 A A E -B 26 0A 27 -39,-0.2 2,-0.3 -2,-0.2 -39,-0.2 -0.928 23.8-177.8-113.7 141.1 -28.4 -7.7 -0.6 66 65 A T E -B 25 0A 37 -41,-2.8 -41,-3.0 -2,-0.4 2,-0.6 -0.997 26.8-128.6-140.3 136.3 -25.9 -7.0 -3.4 67 66 A T E -B 24 0A 76 -2,-0.3 2,-0.4 -43,-0.2 -43,-0.3 -0.805 28.4-157.1 -84.2 120.9 -22.5 -5.4 -3.7 68 67 A L E -B 23 0A 15 -45,-3.6 -45,-2.6 -2,-0.6 2,-0.5 -0.832 3.6-144.8 -98.0 141.7 -22.5 -2.8 -6.5 69 68 A K E -B 22 0A 108 -2,-0.4 2,-0.5 -47,-0.2 -47,-0.2 -0.922 11.5-170.4-112.7 124.8 -19.3 -1.8 -8.2 70 69 A F E -B 21 0A 17 -49,-2.7 -49,-2.5 -2,-0.5 2,-0.7 -0.963 8.9-156.7-115.4 116.2 -18.7 1.8 -9.5 71 70 A S E -B 20 0A 0 -2,-0.5 2,-0.7 -51,-0.2 -51,-0.2 -0.849 8.5-168.5 -95.9 112.3 -15.6 2.3 -11.6 72 71 A L E -B 19 0A 7 -53,-3.3 -53,-2.6 -2,-0.7 2,-0.4 -0.898 7.3-165.6-106.7 110.5 -14.6 6.0 -11.5 73 72 A R E -B 18 0A 73 -2,-0.7 2,-0.6 -55,-0.2 -22,-0.3 -0.812 7.1-156.1-104.2 135.1 -12.0 6.8 -14.1 74 73 A L E -B 17 0A 10 -57,-3.0 -57,-1.9 -2,-0.4 2,-0.5 -0.938 11.1-143.4-111.6 117.0 -9.8 9.9 -14.2 75 74 A N E >> -B 16 0A 76 -26,-0.8 4,-0.8 -2,-0.6 3,-0.8 -0.677 15.2-143.9 -70.4 124.3 -8.3 11.1 -17.5 76 75 A N H 3> S+ 0 0 33 -61,-1.3 4,-1.8 -2,-0.5 5,-0.1 0.717 92.7 69.8 -69.9 -22.9 -4.8 12.4 -16.5 77 76 A S H 34 S+ 0 0 60 -62,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.858 104.7 42.4 -62.7 -36.9 -4.9 15.4 -18.9 78 77 A F H <4 S+ 0 0 94 -3,-0.8 3,-0.4 -29,-0.2 4,-0.3 0.707 111.0 58.2 -76.5 -23.9 -7.6 17.0 -16.8 79 78 A L H >X S+ 0 0 34 -4,-0.8 4,-1.1 1,-0.2 3,-0.6 0.767 96.4 62.3 -75.0 -26.6 -5.6 15.9 -13.7 80 79 A R T 3< S+ 0 0 171 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.636 101.5 51.1 -74.2 -16.7 -2.5 17.9 -15.0 81 80 A E T 3> S+ 0 0 100 -3,-0.4 4,-0.6 -4,-0.3 -1,-0.2 0.513 101.5 62.4 -96.8 -5.6 -4.5 21.1 -14.7 82 81 A W H X> S+ 0 0 33 -3,-0.6 4,-1.8 -4,-0.3 3,-0.8 0.864 90.4 68.3 -75.7 -40.4 -5.5 20.4 -11.2 83 82 A W H 3X S+ 0 0 109 -4,-1.1 4,-1.8 1,-0.3 5,-0.3 0.835 94.0 56.5 -50.7 -41.3 -1.9 20.4 -10.1 84 83 A V H 3> S+ 0 0 95 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.920 110.0 45.2 -51.1 -49.5 -1.7 24.2 -10.7 85 84 A T H <>S+ 0 0 0 -4,-1.8 6,-1.4 2,-0.2 5,-1.1 0.975 113.0 34.9 -61.5 -57.4 -3.2 22.4 -5.6 87 86 A I H ><5S+ 0 0 85 -4,-1.8 3,-1.9 4,-0.2 4,-0.2 0.866 112.0 63.0 -67.5 -34.9 -0.0 24.4 -5.1 88 87 A A H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.787 102.2 52.0 -57.7 -29.8 -1.8 27.7 -5.7 89 88 A N T <<5S- 0 0 86 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.092 134.4 -88.9 -95.2 24.7 -3.9 27.0 -2.6 90 89 A G T < 5S- 0 0 52 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.859 84.4 -54.3 72.8 38.9 -0.8 26.3 -0.5 91 90 A E S