==== 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 08-MAY-01 1ILW . COMPND 2 MOLECULE: 180 AA LONG HYPOTHETICAL . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR X.DU,S.-H.KIM,BERKELEY STRUCTURAL GENOMICS CENTER (BSGC) . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 73.2 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 . 16 8.9 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 . 38 21.2 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 1 1 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 67 0, 0.0 43,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 173.6 -7.3 37.1 -2.3 2 3 A E + 0 0 95 117,-0.2 118,-3.7 118,-0.1 119,-2.8 0.644 360.0 46.4 -84.5 -26.7 -9.2 38.1 -5.5 3 4 A E E -a 121 0A 36 116,-0.2 42,-1.9 117,-0.2 2,-0.4 -0.912 60.8-168.8-123.2 152.7 -7.0 36.2 -7.9 4 5 A A E -ab 122 45A 0 117,-2.1 119,-2.8 -2,-0.3 2,-0.5 -0.998 14.9-144.1-135.9 138.3 -5.6 32.7 -8.0 5 6 A L E -ab 123 46A 0 40,-2.5 42,-3.2 -2,-0.4 2,-0.6 -0.872 17.0-160.6 -96.5 129.6 -2.9 31.1 -10.2 6 7 A I E -ab 124 47A 0 117,-3.5 119,-2.0 -2,-0.5 2,-0.7 -0.949 1.9-160.9-116.0 115.8 -3.7 27.4 -11.0 7 8 A V E -ab 125 48A 1 40,-3.6 42,-2.7 -2,-0.6 2,-0.7 -0.855 16.4-143.8 -97.8 113.2 -0.8 25.3 -12.2 8 9 A V E -ab 126 49A 0 117,-2.9 119,-2.4 -2,-0.7 42,-0.1 -0.719 57.0 -43.5 -93.8 114.7 -2.1 22.3 -14.0 9 10 A D + 0 0 1 40,-0.9 2,-2.2 -2,-0.7 -1,-0.2 0.723 63.2 172.9 48.0 44.7 -0.3 19.0 -13.6 10 11 A M + 0 0 0 39,-0.4 71,-2.6 -3,-0.2 72,-0.6 -0.499 30.7 146.5 -79.3 76.5 3.3 20.2 -14.0 11 12 A Q B > -F 80 0B 0 -2,-2.2 3,-1.4 69,-0.3 4,-0.4 -0.759 62.3-110.1-118.2 157.7 4.7 16.7 -13.1 12 13 A R G > S+ 0 0 117 67,-2.6 3,-1.7 64,-0.3 66,-0.2 0.898 113.1 56.2 -53.1 -48.1 7.7 14.6 -14.1 13 14 A D G 3 S+ 0 0 22 64,-2.5 7,-2.7 1,-0.3 -1,-0.3 0.757 105.2 53.1 -65.5 -18.1 5.7 12.0 -16.0 14 15 A F G < S+ 0 0 22 -3,-1.4 8,-2.5 63,-0.3 -1,-0.3 0.446 98.0 80.0 -93.4 0.5 4.2 14.7 -18.3 15 16 A M S X S- 0 0 9 -3,-1.7 3,-2.2 -4,-0.4 5,-0.2 -0.715 102.4 -72.9 -99.3 159.7 7.6 16.1 -19.2 16 17 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.140 125.5 31.8 -44.9 137.4 10.1 14.8 -21.8 17 18 A G T 3 S+ 0 0 89 1,-0.3 2,-0.1 -4,-0.1 -4,-0.1 0.323 101.8 109.9 89.5 -9.4 11.7 11.6 -20.4 18 19 A G S < S- 0 0 21 -3,-2.2 -1,-0.3 -6,-0.1 -5,-0.2 -0.331 84.9 -99.4 -93.4 179.2 8.5 10.8 -18.4 19 20 A A S S+ 0 0 45 1,-0.3 -5,-0.1 -3,-0.1 -6,-0.1 0.783 119.3 20.6 -69.3 -26.5 5.9 8.0 -18.8 20 21 A L S S- 0 0 33 -7,-2.7 -1,-0.3 -5,-0.2 2,-0.0 -0.578 91.6-167.5-140.7 67.9 3.4 10.2 -20.7 21 22 A P - 0 0 63 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.278 19.5-140.4 -75.3 142.7 5.4 13.1 -22.0 22 23 A V > - 0 0 3 -8,-2.5 3,-2.7 -2,-0.0 4,-0.3 -0.894 42.1-100.6 -93.1 123.1 4.1 16.3 -23.5 23 24 A P T 3 S- 0 0 63 0, 0.0 133,-0.1 0, 0.0 -1,-0.0 -0.232 101.2 -13.2 -48.4 119.2 6.3 17.3 -26.5 24 25 A E T > S+ 0 0 113 1,-0.1 3,-2.0 2,-0.1 4,-0.3 0.734 88.6 150.2 58.6 24.9 8.7 20.0 -25.3 25 26 A G G X + 0 0 0 -3,-2.7 3,-0.9 1,-0.3 4,-0.2 0.743 63.5 65.1 -59.6 -21.4 6.7 20.4 -22.1 26 27 A D G > S+ 0 0 74 -4,-0.3 3,-1.0 1,-0.2 -1,-0.3 0.701 84.5 73.8 -76.2 -17.1 9.8 21.3 -20.3 27 28 A K G < S+ 0 0 131 -3,-2.0 4,-0.3 1,-0.3 -1,-0.2 0.688 94.7 51.1 -72.6 -19.3 10.2 24.5 -22.3 28 29 A I G <> S+ 0 0 8 -3,-0.9 4,-2.8 -4,-0.3 -1,-0.3 0.498 84.9 90.0 -92.9 -7.7 7.3 26.2 -20.5 29 30 A I H <> S+ 0 0 31 -3,-1.0 4,-2.9 -4,-0.2 5,-0.2 0.902 84.3 51.3 -59.9 -43.9 8.7 25.5 -17.0 30 31 A P H > S+ 0 0 83 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.953 114.8 42.8 -55.3 -49.2 10.8 28.7 -16.7 31 32 A K H > S+ 0 0 54 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.918 112.8 53.5 -65.7 -38.8 7.8 30.9 -17.7 32 33 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.960 111.2 45.9 -58.4 -46.8 5.5 28.8 -15.4 33 34 A N H X S+ 0 0 16 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.871 110.2 54.9 -62.9 -34.3 7.9 29.4 -12.5 34 35 A E H X S+ 0 0 59 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.916 107.7 48.2 -68.1 -42.7 8.1 33.1 -13.4 35 36 A Y H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.928 111.1 51.7 -62.5 -40.1 4.3 33.4 -13.2 36 37 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.972 112.1 45.4 -59.1 -49.0 4.3 31.6 -9.9 37 38 A R H X S+ 0 0 126 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.944 115.3 48.5 -56.8 -48.3 7.0 34.0 -8.6 38 39 A K H X S+ 0 0 56 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.943 114.4 43.3 -57.9 -55.3 5.1 37.0 -10.0 39 40 A F H <>S+ 0 0 0 -4,-3.3 5,-2.4 1,-0.2 -1,-0.2 0.850 112.2 55.3 -61.8 -33.1 1.7 35.9 -8.6 40 41 A K H ><5S+ 0 0 114 -4,-2.7 3,-1.1 -5,-0.3 -1,-0.2 0.880 106.3 50.4 -70.2 -34.1 3.4 35.1 -5.3 41 42 A E H 3<5S+ 0 0 155 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 105.9 56.2 -67.6 -37.1 4.8 38.5 -5.0 42 43 A K T 3<5S- 0 0 107 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.334 118.4-112.6 -74.4 3.3 1.4 40.1 -5.7 43 44 A G T < 5 + 0 0 53 -3,-1.1 -3,-0.2 1,-0.2 2,-0.1 0.753 65.5 152.0 70.3 24.8 0.0 38.2 -2.7 44 45 A A < - 0 0 9 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.454 52.3 -99.7 -86.3 157.6 -2.2 35.9 -4.9 45 46 A L E -b 4 0A 21 -42,-1.9 -40,-2.5 -2,-0.1 2,-0.5 -0.633 34.3-149.9 -77.0 134.4 -3.3 32.4 -4.0 46 47 A I E -b 5 0A 5 -2,-0.3 43,-3.0 41,-0.3 2,-0.4 -0.933 14.5-175.7-108.5 125.8 -1.2 29.7 -5.8 47 48 A V E -bc 6 89A 0 -42,-3.2 -40,-3.6 -2,-0.5 2,-0.5 -0.980 5.7-170.5-120.9 133.4 -2.8 26.4 -6.6 48 49 A A E -bc 7 90A 0 41,-2.7 43,-2.8 -2,-0.4 2,-0.3 -0.987 9.0-157.3-124.0 119.4 -1.0 23.4 -8.1 49 50 A T E -bc 8 91A 0 -42,-2.7 -40,-0.9 -2,-0.5 -39,-0.4 -0.692 12.1-175.4 -94.0 150.3 -3.0 20.4 -9.3 50 51 A R E - c 0 92A 57 41,-2.8 43,-2.9 -2,-0.3 2,-0.4 -0.997 32.1-120.8-142.9 140.3 -1.5 16.9 -9.7 51 52 A D E - c 0 93A 11 -2,-0.3 2,-0.3 41,-0.2 43,-0.2 -0.661 32.9-175.3 -66.9 128.9 -2.7 13.5 -10.9 52 53 A W - 0 0 47 41,-2.7 20,-0.2 -2,-0.4 19,-0.1 -0.627 13.4-178.8-133.3 74.9 -2.2 11.4 -7.8 53 54 A H B -g 72 0C 5 18,-2.2 20,-3.2 -2,-0.3 42,-0.2 -0.461 24.2-137.5 -86.7 142.1 -3.0 7.9 -9.0 54 55 A P > - 0 0 18 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.446 48.0 -81.0 -78.8 167.4 -3.1 4.5 -7.2 55 56 A E T 3 S+ 0 0 98 1,-0.2 5,-0.0 -2,-0.1 18,-0.0 -0.332 117.8 24.0 -62.1 151.7 -1.6 1.5 -8.9 56 57 A N T 3 S- 0 0 69 1,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.913 85.0-179.2 56.4 41.7 -4.0 -0.0 -11.5 57 58 A H X - 0 0 2 -3,-0.6 3,-1.8 1,-0.1 6,-0.3 -0.417 39.6-111.5 -69.2 153.0 -6.0 3.2 -12.0 58 59 A I T 3 S+ 0 0 30 39,-1.7 -1,-0.1 1,-0.3 40,-0.1 0.716 115.6 59.5 -62.0 -21.9 -8.9 3.0 -14.5 59 60 A S T 3 S+ 0 0 11 6,-0.2 8,-2.5 38,-0.1 -1,-0.3 0.606 88.4 99.6 -81.5 -8.0 -7.1 5.2 -17.0 60 61 A F B X >S-h 67 0D 0 -3,-1.8 5,-3.1 6,-0.2 3,-1.6 -0.409 81.4-122.2 -83.9 156.1 -4.2 2.8 -17.2 61 62 A R G > 5S+ 0 0 167 6,-1.5 3,-4.0 1,-0.3 -1,-0.1 0.912 107.6 69.2 -59.9 -42.9 -3.6 0.2 -20.0 62 63 A E G 3 5S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.2 -4,-0.1 0.672 107.5 38.8 -55.5 -18.9 -3.6 -2.6 -17.5 63 64 A R G < 5S- 0 0 103 -3,-1.6 -1,-0.3 -6,-0.3 -2,-0.2 0.098 130.6 -95.9-114.0 20.2 -7.3 -2.0 -16.9 64 65 A G T < 5S+ 0 0 70 -3,-4.0 -3,-0.3 1,-0.2 -2,-0.2 0.548 79.7 140.8 82.2 12.2 -7.9 -1.3 -20.6 65 66 A G < - 0 0 16 -5,-3.1 -1,-0.2 -8,-0.2 -6,-0.2 -0.282 62.9-109.8 -82.0 174.1 -7.6 2.5 -20.4 66 67 A P S S+ 0 0 83 0, 0.0 -6,-0.2 0, 0.0 -5,-0.1 0.676 90.3 70.5 -80.9 -19.3 -5.8 4.7 -22.9 67 68 A W B S-h 60 0D 47 -8,-2.5 -6,-1.5 3,-0.0 -2,-0.2 -0.739 75.6-124.0-106.7 146.8 -2.8 5.7 -20.9 68 69 A P - 0 0 33 0, 0.0 -1,-0.0 0, 0.0 -9,-0.0 -0.433 59.3 -67.6 -73.2 161.7 0.3 3.8 -19.6 69 70 A R S S+ 0 0 109 -2,-0.1 2,-0.3 -9,-0.0 -14,-0.1 -0.255 74.8 157.2 -50.7 129.2 0.9 3.9 -15.9 70 71 A H + 0 0 5 -3,-0.1 -17,-0.2 1,-0.1 8,-0.1 -0.986 44.2 14.5-159.9 148.7 1.8 7.4 -14.9 71 72 A C S S- 0 0 0 -2,-0.3 -18,-2.2 1,-0.2 2,-0.3 0.911 73.2-178.1 52.4 48.0 1.9 9.8 -12.0 72 73 A V B > -g 53 0C 4 -20,-0.2 3,-1.8 1,-0.1 6,-0.4 -0.609 37.0 -87.9 -79.3 139.4 1.4 7.1 -9.4 73 74 A Q T 3 S+ 0 0 52 -20,-3.2 -1,-0.1 -2,-0.3 4,-0.1 -0.063 109.5 5.8 -41.8 131.4 1.2 8.1 -5.7 74 75 A N T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.1 -22,-0.0 0.705 104.0 117.2 63.3 22.2 4.6 8.3 -4.0 75 76 A T S X> S- 0 0 32 -3,-1.8 3,-2.3 1,-0.1 4,-0.5 -0.883 77.9-112.0-118.1 153.7 6.6 7.7 -7.2 76 77 A P G >4 S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 -64,-0.3 0.814 113.5 65.2 -47.2 -36.0 9.1 10.0 -9.0 77 78 A G G 34 S+ 0 0 6 1,-0.3 -64,-2.5 -65,-0.2 -63,-0.3 0.751 98.6 51.9 -64.2 -23.0 6.7 10.3 -11.9 78 79 A A G <4 S+ 0 0 1 -3,-2.3 -1,-0.3 -6,-0.4 -5,-0.1 0.585 85.2 116.9 -91.7 -5.2 4.2 12.2 -9.7 79 80 A E S << S- 0 0 90 -3,-1.2 -67,-2.6 -4,-0.5 -66,-0.2 -0.265 71.0-111.4 -62.4 140.8 6.7 14.7 -8.5 80 81 A F B -F 11 0B 53 -69,-0.2 -69,-0.3 1,-0.1 -1,-0.1 -0.379 18.5-162.3 -65.8 149.5 6.3 18.4 -9.4 81 82 A V + 0 0 39 -71,-2.6 2,-0.2 -2,-0.1 -70,-0.1 0.365 67.5 80.5-114.0 4.3 8.7 19.9 -11.8 82 83 A V S S- 0 0 11 -72,-0.6 2,-0.7 -50,-0.1 -2,-0.1 -0.647 85.5-111.3-105.2 163.4 7.9 23.5 -10.9 83 84 A D - 0 0 121 -2,-0.2 -46,-0.1 0, 0.0 -2,-0.0 -0.860 40.6-172.3 -97.6 109.8 9.1 25.6 -7.9 84 85 A L - 0 0 45 -2,-0.7 -51,-0.0 1,-0.0 -47,-0.0 -0.821 22.9-115.9-106.3 142.8 6.1 26.1 -5.6 85 86 A P > - 0 0 24 0, 0.0 3,-1.8 0, 0.0 -1,-0.0 -0.314 31.1-110.2 -64.9 156.7 5.9 28.4 -2.6 86 87 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.881 118.1 54.5 -52.5 -42.2 5.3 26.8 0.8 87 88 A D T 3 S+ 0 0 124 2,-0.1 -1,-0.3 -42,-0.0 -41,-0.3 0.359 78.5 126.3 -82.4 9.5 1.8 28.3 1.0 88 89 A A < - 0 0 14 -3,-1.8 2,-0.6 -43,-0.1 -41,-0.2 -0.424 63.0-124.8 -59.0 139.4 0.8 26.8 -2.4 89 90 A V E -c 47 0A 39 -43,-3.0 -41,-2.7 -2,-0.1 2,-0.6 -0.750 22.7-146.3 -84.3 127.3 -2.5 24.8 -2.2 90 91 A I E -c 48 0A 69 -2,-0.6 2,-0.6 -43,-0.2 -41,-0.2 -0.791 10.2-164.5 -93.9 124.6 -2.0 21.3 -3.5 91 92 A I E -c 49 0A 11 -43,-2.8 -41,-2.8 -2,-0.6 2,-0.5 -0.910 2.8-165.4-107.9 115.4 -4.9 19.6 -5.3 92 93 A S E -c 50 0A 39 -2,-0.6 2,-0.3 -43,-0.2 3,-0.2 -0.836 13.6-173.6 -95.0 124.1 -4.6 15.8 -5.8 93 94 A K E +c 51 0A 0 -43,-2.9 -41,-2.7 -2,-0.5 8,-0.1 -0.816 55.0 23.0-120.1 164.2 -7.0 14.3 -8.3 94 95 A A + 0 0 1 12,-0.4 -1,-0.2 -2,-0.3 7,-0.1 0.901 69.4 149.6 60.3 44.0 -8.0 10.8 -9.5 95 96 A T + 0 0 48 -3,-0.2 -1,-0.1 -42,-0.2 -22,-0.1 0.672 46.8 74.2 -85.1 -19.9 -6.8 9.3 -6.3 96 97 A E S S- 0 0 115 3,-0.1 3,-0.5 1,-0.1 -38,-0.3 -0.609 90.0-113.2 -96.6 155.0 -9.2 6.4 -6.2 97 98 A P S S+ 0 0 67 0, 0.0 -39,-1.7 0, 0.0 -38,-0.1 0.827 114.1 26.7 -58.5 -35.5 -9.0 3.3 -8.4 98 99 A D S S+ 0 0 105 -41,-0.1 2,-0.7 -40,-0.1 -41,-0.0 0.464 93.1 109.3-109.1 2.0 -12.2 4.1 -10.4 99 100 A K - 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