==== 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 09-NOV-12 4HXE . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN PH0594; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR E.TICHY-RACS,B.HORNUNG,K.RADI,D.K.MENYHARD,A.KISS-SZEMAN,Z.S . 606 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 397 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 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 1 1 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 6 6 4 1 1 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 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 5 B E 0 0 121 0, 0.0 2,-0.4 0, 0.0 338,-0.0 0.000 360.0 360.0 360.0 136.1 23.1 29.5 51.7 2 6 B W + 0 0 19 391,-0.1 2,-0.3 390,-0.1 337,-0.0 -0.709 360.0 135.3 -85.4 133.5 25.4 26.5 52.6 3 7 B D S > S- 0 0 55 -2,-0.4 3,-0.9 394,-0.0 4,-0.4 -0.864 71.0 -64.1-154.5-161.1 25.1 25.2 56.1 4 8 B E T 3 S+ 0 0 31 -2,-0.3 580,-0.2 1,-0.2 581,-0.2 0.650 129.4 47.3 -69.0 -12.8 24.9 22.0 58.2 5 9 B K T > S+ 0 0 93 1,-0.1 3,-2.2 2,-0.1 4,-0.3 0.546 81.1 94.1-104.0 -11.2 21.5 21.2 56.5 6 10 B T G X S+ 0 0 1 -3,-0.9 3,-2.4 1,-0.3 4,-0.3 0.805 74.2 65.3 -56.2 -40.9 22.3 21.8 52.9 7 11 B F G > S+ 0 0 0 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.719 93.1 65.1 -52.9 -25.6 23.2 18.1 52.2 8 12 B T G < S+ 0 0 27 -3,-2.2 -1,-0.3 1,-0.2 22,-0.2 0.636 91.8 64.0 -73.4 -10.5 19.5 17.3 52.9 9 13 B K G < S+ 0 0 101 -3,-2.4 2,-0.2 -4,-0.3 -1,-0.2 0.569 86.3 89.2 -89.0 -11.7 18.4 19.3 49.9 10 14 B F S < S- 0 0 0 -3,-0.9 2,-0.4 -4,-0.3 20,-0.4 -0.622 72.9-129.3 -92.4 150.6 20.2 17.0 47.3 11 15 B A - 0 0 8 -2,-0.2 2,-0.5 18,-0.1 18,-0.2 -0.793 24.4-151.1 -90.5 133.2 18.8 14.0 45.5 12 16 B Y E -A 28 0A 60 16,-2.7 16,-2.6 -2,-0.4 2,-0.4 -0.939 9.7-162.1-113.0 118.4 21.3 11.1 45.8 13 17 B L E +A 27 0A 14 -2,-0.5 2,-0.3 303,-0.3 14,-0.2 -0.740 18.7 155.1-101.7 140.7 21.3 8.6 42.9 14 18 B S E +A 26 0A 51 12,-2.1 12,-2.9 -2,-0.4 284,-0.1 -0.978 40.4 34.5-151.1 170.2 22.8 5.1 43.2 15 19 B D E - 0 0 41 -2,-0.3 2,-0.2 10,-0.2 -1,-0.2 0.906 64.2-160.7 55.1 57.7 22.7 1.5 41.8 16 20 B P E - 0 0 5 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.482 11.8-179.4 -73.6 142.6 21.9 2.0 38.2 17 21 B R E -A 24 0A 59 7,-2.8 7,-2.8 -2,-0.2 2,-0.4 -0.992 6.4-172.6-142.4 145.7 20.6 -0.9 36.2 18 22 B T E +A 23 0A 0 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 11.6 166.8-147.2 134.1 19.6 -1.4 32.6 19 23 B R E > -A 22 0A 32 3,-1.6 3,-2.7 -2,-0.4 46,-0.1 -0.986 68.7 -35.5-140.3 143.0 18.0 -4.1 30.5 20 24 B K T 3 S- 0 0 68 -2,-0.3 283,-0.2 1,-0.3 284,-0.2 -0.148 127.3 -20.0 42.1-125.7 16.6 -3.5 27.0 21 25 B N T 3 S+ 0 0 71 282,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.337 119.0 96.6 -89.9 1.3 15.1 -0.0 26.7 22 26 B L E < -A 19 0A 16 -3,-2.7 -3,-1.6 282,-0.0 2,-0.4 -0.748 47.6-172.7 -99.1 143.4 14.7 0.4 30.6 23 27 B V E -AB 18 44A 0 21,-2.1 21,-3.2 -2,-0.3 2,-0.3 -0.989 6.7-176.7-121.6 144.0 16.9 2.0 33.2 24 28 B A E +AB 17 43A 0 -7,-2.8 -7,-2.8 -2,-0.4 2,-0.3 -0.963 10.0 156.9-131.2 152.8 16.3 1.8 36.9 25 29 B Y E - B 0 42A 0 17,-1.9 17,-2.7 -2,-0.3 2,-0.5 -0.948 39.7 -98.4-159.0 175.3 18.2 3.4 39.8 26 30 B V E -AB 14 41A 2 -12,-2.9 -12,-2.1 -2,-0.3 2,-0.5 -0.913 22.0-157.4-107.5 133.2 17.6 4.4 43.4 27 31 B L E -AB 13 40A 29 13,-3.5 13,-2.3 -2,-0.5 2,-0.4 -0.937 17.2-170.8-105.2 120.7 16.7 8.0 44.5 28 32 B T E -AB 12 39A 21 -16,-2.6 -16,-2.7 -2,-0.5 2,-0.4 -0.939 7.8-171.3-119.5 138.3 17.6 8.6 48.1 29 33 B K E - B 0 38A 74 9,-2.2 9,-2.9 -2,-0.4 2,-0.7 -0.971 21.8-134.6-125.9 137.3 16.7 11.6 50.1 30 34 B A E - B 0 37A 4 -20,-0.4 2,-0.9 -2,-0.4 7,-0.2 -0.884 21.2-159.7 -87.6 108.0 18.0 12.5 53.7 31 35 B N E >> - B 0 36A 39 5,-2.6 4,-1.4 -2,-0.7 5,-1.4 -0.847 7.8-171.2 -94.6 102.3 14.8 13.5 55.6 32 36 B L T 45S+ 0 0 24 -2,-0.9 -1,-0.2 3,-0.2 546,-0.1 0.894 82.2 51.6 -61.6 -41.1 16.1 15.6 58.5 33 37 B E T 45S+ 0 0 165 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.895 120.2 30.5 -75.2 -36.9 12.6 15.7 60.2 34 38 B S T 45S- 0 0 56 2,-0.2 -1,-0.2 543,-0.0 -2,-0.2 0.666 104.4-135.5 -85.8 -14.7 11.8 12.0 60.2 35 39 B N T <5 + 0 0 33 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.896 62.9 114.2 65.3 45.9 15.6 11.4 60.5 36 40 B K E < -B 31 0A 86 -5,-1.4 -5,-2.6 540,-0.1 2,-0.4 -0.969 69.9-116.2-143.0 149.1 15.6 8.7 57.9 37 41 B Y E -B 30 0A 74 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.748 31.5-150.4 -79.2 137.7 16.9 8.0 54.4 38 42 B E E -B 29 0A 74 -9,-2.9 -9,-2.2 -2,-0.4 2,-0.4 -0.951 9.7-161.4-110.4 136.3 14.1 7.6 52.0 39 43 B N E +B 28 0A 47 -2,-0.4 18,-1.3 -11,-0.2 17,-0.9 -0.969 10.8 178.2-122.9 132.4 14.7 5.3 48.9 40 44 B T E -BC 27 55A 21 -13,-2.3 -13,-3.5 -2,-0.4 2,-0.5 -0.998 23.6-139.0-133.0 124.8 12.6 5.3 45.7 41 45 B I E -BC 26 54A 0 13,-3.1 13,-2.5 -2,-0.4 2,-0.4 -0.740 21.5-162.2 -78.6 131.1 13.3 3.1 42.8 42 46 B V E -BC 25 53A 0 -17,-2.7 -17,-1.9 -2,-0.5 2,-0.5 -0.959 3.7-163.7-112.8 133.5 12.9 5.1 39.6 43 47 B I E -BC 24 52A 2 9,-2.9 9,-2.7 -2,-0.4 2,-0.4 -0.983 9.9-163.5-117.7 126.1 12.4 3.3 36.3 44 48 B E E -BC 23 51A 7 -21,-3.2 -21,-2.1 -2,-0.5 7,-0.2 -0.922 18.2-145.0-114.1 141.2 12.9 5.3 33.1 45 49 B N 0 0 41 5,-2.3 -1,-0.1 -2,-0.4 6,-0.1 0.966 360.0 360.0 -59.6 -65.1 11.9 4.6 29.5 46 50 B L 0 0 34 4,-0.1 4,-0.1 -24,-0.1 -25,-0.0 0.137 360.0 360.0 114.3 360.0 14.8 6.1 27.3 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 52 B D 0 0 135 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -56.6 10.8 8.8 26.2 49 53 B G + 0 0 49 1,-0.3 2,-0.1 280,-0.0 279,-0.0 0.474 360.0 154.6 65.6 4.7 12.1 10.1 29.6 50 54 B S - 0 0 55 -4,-0.1 -5,-2.3 -6,-0.0 2,-0.4 -0.387 28.8-154.6 -50.2 130.4 8.8 8.6 31.1 51 55 B R E +C 44 0A 97 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.951 17.0 179.8-116.8 140.4 9.4 7.8 34.8 52 56 B K E -C 43 0A 67 -9,-2.7 -9,-2.9 -2,-0.4 2,-0.3 -0.901 16.7-134.3-134.7 171.5 7.7 5.3 37.1 53 57 B F E -C 42 0A 122 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.910 22.5-167.6-136.6 139.8 8.3 4.5 40.7 54 58 B I E -C 41 0A 9 -13,-2.5 -13,-3.1 -2,-0.3 3,-0.4 -0.955 38.3-144.5-120.9 111.3 8.7 1.8 43.3 55 59 B E E +C 40 0A 98 -2,-0.5 -15,-0.2 -15,-0.2 3,-0.1 -0.428 68.0 9.9 -84.5 148.8 8.4 3.6 46.5 56 60 B D S S+ 0 0 99 -17,-0.9 2,-0.3 1,-0.2 -16,-0.2 0.951 105.5 108.6 54.1 56.7 10.3 2.8 49.7 57 61 B A + 0 0 2 -18,-1.3 2,-0.2 -3,-0.4 -1,-0.2 -0.990 40.5 178.1-158.3 158.0 12.6 0.3 48.0 58 62 B S E +D 72 0B 19 14,-2.6 14,-2.8 -2,-0.3 -17,-0.1 -0.772 52.1 68.4-150.0-172.5 16.0 -0.3 46.8 59 63 B M E - 0 0 22 -2,-0.2 -1,-0.1 12,-0.2 2,-0.1 0.906 62.6-162.6 57.7 51.3 18.2 -3.0 45.1 60 64 B P E - 0 0 0 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.425 11.3-179.1 -61.8 127.6 16.5 -2.8 41.7 61 65 B R E -D 70 0B 29 9,-2.7 9,-2.9 -2,-0.1 2,-0.4 -0.938 14.5-152.2-129.8 113.5 17.3 -5.9 39.7 62 66 B I E -D 69 0B 12 -2,-0.4 7,-0.2 7,-0.2 42,-0.2 -0.698 24.9-114.7 -87.2 134.8 15.8 -6.0 36.2 63 67 B S > - 0 0 0 5,-2.9 3,-3.0 -2,-0.4 43,-0.1 -0.285 25.6-113.0 -66.6 147.6 15.2 -9.6 35.0 64 68 B P T 3 S+ 0 0 42 0, 0.0 -44,-0.2 0, 0.0 -1,-0.1 0.847 118.5 54.8 -52.7 -29.3 17.3 -10.6 31.9 65 69 B D T 3 S- 0 0 62 1,-0.1 -2,-0.1 -46,-0.1 -46,-0.0 0.476 106.9-128.1 -86.8 2.7 14.1 -10.7 29.8 66 70 B G S < S+ 0 0 13 -3,-3.0 -1,-0.1 2,-0.2 -47,-0.1 0.502 81.3 109.1 68.2 7.4 13.2 -7.2 30.8 67 71 B K S S+ 0 0 96 18,-0.1 18,-2.4 17,-0.1 19,-0.5 0.731 78.5 19.2 -90.5 -22.0 9.7 -8.3 31.9 68 72 B K E - E 0 84B 43 16,-0.3 -5,-2.9 17,-0.1 2,-0.4 -0.908 57.4-141.6-146.9 173.4 10.2 -7.8 35.6 69 73 B I E -DE 62 83B 0 14,-2.5 14,-3.1 -2,-0.3 2,-0.3 -0.999 9.5-156.3-140.6 125.9 12.1 -6.2 38.5 70 74 B A E +DE 61 82B 0 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.3 -0.756 25.1 164.0 -93.5 155.0 13.1 -7.7 41.9 71 75 B F E - E 0 81B 1 10,-2.0 10,-2.9 -2,-0.3 2,-0.4 -0.971 31.3-115.0-162.0 168.5 13.8 -5.3 44.7 72 76 B M E -DE 58 80B 0 -14,-2.8 -14,-2.6 -2,-0.3 2,-0.4 -0.881 12.4-165.3-113.9 138.7 14.1 -5.1 48.4 73 77 B R E - E 0 79B 57 6,-2.0 6,-2.4 -2,-0.4 2,-0.2 -0.992 19.8-158.0-117.3 135.8 12.0 -3.3 51.0 74 78 B F 0 0 113 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.630 360.0 360.0-119.6 166.1 13.7 -3.0 54.4 75 79 B N 0 0 172 -2,-0.2 -2,-0.0 0, 0.0 3,-0.0 -0.923 360.0 360.0-168.6 360.0 12.2 -2.4 57.9 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 84 B T 0 0 77 0, 0.0 2,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 150.6 13.2 -7.3 58.3 78 85 B A - 0 0 6 18,-0.3 18,-1.8 -4,-0.2 2,-0.4 -0.471 360.0-161.8 -82.4 150.7 13.9 -7.1 54.6 79 86 B Q E -EF 73 95B 39 -6,-2.4 -6,-2.0 16,-0.3 2,-0.5 -0.998 14.0-134.5-137.7 138.9 11.6 -8.6 52.0 80 87 B I E -EF 72 94B 0 14,-3.5 13,-3.3 -2,-0.4 14,-1.7 -0.865 27.4-175.3 -92.3 129.9 12.3 -9.5 48.4 81 88 B W E -EF 71 92B 53 -10,-2.9 -10,-2.0 -2,-0.5 2,-0.4 -0.826 14.7-154.2-119.7 153.9 9.5 -8.4 46.0 82 89 B V E -EF 70 91B 12 9,-2.3 9,-2.7 -2,-0.3 2,-0.3 -1.000 15.0-172.4-126.9 134.4 9.1 -9.0 42.3 83 90 B A E -EF 69 90B 1 -14,-3.1 -14,-2.5 -2,-0.4 2,-0.4 -0.930 29.8-114.9-125.1 147.5 7.0 -6.6 40.2 84 91 B D E > -E 68 0B 63 5,-2.0 4,-2.2 -2,-0.3 -16,-0.3 -0.696 24.6-142.9 -68.1 130.3 5.9 -6.7 36.5 85 92 B L T 4 S+ 0 0 6 -18,-2.4 -17,-0.1 -2,-0.4 -1,-0.1 0.828 94.5 61.5 -71.7 -26.3 7.7 -3.9 34.8 86 93 B K T 4 S+ 0 0 75 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.950 129.2 4.6 -63.8 -49.1 4.6 -3.1 32.6 87 94 B T T 4 S- 0 0 100 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.494 89.0-131.5-112.7 -10.5 2.2 -2.2 35.5 88 95 B L < + 0 0 32 -4,-2.2 -3,-0.1 1,-0.2 2,-0.1 0.673 49.1 157.6 60.3 20.8 4.6 -2.4 38.4 89 96 B S - 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