==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAY-01 1IM5 . COMPND 2 MOLECULE: 180AA LONG HYPOTHETICAL . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR X.DU,S.-H.KIM . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0.0 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 . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.9 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 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 61 0, 0.0 43,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 158.4 -6.7 37.4 -2.7 2 3 A E + 0 0 93 117,-0.2 118,-2.9 118,-0.1 119,-2.3 0.720 360.0 48.6 -82.6 -22.0 -8.9 38.3 -5.6 3 4 A E E -a 121 0A 33 116,-0.2 42,-1.8 117,-0.2 2,-0.4 -0.861 64.2-170.1-118.4 155.2 -6.7 36.4 -8.1 4 5 A A E -ab 122 45A 0 117,-2.0 119,-2.5 -2,-0.3 2,-0.5 -0.981 17.1-139.0-133.4 150.0 -5.2 32.9 -8.0 5 6 A L E -ab 123 46A 0 40,-2.5 42,-3.0 -2,-0.4 2,-0.6 -0.960 16.1-161.8-105.6 127.4 -2.6 31.1 -10.2 6 7 A I E -ab 124 47A 0 117,-3.6 119,-2.3 -2,-0.5 2,-0.7 -0.966 1.2-164.3-113.4 114.7 -3.5 27.5 -11.0 7 8 A V E -ab 125 48A 1 40,-3.3 42,-2.3 -2,-0.6 2,-0.6 -0.900 15.8-145.7-100.2 111.4 -0.5 25.4 -12.2 8 9 A V E -ab 126 49A 0 117,-3.0 119,-2.3 -2,-0.7 42,-0.1 -0.751 55.8 -37.7 -97.4 119.3 -1.8 22.3 -13.9 9 10 A D + 0 0 1 40,-1.1 2,-2.2 -2,-0.6 -1,-0.2 0.722 64.6 168.6 49.1 43.8 0.1 18.9 -13.7 10 11 A M + 0 0 0 39,-0.5 71,-2.5 -3,-0.2 72,-0.6 -0.517 31.5 141.4 -82.5 73.7 3.7 20.2 -13.9 11 12 A Q B > -F 80 0B 0 -2,-2.2 3,-1.7 69,-0.3 4,-0.3 -0.844 65.8-107.7-121.7 156.6 5.0 16.8 -12.9 12 13 A R G > S+ 0 0 97 67,-2.5 3,-1.7 64,-0.3 66,-0.2 0.830 113.4 56.7 -53.6 -41.9 8.0 14.7 -14.0 13 14 A D G 3 S+ 0 0 19 64,-2.6 7,-2.7 1,-0.3 -1,-0.3 0.723 106.0 51.6 -69.5 -17.8 6.0 12.1 -16.0 14 15 A F G < S+ 0 0 20 -3,-1.7 8,-2.4 63,-0.3 -1,-0.3 0.401 98.0 82.1 -95.4 4.0 4.5 14.8 -18.2 15 16 A M S X S- 0 0 10 -3,-1.7 3,-2.3 -4,-0.3 5,-0.2 -0.687 101.9 -72.8 -98.6 155.2 7.9 16.3 -19.0 16 17 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.191 124.2 28.5 -47.8 139.2 10.3 14.9 -21.7 17 18 A G T 3 S+ 0 0 89 1,-0.3 2,-0.1 -4,-0.1 -4,-0.1 0.254 101.4 112.1 81.9 -3.5 11.9 11.7 -20.6 18 19 A G S < S- 0 0 19 -3,-2.3 -1,-0.3 -6,-0.1 -5,-0.2 -0.265 86.1 -96.7 -88.5-178.8 8.8 10.9 -18.4 19 20 A A S S+ 0 0 45 1,-0.3 -5,-0.1 -3,-0.1 -6,-0.1 0.799 120.5 20.8 -71.9 -23.9 6.3 8.2 -18.8 20 21 A L S S- 0 0 35 -7,-2.7 -1,-0.3 -5,-0.2 2,-0.1 -0.512 90.6-169.0-140.0 63.9 3.7 10.4 -20.6 21 22 A P - 0 0 60 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.334 20.3-142.6 -73.8 135.8 5.8 13.3 -21.9 22 23 A V > - 0 0 2 -8,-2.4 3,-2.5 -2,-0.1 4,-0.3 -0.839 42.6-103.3 -84.8 122.5 4.4 16.6 -23.4 23 24 A P T 3 S- 0 0 65 0, 0.0 133,-0.1 0, 0.0 -1,-0.0 -0.248 99.4 -7.6 -53.8 125.8 6.8 17.5 -26.3 24 25 A E T > S+ 0 0 108 1,-0.1 3,-1.2 2,-0.1 4,-0.4 0.805 89.5 145.3 56.9 28.1 9.1 20.3 -25.2 25 26 A G G X + 0 0 0 -3,-2.5 3,-1.1 1,-0.3 4,-0.2 0.837 62.7 63.6 -67.9 -22.7 7.1 20.6 -22.0 26 27 A D G > S+ 0 0 82 -4,-0.3 3,-1.2 1,-0.2 -1,-0.3 0.673 86.3 75.8 -72.3 -16.8 10.3 21.4 -20.1 27 28 A K G < S+ 0 0 128 -3,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.748 93.6 49.5 -68.6 -22.8 10.6 24.6 -22.2 28 29 A I G <> S+ 0 0 11 -3,-1.1 4,-2.9 -4,-0.4 5,-0.3 0.524 84.1 92.1 -95.6 -0.6 7.8 26.3 -20.3 29 30 A I H <> S+ 0 0 30 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.916 84.1 50.9 -62.9 -46.4 9.2 25.6 -16.8 30 31 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.932 114.9 44.7 -55.4 -44.0 11.2 28.8 -16.5 31 32 A K H > S+ 0 0 55 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.922 113.0 49.1 -69.1 -39.8 8.1 30.8 -17.5 32 33 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.940 112.8 49.2 -60.0 -41.9 5.7 28.9 -15.2 33 34 A N H X S+ 0 0 17 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.899 109.2 53.4 -65.4 -34.8 8.2 29.4 -12.4 34 35 A E H X S+ 0 0 59 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.894 108.3 48.3 -65.7 -46.3 8.3 33.1 -13.3 35 36 A Y H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.907 109.5 53.8 -60.8 -35.9 4.6 33.4 -13.0 36 37 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.975 110.7 45.8 -63.2 -47.3 4.6 31.6 -9.7 37 38 A R H X S+ 0 0 122 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.928 114.8 48.9 -58.9 -45.9 7.2 34.1 -8.4 38 39 A K H X S+ 0 0 45 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.911 112.7 44.9 -60.7 -47.7 5.2 37.0 -9.8 39 40 A F H <>S+ 0 0 1 -4,-3.2 5,-2.8 1,-0.2 4,-0.4 0.873 110.1 56.4 -68.0 -32.6 1.9 35.9 -8.3 40 41 A K H ><5S+ 0 0 102 -4,-2.4 3,-0.8 -5,-0.3 -1,-0.2 0.901 109.3 47.1 -62.0 -39.8 3.6 35.2 -5.0 41 42 A E H 3<5S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.741 107.7 54.2 -69.5 -30.9 4.8 38.8 -5.0 42 43 A K T 3<5S- 0 0 103 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.464 117.1-116.2 -82.5 -2.7 1.3 40.1 -5.9 43 44 A G T < 5 + 0 0 49 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.2 0.788 62.4 155.2 67.6 37.9 0.1 38.2 -2.9 44 45 A A < - 0 0 10 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.581 51.2-101.0 -89.3 153.9 -2.1 35.9 -5.0 45 46 A L E -b 4 0A 18 -42,-1.8 -40,-2.5 -2,-0.2 2,-0.5 -0.628 35.7-150.6 -68.3 135.5 -3.2 32.4 -4.0 46 47 A I E -b 5 0A 5 41,-0.3 43,-3.2 -2,-0.3 2,-0.4 -0.956 14.8-176.4-112.2 128.3 -1.0 29.8 -5.7 47 48 A V E -bc 6 89A 0 -42,-3.0 -40,-3.3 -2,-0.5 2,-0.5 -0.974 8.0-167.3-122.4 133.0 -2.6 26.4 -6.5 48 49 A A E -bc 7 90A 0 41,-2.8 43,-2.7 -2,-0.4 2,-0.3 -0.990 8.6-157.7-121.2 124.6 -0.8 23.4 -8.0 49 50 A T E -bc 8 91A 0 -42,-2.3 -40,-1.1 -2,-0.5 -39,-0.5 -0.713 12.6-174.0 -94.7 147.4 -2.8 20.5 -9.3 50 51 A R E - c 0 92A 55 41,-2.3 43,-2.8 -2,-0.3 2,-0.3 -0.994 30.7-121.1-140.3 141.4 -1.3 17.1 -9.7 51 52 A D E - c 0 93A 7 -2,-0.3 2,-0.2 41,-0.2 43,-0.2 -0.642 33.5-178.0 -66.2 131.9 -2.4 13.7 -11.1 52 53 A W + 0 0 45 41,-2.5 20,-0.2 -2,-0.3 19,-0.1 -0.627 10.7 178.1-144.4 73.1 -2.1 11.5 -8.0 53 54 A H B -g 72 0C 0 18,-2.2 20,-3.1 17,-0.2 42,-0.2 -0.495 24.9-132.5 -87.2 142.4 -3.0 8.1 -9.3 54 55 A P > - 0 0 14 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.474 44.8 -84.6 -76.8 162.8 -3.0 4.8 -7.4 55 56 A E T 3 S+ 0 0 102 1,-0.2 5,-0.0 -2,-0.1 18,-0.0 -0.351 117.1 26.2 -54.9 148.1 -1.4 1.7 -9.0 56 57 A N T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.823 86.6 179.4 66.1 30.3 -3.8 -0.0 -11.4 57 58 A H X - 0 0 0 -3,-0.9 3,-2.2 1,-0.1 6,-0.3 -0.383 38.6-117.0 -65.2 148.1 -5.7 3.1 -12.1 58 59 A I T 3 S+ 0 0 62 39,-2.1 -1,-0.1 1,-0.3 40,-0.1 0.707 111.9 60.5 -60.3 -27.1 -8.6 2.8 -14.5 59 60 A S T 3 S+ 0 0 6 6,-0.2 8,-2.5 38,-0.1 -1,-0.3 0.564 88.9 97.2 -78.7 -4.7 -7.0 5.2 -17.0 60 61 A F B X >S-h 67 0D 0 -3,-2.2 5,-2.9 6,-0.2 3,-2.3 -0.542 83.1-119.8 -92.5 156.8 -3.9 3.0 -17.4 61 62 A R G > 5S+ 0 0 161 6,-2.2 3,-1.8 1,-0.3 -1,-0.1 0.753 110.1 68.7 -64.3 -23.2 -3.3 0.5 -20.1 62 63 A E G 3 5S+ 0 0 108 1,-0.3 -1,-0.3 5,-0.2 -4,-0.1 0.667 107.4 40.8 -70.1 -12.0 -3.1 -2.3 -17.6 63 64 A R G < 5S- 0 0 87 -3,-2.3 -1,-0.3 -6,-0.3 -2,-0.2 0.102 129.7 -94.7-115.4 19.5 -6.8 -1.7 -17.1 64 65 A G T < 5S+ 0 0 77 -3,-1.8 -3,-0.3 1,-0.2 -2,-0.1 0.614 82.7 142.4 77.3 15.8 -7.6 -1.2 -20.8 65 66 A G < - 0 0 13 -5,-2.9 -1,-0.2 -8,-0.2 -6,-0.2 -0.284 62.4-108.8 -85.5 172.8 -7.3 2.5 -20.3 66 67 A P S S+ 0 0 75 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 0.680 87.4 63.0 -76.1 -21.4 -5.7 5.0 -22.8 67 68 A W B S-h 60 0D 55 -8,-2.5 -6,-2.2 3,-0.0 -5,-0.2 -0.771 77.4-113.0-116.6 154.9 -2.5 5.9 -21.0 68 69 A P - 0 0 32 0, 0.0 -1,-0.0 0, 0.0 -49,-0.0 -0.431 63.2 -73.9 -66.8 155.1 0.8 4.3 -19.9 69 70 A R S S+ 0 0 97 -2,-0.1 2,-0.3 -9,-0.0 -14,-0.1 -0.277 72.4 161.1 -46.4 131.5 1.2 4.2 -16.1 70 71 A H + 0 0 3 -3,-0.1 -17,-0.2 1,-0.1 8,-0.1 -0.988 42.3 13.9-158.7 154.1 1.9 7.7 -14.9 71 72 A C S S- 0 0 0 -2,-0.3 -18,-2.2 1,-0.2 2,-0.2 0.815 71.4-177.1 50.0 47.0 2.0 10.0 -11.9 72 73 A V B > -g 53 0C 4 -20,-0.2 3,-1.9 1,-0.1 6,-0.5 -0.523 36.5 -89.5 -78.5 137.6 1.6 7.2 -9.3 73 74 A Q T 3 S+ 0 0 55 -20,-3.1 -1,-0.1 1,-0.3 -18,-0.1 -0.131 107.4 4.6 -46.8 129.2 1.3 8.2 -5.7 74 75 A N T 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.682 103.7 116.6 69.0 23.6 4.6 8.5 -3.9 75 76 A T S X S- 0 0 30 -3,-1.9 3,-1.2 1,-0.0 4,-0.4 -0.798 77.4-111.8-115.7 160.2 6.7 7.8 -7.0 76 77 A P G > S+ 0 0 77 0, 0.0 3,-1.3 0, 0.0 -64,-0.3 0.816 112.9 64.7 -60.1 -32.8 9.3 10.0 -8.8 77 78 A G G 3 S+ 0 0 7 1,-0.3 -64,-2.6 -65,-0.2 -63,-0.3 0.775 100.2 52.6 -60.8 -27.3 7.0 10.4 -11.8 78 79 A A G < S+ 0 0 1 -3,-1.2 -1,-0.3 -6,-0.5 -5,-0.1 0.570 85.1 113.9 -86.3 -9.8 4.4 12.2 -9.7 79 80 A E S < S- 0 0 96 -3,-1.3 -67,-2.5 -4,-0.4 -66,-0.2 -0.263 73.1-106.2 -60.8 145.9 6.9 14.8 -8.4 80 81 A F B -F 11 0B 48 -69,-0.2 -69,-0.3 1,-0.1 -1,-0.1 -0.430 19.2-162.2 -66.8 146.9 6.5 18.5 -9.3 81 82 A V + 0 0 38 -71,-2.5 2,-0.2 -2,-0.1 -70,-0.2 0.368 68.2 79.6-110.0 0.2 9.0 20.0 -11.7 82 83 A V S S- 0 0 11 -72,-0.6 2,-0.7 -50,-0.1 -2,-0.1 -0.646 86.2-108.9-104.3 161.5 8.2 23.6 -10.8 83 84 A D - 0 0 119 -2,-0.2 -2,-0.0 0, 0.0 -46,-0.0 -0.832 40.9-173.6 -92.4 105.5 9.4 25.7 -7.8 84 85 A L - 0 0 47 -2,-0.7 2,-0.0 4,-0.0 -51,-0.0 -0.851 21.1-121.9-107.4 138.4 6.4 26.2 -5.4 85 86 A P > - 0 0 29 0, 0.0 3,-2.0 0, 0.0 -39,-0.0 -0.341 31.5-106.2 -71.7 157.1 6.2 28.4 -2.3 86 87 A E T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.780 119.5 55.5 -47.6 -37.6 5.4 26.9 1.1 87 88 A D T 3 S+ 0 0 118 2,-0.1 -41,-0.3 -40,-0.0 -1,-0.3 0.264 77.3 124.9 -90.7 13.6 2.0 28.5 1.0 88 89 A A < - 0 0 17 -3,-2.0 2,-0.6 -43,-0.1 -41,-0.2 -0.491 62.9-126.9 -62.4 137.5 1.0 26.9 -2.4 89 90 A V E -c 47 0A 35 -43,-3.2 -41,-2.8 -2,-0.1 2,-0.6 -0.832 21.5-148.4 -88.9 123.4 -2.3 24.9 -2.2 90 91 A I E -c 48 0A 67 -2,-0.6 2,-0.6 -43,-0.2 -41,-0.2 -0.837 10.0-166.1 -99.9 120.2 -1.7 21.3 -3.5 91 92 A I E -c 49 0A 11 -43,-2.7 -41,-2.3 -2,-0.6 2,-0.5 -0.930 3.9-161.3-106.6 114.6 -4.7 19.7 -5.2 92 93 A S E -c 50 0A 39 -2,-0.6 2,-0.3 -43,-0.2 3,-0.2 -0.862 15.1-171.1 -98.4 124.9 -4.4 15.9 -5.7 93 94 A K E +c 51 0A 2 -43,-2.8 -41,-2.5 -2,-0.5 8,-0.1 -0.781 53.1 19.9-119.4 161.8 -6.7 14.5 -8.3 94 95 A A + 0 0 11 12,-0.4 -1,-0.2 -2,-0.3 7,-0.1 0.907 68.0 147.8 57.9 46.3 -7.8 11.0 -9.6 95 96 A T + 0 0 58 -3,-0.2 -1,-0.1 -42,-0.2 5,-0.1 0.573 42.9 86.0 -87.2 -11.0 -6.6 9.2 -6.5 96 97 A E S > S- 0 0 98 3,-0.4 3,-1.2 1,-0.1 -38,-0.3 -0.712 81.2-127.5 -94.7 140.4 -9.3 6.5 -6.5 97 98 A P T 3 S+ 0 0 64 0, 0.0 -39,-2.1 0, 0.0 -38,-0.1 0.807 104.5 37.0 -60.0 -26.0 -8.6 3.4 -8.6 98 99 A D T 3 S+ 0 0 108 -41,-0.2 2,-0.5 -40,-0.1 -41,-0.1 0.308 103.6 76.7-114.5 10.9 -11.9 3.5 -10.6 99 100 A K < - 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