==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-09 3KT9 . COMPND 2 MOLECULE: APRATAXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.L.CHERRY,S.J.SMERDON . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.9 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 . 2 2.0 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 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 249 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.7 12.9 20.1 1.3 2 2 A M - 0 0 96 1,-0.1 50,-0.1 100,-0.1 2,-0.1 -0.441 360.0-104.7 -69.6 142.4 11.8 17.0 3.2 3 3 A R - 0 0 96 48,-0.3 2,-0.3 -2,-0.1 99,-0.2 -0.354 31.0-117.6 -67.3 147.0 14.4 15.6 5.7 4 4 A V E -A 101 0A 32 97,-3.7 97,-2.4 -2,-0.1 2,-0.6 -0.691 21.6-139.0 -84.2 136.3 16.3 12.4 4.8 5 5 A C E -A 100 0A 1 14,-0.5 14,-3.0 -2,-0.3 2,-0.5 -0.884 19.5-169.6 -98.8 123.2 15.8 9.4 7.0 6 6 A W E -AB 99 18A 35 93,-3.0 93,-2.3 -2,-0.6 2,-0.7 -0.951 16.8-152.7-113.1 127.3 19.0 7.4 7.8 7 7 A L E -AB 98 17A 0 10,-3.1 10,-2.4 -2,-0.5 2,-0.5 -0.901 27.6-164.9 -90.9 115.2 19.0 4.0 9.6 8 8 A V E -AB 97 16A 0 89,-3.0 89,-2.4 -2,-0.7 2,-0.8 -0.882 26.7-126.3-110.9 129.3 22.5 4.0 11.2 9 9 A R E > -A 96 0A 31 6,-2.6 3,-1.7 -2,-0.5 6,-0.3 -0.661 28.9-150.2 -66.5 109.0 24.3 1.0 12.6 10 10 A Q T 3 S+ 0 0 92 85,-1.9 3,-0.4 -2,-0.8 -1,-0.2 0.845 90.5 42.6 -58.3 -40.0 24.9 2.6 16.0 11 11 A D T 3 S+ 0 0 106 84,-0.6 -1,-0.3 1,-0.3 85,-0.1 0.320 127.2 32.2 -93.5 7.7 28.2 0.8 16.8 12 12 A S S X S- 0 0 59 -3,-1.7 3,-2.4 3,-0.2 -3,-0.4 -0.460 76.3-177.4-154.7 73.7 29.5 1.2 13.3 13 13 A R T 3 S+ 0 0 117 -3,-0.4 -3,-0.1 1,-0.3 -2,-0.1 0.461 71.4 70.8 -71.1 -2.3 28.0 4.6 12.3 14 14 A H T 3 S+ 0 0 176 1,-0.1 2,-1.1 -6,-0.1 -1,-0.3 0.642 78.8 87.9 -81.1 -16.4 29.4 4.7 8.7 15 15 A Q < + 0 0 26 -3,-2.4 -6,-2.6 -6,-0.3 2,-0.4 -0.760 63.7 163.0 -81.3 99.9 27.0 1.9 7.9 16 16 A R E -B 8 0A 92 -2,-1.1 2,-0.4 -8,-0.2 -8,-0.2 -0.968 24.9-161.6-125.9 138.5 24.0 4.0 6.9 17 17 A I E -B 7 0A 27 -10,-2.4 -10,-3.1 -2,-0.4 2,-0.4 -0.984 20.2-128.4-122.5 127.2 20.8 3.0 5.0 18 18 A R E -B 6 0A 154 -2,-0.4 -12,-0.2 -12,-0.2 -14,-0.0 -0.609 18.5-158.8 -71.2 125.9 18.4 5.6 3.3 19 19 A L - 0 0 5 -14,-3.0 -14,-0.5 -2,-0.4 3,-0.1 -0.915 15.9-136.4-109.6 105.6 14.8 5.0 4.3 20 20 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 29,-0.6 -0.346 34.3 -89.0 -64.3 138.5 12.4 6.6 1.8 21 21 A H B 3 S-f 49 0B 53 1,-0.3 29,-0.2 27,-0.1 3,-0.1 -0.217 103.2 -13.8 -49.8 119.6 9.5 8.5 3.1 22 22 A L T 3 S+ 0 0 104 27,-3.5 2,-0.4 1,-0.2 -1,-0.3 0.619 105.2 121.8 60.5 19.6 6.5 6.2 3.7 23 23 A E < - 0 0 129 -3,-2.0 26,-0.5 26,-0.2 2,-0.2 -0.952 66.1-114.7-116.3 132.8 8.0 3.3 1.6 24 24 A A E -G 48 0B 55 -2,-0.4 2,-0.5 24,-0.1 24,-0.2 -0.418 29.0-172.3 -70.1 129.0 8.5 -0.1 3.1 25 25 A V E -G 47 0B 30 22,-2.3 22,-3.0 -2,-0.2 2,-0.6 -0.987 6.9-158.8-123.2 118.8 12.2 -1.3 3.4 26 26 A V E +G 46 0B 70 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.877 22.0 163.4-102.4 122.4 12.8 -4.9 4.5 27 27 A I E +G 45 0B 13 18,-2.1 18,-2.4 -2,-0.6 17,-1.4 -0.906 10.1 117.4-134.6 163.4 16.2 -5.7 6.0 28 28 A G + 0 0 6 -2,-0.3 5,-0.5 15,-0.2 7,-0.4 -0.849 66.6 9.6 178.7-139.4 18.0 -8.3 8.0 29 29 A R S S+ 0 0 45 12,-2.4 7,-0.1 -2,-0.2 3,-0.1 -0.480 93.2 75.6 -66.4 129.1 20.9 -10.7 7.6 30 30 A G S > S- 0 0 22 5,-0.9 4,-1.9 -2,-0.2 5,-0.4 -0.974 94.6 -47.9 157.7-166.7 22.8 -10.0 4.4 31 31 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.749 122.0 58.2 -72.6 -27.0 25.3 -7.6 2.6 32 32 A E T 4 S+ 0 0 134 1,-0.2 -3,-0.1 -4,-0.1 -5,-0.0 0.935 121.0 24.2 -65.9 -49.1 23.6 -4.4 3.7 33 33 A T T 4 S- 0 0 0 -5,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.669 92.1-138.9 -91.4 -21.6 23.8 -5.0 7.5 34 34 A K < + 0 0 151 -4,-1.9 2,-0.3 1,-0.3 -5,-0.1 0.584 49.7 150.7 65.0 13.2 26.8 -7.4 7.4 35 35 A I + 0 0 7 -7,-0.4 -5,-0.9 -5,-0.4 -1,-0.3 -0.610 22.1 175.5 -72.1 131.0 24.9 -9.4 10.1 36 36 A T + 0 0 123 -2,-0.3 2,-0.2 -7,-0.1 -1,-0.1 0.429 35.1 126.5-114.8 -7.9 25.9 -13.1 9.7 37 37 A D > - 0 0 36 1,-0.2 3,-1.5 2,-0.1 -8,-0.1 -0.365 53.2-150.2 -57.1 117.6 24.0 -14.4 12.8 38 38 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.2 -2,-0.2 4,-0.1 0.642 93.7 67.3 -68.8 -15.4 21.7 -17.2 11.6 39 39 A K T 3 S+ 0 0 122 2,-0.1 2,-0.5 51,-0.1 25,-0.3 0.668 87.8 80.3 -76.0 -19.1 19.2 -16.3 14.3 40 40 A C S < S- 0 0 0 -3,-1.5 50,-0.1 50,-0.1 -12,-0.1 -0.806 86.1-130.5 -87.2 124.8 18.6 -13.1 12.3 41 41 A S - 0 0 41 -2,-0.5 -12,-2.4 23,-0.1 3,-0.5 -0.364 14.0-123.8 -67.7 153.5 16.3 -13.6 9.4 42 42 A R S S+ 0 0 142 1,-0.3 2,-0.5 -14,-0.3 3,-0.2 0.820 118.7 38.9 -63.1 -31.8 17.3 -12.3 6.0 43 43 A Q S S+ 0 0 110 1,-0.1 -1,-0.3 -15,-0.1 -15,-0.2 -0.815 79.3 142.7-117.5 85.4 14.0 -10.5 6.2 44 44 A Q + 0 0 1 -17,-1.4 17,-2.8 -2,-0.5 18,-2.1 0.861 61.5 19.2 -96.2 -45.2 13.9 -9.6 9.9 45 45 A V E -GH 27 60B 0 -18,-2.4 -18,-2.1 15,-0.3 2,-0.5 -0.956 56.9-147.2-129.6 150.3 12.3 -6.1 10.0 46 46 A Q E -GH 26 59B 41 13,-2.8 13,-2.8 -2,-0.3 2,-0.4 -0.983 23.9-160.5-112.8 127.7 10.1 -4.0 7.7 47 47 A L E -GH 25 58B 0 -22,-3.0 -22,-2.3 -2,-0.5 2,-0.5 -0.907 16.5-177.7-117.5 131.2 10.7 -0.3 8.0 48 48 A K E -GH 24 57B 60 9,-2.2 9,-2.8 -2,-0.4 2,-0.2 -0.911 19.8-149.2-128.3 104.3 8.5 2.7 7.0 49 49 A A E -fH 21 56B 0 -29,-0.6 -27,-3.5 -26,-0.5 2,-0.6 -0.458 7.9-158.6 -74.2 139.8 10.1 6.1 7.6 50 50 A E E >> - H 0 55B 20 5,-3.0 4,-1.6 -29,-0.2 5,-1.3 -0.912 13.2-179.7-114.8 98.0 7.9 9.1 8.4 51 51 A C T 45S+ 0 0 4 -2,-0.6 -48,-0.3 1,-0.2 -1,-0.1 0.730 78.4 45.9 -76.4 -24.6 10.2 12.0 7.4 52 52 A N T 45S+ 0 0 101 1,-0.1 -1,-0.2 -50,-0.1 -2,-0.0 0.881 119.8 38.5 -79.4 -42.3 7.9 14.8 8.4 53 53 A K T 45S- 0 0 153 2,-0.1 -2,-0.2 -4,-0.0 -1,-0.1 0.587 106.1-124.5 -90.7 -14.2 6.9 13.4 11.8 54 54 A G T <5 + 0 0 10 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.874 69.0 97.8 75.9 41.4 10.3 12.0 12.7 55 55 A Y E < -H 50 0B 42 -5,-1.3 -5,-3.0 27,-0.1 2,-0.4 -0.935 58.8-134.4-143.2 170.5 9.7 8.4 13.4 56 56 A V E -HI 49 81B 0 25,-2.1 25,-3.3 -2,-0.3 2,-0.5 -0.989 18.4-133.6-129.4 123.7 10.1 5.0 11.7 57 57 A K E -HI 48 80B 65 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.6 -0.641 24.7-161.5 -72.5 123.8 7.4 2.3 11.8 58 58 A V E -HI 47 79B 0 21,-3.0 21,-2.4 -2,-0.5 2,-0.5 -0.948 10.4-175.1-114.8 117.3 9.1 -1.0 12.6 59 59 A K E -HI 46 78B 60 -13,-2.8 -13,-2.8 -2,-0.6 2,-0.5 -0.950 24.1-133.5-108.5 122.8 7.3 -4.3 11.9 60 60 A Q E +Hj 45 75B 3 17,-1.6 16,-3.5 14,-0.5 -15,-0.3 -0.660 31.0 169.2 -74.5 120.5 9.1 -7.4 13.0 61 61 A V + 0 0 52 -17,-2.8 -16,-0.2 -2,-0.5 -17,-0.2 0.757 53.3 77.6 -99.9 -36.9 8.9 -9.9 10.1 62 62 A G S S- 0 0 4 -18,-2.1 4,-0.2 2,-0.1 14,-0.1 -0.263 81.5-124.7 -71.9 162.1 11.3 -12.5 11.4 63 63 A V S S+ 0 0 104 2,-0.1 12,-0.3 12,-0.1 3,-0.1 0.911 87.4 78.9 -75.5 -43.5 10.4 -15.1 14.0 64 64 A N S S- 0 0 57 -25,-0.3 -23,-0.1 1,-0.1 2,-0.1 -0.350 99.8 -80.0 -74.0 149.7 13.2 -14.3 16.5 65 65 A P - 0 0 43 0, 0.0 26,-1.8 0, 0.0 27,-0.4 -0.266 38.3-169.9 -70.8 125.0 12.7 -11.3 18.7 66 66 A T - 0 0 0 24,-0.2 7,-3.2 -4,-0.2 8,-0.5 -0.850 20.9-170.5 -96.4 139.9 13.4 -7.8 17.4 67 67 A S E -CD 72 88A 2 21,-1.9 21,-2.7 -2,-0.4 2,-0.5 -0.906 28.1-143.0-134.5 159.2 13.4 -5.2 20.2 68 68 A I E > S-CD 71 87A 10 3,-2.4 3,-2.1 -2,-0.3 19,-0.2 -0.991 95.7 -16.9-121.1 118.7 13.4 -1.4 20.9 69 69 A D T 3 S- 0 0 74 17,-2.8 -1,-0.1 -2,-0.5 18,-0.1 0.897 131.5 -52.7 46.7 46.9 15.4 -0.6 24.0 70 70 A S T 3 S+ 0 0 64 16,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.233 111.4 124.3 78.0 -8.3 15.2 -4.3 25.0 71 71 A V E < -C 68 0A 102 -3,-2.1 -3,-2.4 1,-0.0 -1,-0.2 -0.748 62.9-126.3 -87.8 115.1 11.3 -4.3 24.7 72 72 A V E -C 67 0A 88 -2,-0.7 -5,-0.3 -5,-0.2 -1,-0.0 -0.316 16.9-162.8 -66.2 135.9 10.3 -7.0 22.2 73 73 A I - 0 0 17 -7,-3.2 -1,-0.1 4,-0.1 -6,-0.1 0.940 30.7-142.2 -79.9 -55.1 8.1 -6.1 19.2 74 74 A G > - 0 0 20 -8,-0.5 3,-2.0 3,-0.1 -14,-0.5 0.161 33.4 -55.4 95.8 144.4 6.9 -9.6 18.2 75 75 A K B 3 S+j 60 0B 111 -12,-0.3 -14,-0.2 1,-0.3 3,-0.1 -0.236 123.5 2.4 -58.9 132.9 6.3 -11.1 14.8 76 76 A D T 3 S+ 0 0 106 -16,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.383 102.7 123.2 69.7 -0.2 3.9 -9.1 12.6 77 77 A Q < - 0 0 113 -3,-2.0 -17,-1.6 -17,-0.2 2,-0.4 -0.578 51.6-143.8 -85.5 155.0 3.6 -6.4 15.3 78 78 A E E +I 59 0B 73 -19,-0.2 2,-0.3 -2,-0.2 -19,-0.2 -0.982 20.3 172.6-129.0 130.4 4.4 -2.8 14.6 79 79 A V E -I 58 0B 62 -21,-2.4 -21,-3.0 -2,-0.4 2,-0.5 -0.980 33.2-114.3-134.7 145.1 6.0 -0.2 16.9 80 80 A K E -I 57 0B 99 -2,-0.3 2,-0.5 -23,-0.2 -23,-0.2 -0.711 23.3-147.4 -84.7 120.8 7.3 3.4 16.2 81 81 A L E -I 56 0B 0 -25,-3.3 -25,-2.1 -2,-0.5 3,-0.1 -0.779 24.6-170.1 -88.3 128.1 11.0 3.9 16.5 82 82 A Q > - 0 0 99 -2,-0.5 3,-2.0 -27,-0.2 16,-0.3 -0.670 32.6 -70.8-120.2 163.6 11.9 7.4 17.8 83 83 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.302 120.4 21.9 -51.6 135.6 14.9 9.7 18.3 84 84 A G T 3 S+ 0 0 79 14,-0.3 2,-0.2 1,-0.3 -3,-0.0 0.174 98.6 115.3 91.2 -17.7 17.0 8.3 21.2 85 85 A Q < - 0 0 41 -3,-2.0 2,-0.5 13,-0.1 13,-0.4 -0.537 57.5-138.6 -86.6 152.6 15.7 4.8 20.9 86 86 A V - 0 0 19 -2,-0.2 -17,-2.8 11,-0.1 2,-0.6 -0.957 7.3-153.5-114.4 124.8 17.8 1.8 20.0 87 87 A L E -DE 68 96A 0 9,-3.3 9,-2.9 -2,-0.5 2,-0.6 -0.858 6.7-157.5 -92.8 121.3 16.5 -0.9 17.6 88 88 A H E -DE 67 95A 35 -21,-2.7 -21,-1.9 -2,-0.6 4,-0.2 -0.915 9.2-148.2 -99.6 121.6 18.1 -4.3 18.2 89 89 A M E S- 0 0 0 5,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.875 74.9 -10.9 -57.5 -44.3 17.8 -6.5 15.0 90 90 A V E > S- E 0 93A 0 3,-1.3 3,-2.2 -24,-0.1 -1,-0.2 -0.968 125.3 -1.5-158.6 142.8 17.6 -9.8 17.0 91 91 A N T 3 S- 0 0 73 -26,-1.8 -25,-0.1 -2,-0.3 3,-0.1 0.804 122.8 -59.5 49.0 43.2 18.1 -11.1 20.5 92 92 A E T 3 S+ 0 0 114 -27,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.722 115.2 113.1 56.9 27.5 19.2 -7.7 21.9 93 93 A L E < + E 0 90A 81 -3,-2.2 -3,-1.3 1,-0.2 -4,-0.5 -0.803 48.3 40.3-120.9 163.9 22.1 -7.6 19.4 94 94 A Y E S- 0 0 49 -2,-0.3 -5,-2.0 -6,-0.2 2,-0.3 0.997 76.1-143.7 64.4 75.8 23.0 -5.5 16.4 95 95 A P E - E 0 88A 17 0, 0.0 -85,-1.9 0, 0.0 -84,-0.6 -0.523 21.6-180.0 -81.0 131.4 21.9 -1.9 17.4 96 96 A Y E -AE 9 87A 0 -9,-2.9 -9,-3.3 -2,-0.3 2,-0.3 -0.951 5.7-171.7-127.0 145.1 20.4 0.6 15.0 97 97 A I E -A 8 0A 25 -89,-2.4 -89,-3.0 -2,-0.3 2,-0.4 -0.891 19.5-126.7-126.4 161.9 19.2 4.1 15.5 98 98 A V E -A 7 0A 10 -13,-0.4 2,-0.4 -2,-0.3 -14,-0.3 -0.917 22.7-174.1-111.7 141.1 17.4 6.5 13.2 99 99 A E E -A 6 0A 50 -93,-2.3 -93,-3.0 -2,-0.4 2,-0.5 -0.979 14.9-147.5-132.1 143.7 18.5 10.0 12.3 100 100 A F E +A 5 0A 39 -2,-0.4 2,-0.3 -95,-0.2 -95,-0.2 -0.967 26.6 171.0-116.7 121.6 16.8 12.8 10.3 101 101 A E E A 4 0A 99 -97,-2.4 -97,-3.7 -2,-0.5 -2,-0.0 -0.930 360.0 360.0-133.4 149.0 19.1 15.1 8.3 102 102 A E 0 0 205 -2,-0.3 -99,-0.1 -99,-0.2 -100,-0.1 -0.288 360.0 360.0 -66.9 360.0 18.7 17.8 5.7