==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-NOV-12 4HXF . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN PH0594; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.KISS-SZEMAN,D.K.MENYHARD,E.TICHY-RACS,B.HORNUNG,K.RADI,Z.S . 613 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 2 0 1 2 0 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 1 3 2 5 8 2 2 0 1 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 5 0 0 0 2 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 4 B I 0 0 75 0, 0.0 2,-0.3 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 125.0 14.4 -30.2 -23.0 2 5 B E - 0 0 68 340,-0.1 2,-0.6 0, 0.0 4,-0.1 -0.865 360.0-101.2-126.4 156.0 13.8 -33.5 -20.9 3 6 B W + 0 0 33 -2,-0.3 2,-0.2 398,-0.1 339,-0.0 -0.736 67.3 113.4 -82.4 126.5 10.4 -35.3 -19.8 4 7 B D S > S- 0 0 53 -2,-0.6 3,-0.9 398,-0.0 4,-0.3 -0.827 83.0 -60.3-165.3-164.8 9.4 -34.6 -16.3 5 8 B E T 3 S+ 0 0 30 -2,-0.2 584,-0.2 1,-0.2 585,-0.2 0.587 129.4 47.0 -73.3 -6.1 6.7 -32.9 -14.3 6 9 B K T > S+ 0 0 95 1,-0.1 3,-1.8 -4,-0.1 4,-0.2 0.437 79.3 95.8-110.4 -9.9 7.5 -29.4 -15.9 7 10 B T G X S+ 0 0 1 -3,-0.9 3,-2.5 1,-0.3 4,-0.3 0.834 73.1 68.6 -57.7 -28.6 7.8 -30.3 -19.6 8 11 B F G > S+ 0 0 0 -4,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.749 92.1 63.3 -63.6 -21.0 4.1 -29.3 -20.2 9 12 B T G < S+ 0 0 24 -3,-1.8 -1,-0.3 1,-0.2 22,-0.2 0.600 91.2 63.4 -76.4 -16.0 5.2 -25.7 -19.6 10 13 B K G < S+ 0 0 64 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 0.525 87.9 92.4 -86.3 -12.1 7.5 -25.7 -22.6 11 14 B F S < S- 0 0 0 -3,-0.9 2,-0.5 -4,-0.3 20,-0.4 -0.617 72.2-130.3 -87.9 152.1 4.7 -26.1 -25.1 12 15 B A - 0 0 9 -2,-0.3 2,-0.5 18,-0.1 18,-0.2 -0.826 22.5-152.6 -93.1 132.3 2.7 -23.5 -27.0 13 16 B Y E -A 29 0A 58 16,-2.5 16,-2.8 -2,-0.5 2,-0.4 -0.916 9.1-162.4-114.4 120.8 -1.0 -24.1 -26.7 14 17 B L E +A 28 0A 17 -2,-0.5 2,-0.3 305,-0.3 14,-0.2 -0.819 18.2 153.6-104.2 144.0 -3.3 -22.9 -29.5 15 18 B S E +A 27 0A 50 12,-2.1 12,-2.8 -2,-0.4 286,-0.1 -0.955 40.6 38.3-155.0 165.8 -7.0 -22.3 -29.4 16 19 B D E - 0 0 44 -2,-0.3 2,-0.2 10,-0.2 -1,-0.1 0.895 62.6-160.8 61.9 53.2 -10.1 -20.4 -30.8 17 20 B P E + 0 0 6 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.497 12.9 178.7 -65.2 138.1 -9.2 -20.2 -34.5 18 21 B R E -A 25 0A 54 7,-2.7 7,-2.9 -2,-0.2 2,-0.4 -0.983 6.3-172.1-139.1 144.0 -11.2 -17.4 -36.4 19 22 B T E +A 24 0A 1 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.999 13.8 167.0-142.9 139.6 -11.0 -16.4 -40.0 20 23 B R E > -A 23 0A 26 3,-1.5 3,-2.2 -2,-0.4 2,-0.1 -0.953 68.7 -41.3-145.0 129.8 -12.5 -13.5 -42.1 21 24 B K T 3 S- 0 0 68 -2,-0.3 284,-0.1 1,-0.3 286,-0.1 -0.205 124.7 -13.4 55.0-127.0 -11.2 -12.9 -45.5 22 25 B N T 3 S+ 0 0 65 -2,-0.1 25,-2.6 45,-0.1 26,-0.5 0.407 119.0 91.0 -86.2 0.8 -7.4 -13.1 -45.9 23 26 B L E < -AB 20 46A 12 -3,-2.2 -3,-1.5 23,-0.2 2,-0.4 -0.749 51.0-169.5-106.7 147.3 -6.9 -13.1 -42.0 24 27 B V E -AB 19 45A 0 21,-2.2 21,-3.4 -2,-0.3 2,-0.3 -0.982 8.1-171.7-123.8 138.9 -6.6 -15.8 -39.4 25 28 B A E +AB 18 44A 0 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.3 -0.951 13.2 155.6-126.6 151.0 -6.7 -15.1 -35.6 26 29 B Y E - B 0 43A 0 17,-1.9 17,-3.0 -2,-0.3 2,-0.5 -0.967 39.4-102.5-160.6 171.9 -6.1 -17.5 -32.8 27 30 B V E -AB 15 42A 3 -12,-2.8 -12,-2.1 -2,-0.3 2,-0.5 -0.894 21.2-157.4-110.7 127.6 -5.0 -17.5 -29.1 28 31 B L E -AB 14 41A 31 13,-3.2 13,-2.2 -2,-0.5 2,-0.4 -0.961 17.4-167.1-102.2 119.2 -1.5 -18.6 -28.1 29 32 B T E -AB 13 40A 22 -16,-2.8 -16,-2.5 -2,-0.5 2,-0.4 -0.940 8.4-172.0-114.6 135.9 -1.4 -19.7 -24.4 30 33 B K E - B 0 39A 74 9,-2.1 9,-2.8 -2,-0.4 2,-0.8 -0.984 21.7-136.4-123.1 137.0 1.6 -20.3 -22.2 31 34 B A E - B 0 38A 5 -20,-0.4 2,-0.8 -2,-0.4 7,-0.2 -0.849 21.3-159.8 -89.4 112.7 1.8 -21.9 -18.8 32 35 B N E >> - B 0 37A 38 5,-2.9 5,-1.4 -2,-0.8 4,-1.0 -0.818 8.9-173.3 -97.7 104.1 4.1 -19.7 -16.8 33 36 B L T 45S+ 0 0 27 -2,-0.8 -1,-0.2 3,-0.2 550,-0.1 0.904 80.5 54.5 -67.5 -34.9 5.4 -21.7 -13.8 34 37 B E T 45S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.910 119.7 30.6 -67.1 -48.4 7.2 -18.8 -12.2 35 38 B S T 45S- 0 0 57 2,-0.2 -1,-0.2 547,-0.0 -2,-0.2 0.569 104.1-132.0 -80.3 -15.7 4.3 -16.5 -12.1 36 39 B N T <5 + 0 0 33 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.867 66.0 111.6 59.2 45.8 1.8 -19.4 -11.8 37 40 B K E < -B 32 0A 88 -5,-1.4 -5,-2.9 544,-0.1 2,-0.4 -0.962 69.9-116.7-141.1 155.0 -0.4 -18.1 -14.5 38 41 B Y E -B 31 0A 75 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.780 30.5-150.2 -85.4 134.7 -1.6 -18.8 -18.0 39 42 B E E -B 30 0A 79 -9,-2.8 -9,-2.1 -2,-0.4 2,-0.4 -0.929 8.9-160.3-109.6 134.1 -0.6 -16.1 -20.5 40 43 B N E +B 29 0A 50 -2,-0.4 18,-1.1 -11,-0.2 17,-0.8 -0.969 11.8 176.5-122.2 129.7 -2.8 -15.4 -23.5 41 44 B T E -BC 28 56A 21 -13,-2.2 -13,-3.2 -2,-0.4 2,-0.5 -0.999 23.3-138.7-129.7 126.0 -1.8 -13.7 -26.7 42 45 B I E -BC 27 55A 0 13,-2.9 13,-2.4 -2,-0.4 2,-0.5 -0.754 19.6-160.7 -83.3 133.6 -4.0 -13.2 -29.7 43 46 B V E -BC 26 54A 0 -17,-3.0 -17,-1.9 -2,-0.5 2,-0.5 -0.941 3.6-163.0-114.2 133.0 -2.0 -13.8 -33.0 44 47 B I E -BC 25 53A 1 9,-3.0 9,-2.4 -2,-0.5 2,-0.4 -0.978 8.4-166.3-118.1 119.3 -3.4 -12.4 -36.3 45 48 B E E -BC 24 52A 7 -21,-3.4 -21,-2.2 -2,-0.5 2,-0.7 -0.902 14.1-147.6-109.2 138.1 -1.9 -13.9 -39.4 46 49 B N E >>> -BC 23 51A 36 5,-2.4 4,-3.0 -2,-0.4 3,-2.3 -0.923 3.5-157.5-107.5 115.5 -2.2 -12.5 -42.8 47 50 B L T 345S+ 0 0 32 -25,-2.6 -1,-0.2 -2,-0.7 -24,-0.1 0.736 92.1 72.1 -71.9 -25.2 -2.3 -15.4 -45.3 48 51 B E T 345S+ 0 0 67 -26,-0.5 -1,-0.3 1,-0.1 -25,-0.1 0.846 123.4 4.3 -40.5 -47.1 -1.2 -12.7 -47.8 49 52 B D T <45S- 0 0 79 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.1 0.597 85.9-120.7-119.4 -14.3 2.4 -12.7 -46.0 50 53 B G T <5S+ 0 0 49 -4,-3.0 -3,-0.2 1,-0.3 2,-0.1 0.413 70.7 148.0 72.6 -4.5 2.6 -15.4 -43.2 51 54 B S E < -C 46 0A 63 -5,-0.6 -5,-2.4 -6,-0.1 2,-0.4 -0.329 35.7-150.0 -50.2 140.1 3.2 -12.1 -41.4 52 55 B R E -C 45 0A 98 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.966 16.4-175.7-128.6 141.7 1.9 -12.0 -37.7 53 56 B K E -C 44 0A 66 -9,-2.4 -9,-3.0 -2,-0.4 2,-0.3 -0.826 16.8-138.3-130.4 165.5 0.7 -9.3 -35.4 54 57 B F E -C 43 0A 124 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.939 21.6-163.5-135.9 147.6 -0.3 -9.5 -31.8 55 58 B I E -C 42 0A 11 -13,-2.4 -13,-2.9 -2,-0.3 3,-0.4 -0.955 36.5-142.6-126.3 110.1 -2.8 -8.4 -29.2 56 59 B E E S+C 41 0A 100 -2,-0.5 -15,-0.2 -15,-0.2 3,-0.1 -0.383 70.1 8.3 -84.4 148.6 -1.1 -9.1 -25.9 57 60 B D S S+ 0 0 98 -17,-0.8 2,-0.3 1,-0.2 18,-0.2 0.938 105.5 112.2 49.7 56.4 -2.9 -10.3 -22.6 58 61 B A + 0 0 1 -18,-1.1 2,-0.3 -3,-0.4 16,-0.2 -0.983 38.6 173.7-151.2 157.0 -6.1 -11.0 -24.5 59 62 B S E +D 73 0B 17 14,-2.4 14,-2.7 -2,-0.3 -17,-0.1 -0.840 50.4 67.4-152.6-170.7 -8.4 -13.7 -25.7 60 63 B M E - 0 0 25 -2,-0.3 -1,-0.1 12,-0.2 2,-0.1 0.894 63.9-162.8 53.4 54.5 -11.8 -14.4 -27.4 61 64 B P E - 0 0 0 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.385 11.6-179.2 -65.9 131.5 -10.8 -12.9 -30.7 62 65 B R E -D 71 0B 32 9,-2.6 9,-3.0 -2,-0.1 2,-0.4 -0.942 15.3-150.3-134.0 109.5 -13.8 -12.1 -32.9 63 66 B I E -D 70 0B 12 -2,-0.4 7,-0.3 7,-0.2 44,-0.2 -0.657 24.8-114.9 -78.6 131.5 -13.2 -10.7 -36.3 64 67 B S > - 0 0 0 5,-3.2 3,-2.4 -2,-0.4 45,-0.1 -0.300 24.9-113.9 -66.5 151.5 -16.0 -8.4 -37.6 65 68 B P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -44,-0.1 0.838 117.8 53.8 -53.4 -36.0 -17.9 -9.6 -40.7 66 69 B D T 3 S- 0 0 52 1,-0.1 -2,-0.1 -46,-0.1 -46,-0.0 0.473 109.1-126.2 -77.8 -2.8 -16.5 -6.8 -42.8 67 70 B G S < S+ 0 0 13 -3,-2.4 -47,-0.1 2,-0.2 -45,-0.1 0.547 82.5 107.0 65.7 14.6 -13.0 -7.8 -41.8 68 71 B K S S+ 0 0 140 20,-0.1 20,-2.3 1,-0.1 21,-0.5 0.664 75.9 28.7 -93.8 -25.9 -12.1 -4.3 -40.5 69 72 B K E - E 0 87B 45 18,-0.3 -5,-3.2 19,-0.1 2,-0.4 -0.921 57.5-147.7-138.2 159.1 -12.1 -4.8 -36.8 70 73 B I E -DE 63 86B 0 16,-2.4 16,-3.0 -2,-0.3 2,-0.3 -0.999 10.8-155.8-130.5 128.8 -11.5 -7.4 -34.1 71 74 B A E +DE 62 85B 0 -9,-3.0 -9,-2.6 -2,-0.4 2,-0.3 -0.753 24.1 163.6 -93.4 150.9 -13.3 -7.5 -30.8 72 75 B F E - 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0 0 103 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.555 7.9-177.2 -79.1 86.6 6.7 -39.6 2.2 609 613 B V H > S+ 0 0 74 -2,-1.6 4,-2.1 1,-0.2 5,-0.2 0.826 76.4 59.5 -62.5 -29.1 5.3 -36.8 -0.0 610 614 B E H > S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.981 116.3 33.7 -62.2 -48.1 7.4 -34.1 1.7 611 615 B K H 4 S+ 0 0 86 2,-0.2 3,-0.2 1,-0.2 -2,-0.2 0.935 117.8 52.5 -69.0 -49.3 10.7 -35.9 0.7 612 616 B I H < S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.846 117.3 39.0 -64.0 -36.4 9.4 -37.3 -2.7 613 617 B L H < 0 0 56 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.669 360.0 360.0 -91.0 -17.0 8.3 -33.8 -3.9 614 618 B K < 0 0 123 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.681 360.0 360.0-148.5 360.0 11.1 -31.6 -2.5