==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-09 3I1C . COMPND 2 MOLECULE: DIISOPROPYL-FLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR A.R.LAMBERT,B.L.STODDARD . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 41.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 37 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 PARALLEL BRIDGES PER LADDER . 4 2 3 3 8 3 1 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 . 2 0 4 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 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 0 242 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.9 11.4 26.0 -6.7 2 2 A E - 0 0 176 3,-0.0 3,-0.0 1,-0.0 0, 0.0 -0.733 360.0-110.7 -93.6 149.6 12.9 26.3 -3.2 3 3 A I - 0 0 55 -2,-0.3 258,-0.1 1,-0.1 257,-0.1 -0.732 39.1-117.7 -78.8 120.6 11.3 24.5 -0.2 4 4 A P - 0 0 74 0, 0.0 258,-2.4 0, 0.0 2,-0.4 -0.340 29.8-151.5 -60.3 137.5 9.8 27.2 2.1 5 5 A V E -a 262 0A 74 256,-0.2 2,-0.4 258,-0.1 258,-0.2 -0.954 11.2-169.0-119.3 129.9 11.4 27.4 5.5 6 6 A I E -a 263 0A 51 256,-2.8 258,-2.9 -2,-0.4 255,-0.0 -0.898 7.8-162.3-110.7 146.2 9.8 28.5 8.8 7 7 A E + 0 0 142 -2,-0.4 258,-0.1 256,-0.2 256,-0.1 -0.760 19.2 179.2-126.9 87.1 11.6 29.1 12.1 8 8 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 289,-0.0 -0.316 39.9 -81.1 -79.4 166.9 9.1 29.2 15.0 9 9 A L - 0 0 141 287,-0.1 2,-0.5 -2,-0.1 287,-0.4 -0.535 40.2-156.0 -71.6 128.6 9.9 29.7 18.6 10 10 A F - 0 0 19 -2,-0.3 2,-0.4 285,-0.1 285,-0.2 -0.940 7.1-161.8-106.7 125.4 11.2 26.6 20.5 11 11 A T E -E 294 0B 63 283,-2.7 283,-1.8 -2,-0.5 2,-0.2 -0.914 22.6-114.9-110.7 133.3 10.7 26.5 24.3 12 12 A K E +E 293 0B 84 -2,-0.4 281,-0.3 281,-0.2 3,-0.1 -0.427 31.6 174.7 -65.8 131.8 12.7 24.2 26.6 13 13 A V E - 0 0 16 279,-3.2 2,-0.3 1,-0.5 280,-0.2 0.808 66.0 -24.4-101.6 -52.7 10.6 21.6 28.3 14 14 A T E -E 292 0B 9 278,-1.2 278,-3.3 37,-0.0 -1,-0.5 -0.972 59.9-160.0-156.2 163.0 13.3 19.5 30.1 15 15 A E + 0 0 94 -2,-0.3 276,-0.2 41,-0.3 275,-0.1 -0.789 58.5 59.8-139.6-179.1 17.0 18.7 29.7 16 16 A D + 0 0 122 273,-0.6 275,-0.2 -2,-0.2 -1,-0.1 0.917 61.8 147.0 59.2 49.0 19.8 16.2 30.7 17 17 A I > - 0 0 1 273,-3.1 3,-2.5 272,-0.2 2,-0.4 -0.874 50.9-129.7-116.7 94.9 18.0 13.3 29.1 18 18 A P T 3 S- 0 0 51 0, 0.0 19,-2.0 0, 0.0 20,-0.3 -0.225 91.2 -9.4 -52.3 101.2 20.6 10.8 27.7 19 19 A G T 3 S- 0 0 0 -2,-0.4 268,-0.1 17,-0.2 15,-0.1 0.792 90.4-146.5 77.9 33.4 19.5 10.2 24.1 20 20 A A < + 0 0 0 -3,-2.5 2,-0.2 266,-0.3 15,-0.2 0.045 41.2 130.4 -36.2 120.2 16.1 12.0 24.6 21 21 A A E +H 34 0C 3 13,-1.7 13,-2.6 1,-0.1 54,-0.1 -0.876 28.9 58.9-156.1-175.0 13.5 10.3 22.4 22 22 A G E - 0 0 4 52,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.840 56.0-167.5 49.6 54.6 10.0 8.7 22.3 23 23 A P E + 0 0 5 0, 0.0 2,-0.3 0, 0.0 53,-0.2 -0.500 18.6 159.8 -69.2 139.4 7.7 11.6 23.4 24 24 A V E -H 32 0C 0 8,-2.0 8,-3.0 -2,-0.2 2,-0.4 -0.984 32.6-141.6-159.6 148.1 4.2 10.5 24.2 25 25 A F E -H 31 0C 0 -2,-0.3 53,-0.2 6,-0.2 6,-0.2 -0.944 19.6-144.5-113.1 137.9 1.0 11.5 26.1 26 26 A D > - 0 0 5 4,-2.0 3,-1.2 -2,-0.4 57,-0.1 -0.229 37.9 -87.8 -88.2-175.3 -1.1 9.1 28.1 27 27 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.0 52,-0.1 56,-0.0 0.680 127.9 51.8 -69.2 -18.9 -4.9 9.1 28.6 28 28 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.449 120.8-105.5 -94.8 -4.0 -4.7 11.5 31.6 29 29 A G < + 0 0 37 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.512 68.7 149.3 91.7 6.9 -2.5 14.0 29.7 30 30 A D - 0 0 68 1,-0.1 -4,-2.0 22,-0.0 2,-0.4 -0.530 43.0-128.7 -73.9 139.0 0.8 13.1 31.4 31 31 A F E -HI 25 51C 1 20,-0.6 20,-2.5 -2,-0.2 2,-0.3 -0.753 27.0-175.7 -95.9 133.3 3.9 13.6 29.3 32 32 A Y E +HI 24 50C 2 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.957 8.1 172.0-128.6 145.3 6.5 10.8 28.9 33 33 A I E - I 0 49C 0 16,-2.3 16,-3.3 -2,-0.3 2,-0.3 -0.903 24.9-122.3-137.2 169.9 9.9 10.4 27.2 34 34 A V E -HI 21 48C 0 -13,-2.6 -13,-1.7 -2,-0.3 14,-0.2 -0.899 5.8-159.4-115.7 148.1 12.6 7.8 27.1 35 35 A A E > + I 0 47C 1 12,-3.1 12,-1.8 -2,-0.3 3,-1.0 -0.773 19.9 169.5-121.2 83.1 16.3 8.0 28.0 36 36 A P T 3 + 0 0 3 0, 0.0 9,-0.4 0, 0.0 10,-0.3 0.714 67.7 61.9 -68.9 -24.8 17.9 5.1 26.1 37 37 A Y T 3 + 0 0 133 -19,-2.0 2,-0.3 7,-0.1 -18,-0.2 0.219 68.4 123.2 -95.4 14.8 21.6 6.0 26.6 38 38 A V < - 0 0 28 -3,-1.0 7,-1.7 -20,-0.3 2,-0.4 -0.617 48.0-160.1 -71.6 131.3 21.5 5.8 30.4 39 39 A E E -K 44 0D 133 -2,-0.3 2,-0.4 5,-0.2 -2,-0.1 -0.918 23.4-168.2-124.1 144.3 24.2 3.2 31.5 40 40 A V E > S-K 43 0D 78 3,-2.0 3,-0.8 -2,-0.4 30,-0.1 -0.986 84.7 -14.8-127.9 120.4 25.1 1.1 34.5 41 41 A N T 3 S- 0 0 168 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.787 127.0 -57.0 57.8 33.3 28.5 -0.6 34.6 42 42 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.758 116.9 111.7 71.0 27.4 29.0 0.1 30.8 43 43 A K E < S-K 40 0D 43 -3,-0.8 -3,-2.0 1,-0.0 -1,-0.3 -0.912 79.4 -79.0-130.8 154.8 25.8 -1.7 30.0 44 44 A P E +K 39 0D 53 0, 0.0 26,-0.4 0, 0.0 -5,-0.2 -0.257 50.8 156.4 -55.6 134.0 22.3 -0.7 28.7 45 45 A A + 0 0 9 -7,-1.7 27,-0.1 -9,-0.4 -8,-0.1 -0.144 17.9 175.4-152.8 42.7 20.1 0.7 31.4 46 46 A G - 0 0 0 25,-2.3 25,-0.3 -10,-0.3 2,-0.3 -0.125 14.6-147.4 -57.2 150.2 17.6 2.9 29.4 47 47 A E E -I 35 0C 35 -12,-1.8 -12,-3.1 16,-0.2 2,-0.5 -0.885 14.6-140.5-126.3 151.0 14.8 4.6 31.3 48 48 A I E -IJ 34 62C 0 14,-2.8 13,-2.4 -2,-0.3 14,-1.5 -0.965 34.0-166.2-107.9 121.4 11.1 5.6 30.7 49 49 A L E -IJ 33 60C 7 -16,-3.3 -16,-2.3 -2,-0.5 2,-0.4 -0.831 20.8-148.2-116.7 145.2 10.5 9.0 32.3 50 50 A R E -IJ 32 59C 75 9,-3.0 9,-2.4 -2,-0.3 2,-0.4 -0.920 20.2-159.3-103.6 137.7 7.5 11.1 33.2 51 51 A I E -IJ 31 58C 3 -20,-2.5 -20,-0.6 -2,-0.4 2,-0.5 -0.976 15.8-134.6-123.6 126.6 8.0 14.9 33.0 52 52 A D > - 0 0 92 5,-1.9 4,-2.4 -2,-0.4 5,-0.2 -0.680 15.8-149.3 -73.5 122.9 5.9 17.6 34.7 53 53 A L T 4 S+ 0 0 68 -2,-0.5 -1,-0.1 1,-0.2 -23,-0.0 0.735 91.3 53.4 -70.2 -24.5 5.2 20.2 32.1 54 54 A K T 4 S+ 0 0 91 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.892 126.9 15.4 -76.4 -42.8 5.1 23.1 34.6 55 55 A T T 4 S- 0 0 108 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.766 90.1-126.9-104.7 -34.8 8.5 22.5 36.3 56 56 A G < + 0 0 12 -4,-2.4 -41,-0.3 1,-0.3 -3,-0.1 0.501 53.6 155.9 91.4 7.4 10.4 20.1 34.0 57 57 A K - 0 0 55 -5,-0.2 -5,-1.9 -43,-0.1 2,-0.3 -0.394 34.2-134.3 -68.6 143.7 11.0 17.7 36.9 58 58 A K E -J 51 0C 90 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.797 17.5-169.9-107.9 141.3 11.7 14.1 36.0 59 59 A T E -J 50 0C 67 -9,-2.4 -9,-3.0 -2,-0.3 2,-0.8 -0.990 23.7-133.2-127.6 122.0 10.2 10.9 37.4 60 60 A V E +J 49 0C 77 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.652 29.1 174.4 -74.4 108.6 11.7 7.5 36.4 61 61 A I E + 0 0 20 -13,-2.4 2,-0.4 -2,-0.8 -12,-0.2 0.949 63.0 7.0 -79.3 -56.0 8.7 5.4 35.6 62 62 A C E -J 48 0C 3 -14,-1.5 -14,-2.8 2,-0.0 -1,-0.3 -0.995 43.4-174.5-138.9 133.3 10.3 2.2 34.3 63 63 A K - 0 0 89 -2,-0.4 -16,-0.2 38,-0.3 2,-0.1 -0.765 34.8-155.2-118.6 80.4 13.9 0.9 34.1 64 64 A P + 0 0 2 0, 0.0 7,-1.4 0, 0.0 2,-0.3 -0.306 22.8 163.5 -72.2 137.0 13.2 -2.3 32.1 65 65 A E E -L 70 0E 103 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.974 21.3-156.9-149.5 137.2 15.4 -5.3 32.2 66 66 A V E > S-L 69 0E 28 3,-2.2 3,-1.7 -2,-0.3 74,-0.0 -0.968 79.9 -20.7-119.0 118.0 14.9 -9.0 31.2 67 67 A N T 3 S- 0 0 147 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.839 130.0 -47.4 53.1 40.5 17.1 -11.6 32.8 68 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.350 112.5 121.4 87.7 -4.8 19.8 -9.1 33.7 69 69 A Y E < -L 66 0E 106 -3,-1.7 -3,-2.2 71,-0.0 -1,-0.2 -0.836 54.7-142.6 -98.7 114.0 19.8 -7.4 30.3 70 70 A G E -L 65 0E 12 -2,-0.7 -5,-0.2 -26,-0.4 -25,-0.2 -0.234 17.8-119.5 -71.0 160.9 18.9 -3.7 30.3 71 71 A G - 0 0 0 -7,-1.4 -25,-2.3 -25,-0.3 -26,-0.1 -0.581 8.4-148.2-104.2 162.2 16.8 -2.1 27.6 72 72 A I - 0 0 24 -2,-0.2 18,-3.1 -27,-0.1 2,-0.2 -0.763 26.4-166.6-122.7 80.8 17.2 0.7 25.0 73 73 A P E +M 89 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.1 -0.523 19.8 158.2 -73.1 135.5 13.7 2.1 24.7 74 74 A I E + 0 0 18 14,-3.0 2,-0.4 1,-0.3 -52,-0.4 0.728 52.0 35.6-122.9 -53.2 13.2 4.4 21.7 75 75 A G E -M 88 0F 5 13,-1.1 13,-3.0 45,-0.4 2,-0.4 -0.908 58.7-166.1-121.3 141.8 9.6 4.9 20.6 76 76 A C E +M 87 0F 5 -2,-0.4 2,-0.3 -53,-0.2 11,-0.2 -0.949 10.8 176.5-128.5 142.4 6.3 5.1 22.5 77 77 A Q E -M 86 0F 33 9,-2.2 9,-3.6 -2,-0.4 2,-0.3 -0.991 26.4-129.4-136.5 141.4 2.6 4.9 21.8 78 78 A C E -M 85 0F 2 -2,-0.3 228,-0.2 7,-0.2 7,-0.2 -0.696 20.6-129.9 -89.7 141.5 -0.2 5.0 24.3 79 79 A D - 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