==== 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 01-DEC-08 3FF3 . COMPND 2 MOLECULE: GLUTAMATE CARBOXYPEPTIDASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,C.BARINKA . 690 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 31 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.6 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 1 1 0 3 4 1 1 1 0 0 0 0 0 3 0 3 0 1 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 5 2 1 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 46 A S > 0 0 95 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 164.0 21.7 79.4 13.4 2 47 A I H > + 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 360.0 55.1 -61.5 -42.0 19.0 77.5 15.2 3 48 A R H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 107.4 48.7 -57.2 -45.2 20.8 74.2 14.2 4 49 A W H > S+ 0 0 159 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 110.2 51.7 -63.1 -37.6 24.0 75.5 15.8 5 50 A K H X S+ 0 0 110 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.893 110.6 49.4 -63.2 -40.6 21.9 76.4 19.0 6 51 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.950 116.8 40.1 -62.1 -47.6 20.4 72.8 19.0 7 52 A V H >< S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.923 115.4 49.6 -69.5 -45.1 23.8 71.1 18.6 8 53 A S H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 102.9 61.9 -72.6 -22.0 25.8 73.4 21.0 9 54 A E H 3< S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.781 83.7 94.5 -71.8 -27.9 23.2 73.1 23.8 10 55 A M << - 0 0 3 -3,-0.8 2,-0.4 -4,-0.8 3,-0.1 -0.440 63.7-159.6 -68.0 139.3 23.8 69.3 24.0 11 56 A K >> - 0 0 95 1,-0.1 4,-1.8 -2,-0.1 3,-0.5 -0.975 26.5-141.5-129.3 135.8 26.4 68.4 26.7 12 57 A A H 3> S+ 0 0 19 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.892 105.8 56.4 -55.3 -40.1 28.5 65.3 27.3 13 58 A E H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.830 105.0 51.8 -68.7 -29.0 27.9 65.6 31.1 14 59 A N H <> S+ 0 0 53 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.889 108.9 49.3 -70.1 -40.6 24.1 65.5 30.6 15 60 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.934 111.5 51.1 -62.7 -39.8 24.4 62.3 28.5 16 61 A K H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 111.5 46.8 -62.7 -46.7 26.6 60.8 31.2 17 62 A S H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.909 112.9 48.4 -66.2 -40.3 24.1 61.7 34.0 18 63 A F H X S+ 0 0 24 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.943 112.2 49.9 -59.6 -49.5 21.1 60.3 32.0 19 64 A L H >X S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 4,-0.6 0.938 110.8 48.7 -59.0 -43.3 23.1 57.1 31.3 20 65 A R H >< S+ 0 0 57 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.917 110.5 52.2 -60.3 -41.6 24.0 56.6 35.0 21 66 A S H 3< S+ 0 0 44 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.730 113.0 44.2 -70.4 -19.9 20.4 57.2 36.0 22 67 A F H << S+ 0 0 8 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.376 108.3 55.6-104.6 4.4 19.0 54.6 33.6 23 68 A T S << S+ 0 0 0 -3,-1.0 478,-0.3 -4,-0.6 -1,-0.1 0.171 72.9 95.3-125.4 15.2 21.5 51.8 34.2 24 69 A K S S+ 0 0 125 -3,-0.2 -1,-0.1 -4,-0.2 -2,-0.1 0.782 94.6 24.0 -75.9 -27.1 21.3 51.1 37.9 25 70 A L S S- 0 0 91 300,-0.1 -1,-0.1 299,-0.1 299,-0.1 -0.936 94.4 -89.9-135.4 157.7 18.8 48.3 37.6 26 71 A P - 0 0 4 0, 0.0 299,-0.2 0, 0.0 298,-0.1 -0.311 30.0-166.0 -63.8 153.2 17.8 45.8 34.8 27 72 A H + 0 0 4 297,-1.7 295,-2.0 6,-0.1 2,-0.1 -0.392 16.3 171.8-143.7 62.9 15.0 47.0 32.5 28 73 A L > - 0 0 13 293,-0.2 3,-1.9 295,-0.2 6,-0.5 -0.413 44.8 -91.7 -67.0 140.7 13.9 43.9 30.6 29 74 A A T 3 S+ 0 0 0 293,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.251 109.8 21.2 -57.8 140.1 10.8 44.3 28.4 30 75 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.403 99.4 113.6 83.7 2.7 7.5 43.5 30.1 31 76 A T S X> S- 0 0 37 -3,-1.9 4,-1.3 1,-0.1 3,-0.6 -0.650 78.9-110.6-104.8 161.2 8.9 44.0 33.6 32 77 A E H 3> S+ 0 0 121 1,-0.2 4,-2.8 -2,-0.2 3,-0.4 0.890 113.7 57.9 -55.6 -40.2 8.0 46.6 36.2 33 78 A Q H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.862 104.9 50.0 -63.2 -35.9 11.4 48.3 36.0 34 79 A N H <> S+ 0 0 0 -3,-0.6 4,-1.4 -6,-0.5 -1,-0.3 0.763 109.8 50.7 -76.9 -20.3 11.0 49.0 32.3 35 80 A F H X S+ 0 0 40 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.904 109.8 50.8 -74.1 -43.5 7.5 50.4 32.8 36 81 A L H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.902 108.1 52.6 -57.6 -40.4 9.0 52.7 35.5 37 82 A L H X S+ 0 0 15 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.909 106.9 53.4 -64.1 -38.7 11.7 53.8 33.1 38 83 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.931 109.3 48.3 -59.0 -44.1 8.9 54.6 30.5 39 84 A K H X S+ 0 0 75 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.886 110.1 51.8 -65.4 -37.2 7.2 56.8 33.2 40 85 A K H X S+ 0 0 93 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.930 111.5 46.9 -62.9 -46.1 10.6 58.5 34.0 41 86 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 112.0 51.0 -62.3 -43.6 11.1 59.3 30.3 42 87 A Q H X S+ 0 0 33 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.916 109.7 49.1 -59.2 -45.8 7.6 60.6 29.9 43 88 A T H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 111.7 50.5 -61.4 -42.3 8.0 62.9 32.9 44 89 A Q H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 108.1 51.4 -62.9 -45.4 11.2 64.2 31.5 45 90 A W H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.8 0.888 109.7 50.2 -59.2 -38.9 9.7 64.9 28.1 46 91 A K H ><5S+ 0 0 126 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.936 110.9 49.3 -65.2 -42.9 6.9 66.9 29.7 47 92 A K H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 105.6 57.5 -59.4 -39.4 9.5 68.9 31.7 48 93 A F H 3<5S- 0 0 23 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.721 122.1-108.2 -67.3 -17.9 11.4 69.6 28.5 49 94 A G T <<5 + 0 0 37 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.591 57.2 163.2 101.2 16.1 8.3 71.2 27.0 50 95 A L < - 0 0 15 -5,-2.2 -1,-0.2 1,-0.1 254,-0.2 -0.322 45.7-123.7 -60.7 153.2 7.1 68.6 24.4 51 96 A D S S+ 0 0 51 252,-1.8 2,-0.3 1,-0.2 253,-0.2 0.802 89.1 3.5 -70.4 -29.7 3.5 69.1 23.3 52 97 A S E -A 303 0A 33 251,-1.1 251,-1.3 -7,-0.1 2,-0.2 -0.978 52.0-178.7-152.2 154.0 2.6 65.6 24.3 53 98 A A E +A 302 0A 4 -2,-0.3 2,-0.3 249,-0.2 249,-0.3 -0.715 24.1 168.3-158.7 101.8 4.2 62.5 25.9 54 99 A K E -A 301 0A 139 247,-2.7 247,-2.8 -2,-0.2 2,-0.5 -0.903 35.5-123.2-120.0 146.8 1.9 59.5 26.2 55 100 A L E -A 300 0A 51 -2,-0.3 2,-0.5 245,-0.2 245,-0.2 -0.801 26.2-167.3 -86.4 131.7 2.3 55.8 27.0 56 101 A V E -A 299 0A 31 243,-2.9 243,-3.2 -2,-0.5 2,-0.3 -0.985 11.8-162.1-121.4 118.9 1.0 53.6 24.2 57 102 A H E -A 298 0A 53 -2,-0.5 2,-0.3 241,-0.2 241,-0.2 -0.682 16.6-179.8-109.0 158.4 0.6 49.9 25.1 58 103 A Y E -A 297 0A 0 239,-1.8 239,-2.7 -2,-0.3 2,-0.6 -0.954 26.7-130.7-142.0 159.6 0.3 46.6 23.3 59 104 A D E +A 296 0A 25 157,-2.3 2,-0.3 -2,-0.3 237,-0.2 -0.944 42.9 165.7-117.1 106.9 -0.1 43.0 24.6 60 105 A V E -A 295 0A 0 235,-2.4 235,-2.9 -2,-0.6 2,-0.6 -0.802 43.9 -91.4-123.7 159.6 2.4 40.9 22.7 61 106 A L E +A 294 0A 5 -2,-0.3 233,-0.2 233,-0.2 2,-0.2 -0.632 49.8 171.7 -72.7 120.9 4.0 37.5 23.0 62 107 A L E -A 293 0A 0 231,-2.5 231,-2.3 -2,-0.6 2,-0.3 -0.646 19.8-140.4-117.3 177.6 7.2 37.6 25.2 63 108 A S E +A 292 0A 0 229,-0.3 229,-0.2 -2,-0.2 42,-0.1 -0.999 21.0 169.0-145.6 133.9 9.3 34.8 26.5 64 109 A Y E -A 291 0A 39 227,-2.3 227,-3.3 -2,-0.3 40,-0.0 -0.981 39.2 -94.2-143.0 155.1 11.1 34.3 29.8 65 110 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 225,-0.2 -0.313 44.4-108.8 -64.0 156.3 12.9 31.4 31.7 66 111 A N > - 0 0 53 3,-0.5 3,-1.4 1,-0.1 223,-0.1 -0.788 21.2-148.3 -88.7 119.4 10.8 29.5 34.2 67 112 A E T 3 S+ 0 0 193 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.763 96.6 41.3 -62.8 -21.7 12.0 30.4 37.6 68 113 A T T 3 S+ 0 0 134 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.337 115.8 46.9-114.4 11.9 11.2 26.9 39.0 69 114 A N S < S- 0 0 58 -3,-1.4 -3,-0.5 220,-0.1 220,-0.3 -0.613 83.5-158.4-143.9 78.9 12.4 24.8 36.0 70 115 A A - 0 0 71 -3,-0.2 2,-0.2 -2,-0.2 -3,-0.1 -0.250 14.7-118.6 -64.7 145.6 15.9 26.2 35.2 71 116 A N + 0 0 19 31,-0.2 2,-0.3 -5,-0.1 217,-0.2 -0.541 43.0 151.7 -78.6 152.1 17.5 25.6 31.8 72 117 A Y E -I 287 0B 52 215,-2.2 215,-2.4 -2,-0.2 2,-0.4 -0.983 37.5-131.1-167.4 165.5 20.8 23.7 31.3 73 118 A I E -I 286 0B 0 -2,-0.3 13,-3.0 213,-0.2 2,-0.3 -0.961 31.4-177.1-118.2 142.9 22.8 21.5 29.0 74 119 A S E -IJ 285 85B 0 211,-2.4 211,-2.7 -2,-0.4 2,-0.4 -0.926 24.8-136.5-134.3 166.6 24.4 18.3 30.3 75 120 A I E -IJ 284 84B 0 9,-2.3 8,-3.1 -2,-0.3 9,-1.4 -0.987 26.3-168.9-118.1 132.6 26.6 15.5 29.3 76 121 A V E -IJ 283 82B 1 207,-2.5 207,-2.2 -2,-0.4 206,-1.9 -0.860 14.3-131.8-119.8 155.1 25.6 11.9 30.3 77 122 A D > - 0 0 19 4,-1.9 3,-1.6 -2,-0.3 204,-0.1 -0.247 44.9 -85.6 -87.8-173.1 27.4 8.6 30.1 78 123 A E T 3 S+ 0 0 109 1,-0.3 203,-0.0 2,-0.1 -1,-0.0 0.568 129.1 58.0 -74.9 -4.0 26.0 5.4 28.8 79 124 A H T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.148 118.8-109.4-103.7 13.1 24.3 4.7 32.2 80 125 A E < + 0 0 128 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.623 69.5 148.2 61.6 21.1 22.4 8.0 32.0 81 126 A T - 0 0 75 199,-0.1 -4,-1.9 1,-0.1 2,-0.5 -0.710 52.5-121.1 -84.9 132.4 24.5 9.5 34.7 82 127 A E E +J 76 0B 88 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.599 34.6 173.3 -72.9 121.0 25.0 13.2 34.5 83 128 A I E + 0 0 65 -8,-3.1 2,-0.3 -2,-0.5 -7,-0.2 0.734 67.3 12.7-100.2 -30.6 28.8 13.9 34.2 84 129 A F E -J 75 0B 40 -9,-1.4 -9,-2.3 163,-0.0 -1,-0.4 -0.991 59.6-170.6-149.0 144.5 28.7 17.6 33.5 85 130 A K E -J 74 0B 97 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.0 -0.999 25.0-126.1-139.8 133.9 26.0 20.3 33.7 86 131 A T 0 0 9 -13,-3.0 153,-0.0 -2,-0.4 -11,-0.0 -0.303 360.0 360.0 -75.7 164.0 26.3 23.9 32.4 87 132 A S 0 0 154 -15,-0.1 -1,-0.1 106,-0.0 106,-0.0 0.886 360.0 360.0-114.8 360.0 25.6 26.5 35.0 88 ! 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 89 137 A P 0 0 80 0, 0.0 3,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 162.5 26.1 40.1 39.2 90 138 A P > - 0 0 3 0, 0.0 3,-2.6 0, 0.0 4,-0.0 -0.192 360.0 -72.4 -57.4 153.8 29.0 42.6 38.2 91 139 A D T 3 S+ 0 0 101 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.251 125.6 24.7 -51.2 132.3 31.0 44.3 41.0 92 140 A G T 3 S+ 0 0 65 -3,-0.1 -1,-0.3 0, 0.0 3,-0.2 0.153 110.8 74.9 95.2 -17.9 28.8 47.0 42.6 93 141 A Y X + 0 0 15 -3,-2.6 3,-1.8 1,-0.1 -2,-0.1 0.027 53.1 121.8-114.3 23.8 25.6 45.2 41.6 94 142 A E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.807 73.2 53.4 -61.6 -28.0 25.7 42.4 44.1 95 143 A N T 3 S+ 0 0 154 -3,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.379 77.5 112.5 -92.1 8.2 22.3 43.4 45.6 96 144 A V < - 0 0 21 -3,-1.8 3,-0.3 1,-0.1 -3,-0.1 -0.709 44.1-176.7 -81.6 124.8 20.4 43.4 42.3 97 145 A T + 0 0 135 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.572 63.1 57.1-105.1 -13.7 18.0 40.4 42.5 98 146 A N + 0 0 63 2,-0.1 2,-0.5 -72,-0.0 -1,-0.2 -0.211 57.5 144.7-119.3 38.5 16.1 40.1 39.2 99 147 A I - 0 0 36 -3,-0.3 225,-0.1 1,-0.0 398,-0.0 -0.680 53.9-123.4 -71.0 125.6 18.9 39.7 36.6 100 148 A V - 0 0 17 -2,-0.5 3,-0.1 223,-0.5 -2,-0.1 -0.554 26.7-118.9 -72.0 134.6 17.3 37.3 34.0 101 149 A P - 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