==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 14-JAN-10 2KSW . COMPND 2 MOLECULE: ORYCTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTES RHINOCEROS; . AUTHOR S.HORITA,J.ISHIBASHI,K.NAGATA,T.MIYAKAWA,M.YAMAKAWA,M.TANOKU . 66 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 7.6 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 . 1 1.5 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 . 6 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 16.7 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+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 0 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL 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 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 V 0 0 89 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 156.2 -2.2 -3.8 5.9 2 2 A P + 0 0 0 0, 0.0 41,-0.1 0, 0.0 20,-0.0 -0.504 360.0 152.9 -69.8 124.4 -5.0 -5.1 8.1 3 3 A V + 0 0 57 -2,-0.3 2,-1.0 5,-0.1 20,-0.1 -0.450 7.6 163.6-153.9 72.1 -8.4 -5.1 6.5 4 4 A G S S- 0 0 2 1,-0.1 4,-0.1 23,-0.0 22,-0.0 -0.258 78.0 -83.3 -87.6 49.1 -10.8 -7.8 7.8 5 5 A S S S+ 0 0 117 -2,-1.0 -1,-0.1 2,-0.3 3,-0.1 0.742 120.5 94.3 58.4 22.4 -13.9 -6.1 6.3 6 6 A D S S+ 0 0 76 1,-0.4 2,-0.3 38,-0.0 -1,-0.1 0.593 92.0 7.8-114.0 -22.5 -13.8 -3.9 9.4 7 7 A a - 0 0 19 37,-0.0 -1,-0.4 2,-0.0 -2,-0.3 -0.978 60.5-149.8-160.8 147.7 -11.9 -0.9 8.0 8 8 A E - 0 0 141 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.961 29.8-108.9-126.0 141.2 -10.4 0.3 4.7 9 9 A P + 0 0 69 0, 0.0 3,-0.1 0, 0.0 27,-0.0 -0.534 64.8 128.3 -69.8 105.5 -7.3 2.4 4.0 10 10 A K S S+ 0 0 162 -2,-0.8 2,-0.0 1,-0.1 0, 0.0 0.190 75.7 23.5-142.2 11.9 -8.6 5.8 2.9 11 11 A L S S+ 0 0 171 -3,-0.1 2,-0.3 24,-0.0 -1,-0.1 -0.309 86.0 100.8 178.3 88.3 -6.7 8.2 5.2 12 12 A b - 0 0 45 -3,-0.1 2,-0.4 26,-0.1 23,-0.1 -0.960 53.8-113.1-162.7 175.2 -3.4 7.3 6.8 13 13 A T - 0 0 110 -2,-0.3 22,-0.5 1,-0.0 21,-0.2 -0.953 25.2-124.9-125.1 143.4 0.4 7.6 6.7 14 14 A M + 0 0 159 -2,-0.4 2,-0.3 20,-0.2 19,-0.2 -0.174 36.3 155.0 -75.9 173.8 3.1 5.1 5.9 15 15 A D - 0 0 91 17,-0.1 20,-0.1 19,-0.0 17,-0.1 -0.975 50.1-102.8-179.7-179.9 6.1 4.3 8.2 16 16 A L S S+ 0 0 122 -2,-0.3 16,-0.0 16,-0.1 -2,-0.0 -0.288 74.5 115.2-119.6 46.3 8.7 1.7 9.2 17 17 A V - 0 0 74 46,-0.1 2,-0.5 2,-0.0 16,-0.4 -0.750 48.2-163.1-119.6 83.8 7.1 0.6 12.5 18 18 A P + 0 0 19 0, 0.0 14,-0.3 0, 0.0 2,-0.2 -0.526 21.9 163.8 -69.7 116.8 6.2 -3.1 12.2 19 19 A H E -A 31 0A 60 12,-2.5 12,-2.0 -2,-0.5 2,-0.4 -0.768 38.3 -99.3-128.2 173.7 3.8 -4.1 14.9 20 20 A c E +A 30 0A 2 30,-1.1 2,-0.3 -2,-0.2 10,-0.2 -0.817 40.8 173.8 -99.9 134.3 1.3 -6.9 15.7 21 21 A F E -A 29 0A 3 8,-2.2 8,-2.5 -2,-0.4 2,-0.5 -0.919 28.4-121.2-135.9 161.2 -2.4 -6.5 15.1 22 22 A L E -A 28 0A 68 -2,-0.3 6,-0.2 6,-0.2 25,-0.1 -0.908 22.8-161.9-108.6 126.4 -5.6 -8.6 15.3 23 23 A N > - 0 0 4 4,-1.1 3,-0.6 -2,-0.5 5,-0.1 -0.891 19.1-145.9-110.3 135.3 -7.7 -9.1 12.2 24 24 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 0.633 106.6 43.3 -69.8 -13.7 -11.4 -10.3 12.3 25 25 A E T 3 S- 0 0 142 2,-0.1 -20,-0.0 0, 0.0 -3,-0.0 0.484 140.9 -0.9-107.8 -8.8 -10.7 -12.1 9.0 26 26 A K S < S- 0 0 148 -3,-0.6 2,-0.5 1,-0.1 -4,-0.0 0.397 80.2-152.8-141.1 -69.1 -7.3 -13.5 9.9 27 27 A G + 0 0 10 2,-0.0 -4,-1.1 -6,-0.0 2,-0.7 -0.965 66.8 50.7 127.0-119.6 -6.0 -12.6 13.4 28 28 A I E +A 22 0A 77 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.446 67.9 157.1 -62.8 106.7 -2.3 -12.4 14.3 29 29 A V E -A 21 0A 34 -8,-2.5 -8,-2.2 -2,-0.7 2,-0.5 -0.968 26.7-158.9-139.9 121.4 -0.9 -10.2 11.6 30 30 A V E +A 20 0A 22 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.867 25.5 152.0-103.2 127.4 2.4 -8.2 11.8 31 31 A V E -A 19 0A 29 -12,-2.0 -12,-2.5 -2,-0.5 2,-0.3 -0.989 34.2-128.0-150.7 155.9 2.9 -5.2 9.5 32 32 A H + 0 0 102 -14,-0.3 -17,-0.1 -2,-0.3 4,-0.1 -0.791 57.9 74.7-107.6 150.2 4.7 -1.9 9.3 33 33 A G S >> S- 0 0 8 -16,-0.4 4,-1.1 -2,-0.3 3,-0.9 -0.020 79.1-101.7 121.8 134.1 3.3 1.5 8.5 34 34 A G H 3> S+ 0 0 18 1,-0.3 4,-3.1 -21,-0.2 -20,-0.2 0.765 117.1 68.3 -53.3 -25.7 1.1 4.1 10.2 35 35 A b H 3> S+ 0 0 24 -22,-0.5 4,-3.3 1,-0.2 5,-0.4 0.940 97.6 48.4 -59.9 -49.8 -1.8 2.8 8.1 36 36 A A H <> S+ 0 0 0 -3,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.812 115.5 46.8 -60.9 -30.4 -1.8 -0.6 9.9 37 37 A L H X S+ 0 0 86 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.902 117.1 40.9 -78.2 -44.0 -1.8 1.3 13.2 38 38 A S H X S+ 0 0 69 -4,-3.1 4,-1.2 2,-0.2 3,-0.4 0.957 118.3 45.4 -68.9 -52.5 -4.5 3.8 12.2 39 39 A K H >X S+ 0 0 7 -4,-3.3 4,-3.3 1,-0.2 3,-0.7 0.907 108.1 58.5 -57.7 -44.2 -6.8 1.3 10.4 40 40 A Y H 3X S+ 0 0 9 -4,-1.2 4,-2.0 -5,-0.4 -1,-0.2 0.876 106.1 48.9 -53.8 -40.3 -6.3 -1.2 13.3 41 41 A K H 3< S+ 0 0 158 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.759 115.1 46.2 -71.7 -24.9 -7.8 1.4 15.7 42 42 A a H << S+ 0 0 71 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.943 113.7 43.8 -81.6 -54.4 -10.7 1.9 13.3 43 43 A Q H < S+ 0 0 8 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.910 138.5 10.8 -57.5 -44.8 -11.6 -1.7 12.5 44 44 A N >< + 0 0 16 -4,-2.0 3,-0.9 -5,-0.4 -1,-0.3 -0.665 64.7 167.8-140.0 81.4 -11.3 -2.6 16.2 45 45 A P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.551 83.6 56.0 -69.7 -6.9 -11.0 0.4 18.5 46 46 A N T 3 S+ 0 0 144 -3,-0.1 -5,-0.1 2,-0.0 -2,-0.0 0.636 91.7 88.2 -98.0 -19.5 -11.6 -2.0 21.4 47 47 A H S < S- 0 0 84 -3,-0.9 2,-0.5 -7,-0.2 -3,-0.0 -0.255 74.1-127.6 -75.4 166.7 -8.7 -4.3 20.5 48 48 A E - 0 0 165 -2,-0.0 2,-0.6 0, 0.0 -2,-0.0 -0.970 18.0-121.8-123.6 121.1 -5.2 -3.9 21.8 49 49 A K - 0 0 61 -2,-0.5 -28,-0.2 1,-0.1 -29,-0.1 -0.430 35.7-120.2 -61.6 106.7 -2.2 -3.9 19.5 50 50 A L + 0 0 33 -2,-0.6 -30,-1.1 -30,-0.2 -1,-0.1 -0.272 48.1 158.2 -51.9 118.9 -0.0 -6.7 20.8 51 51 A G S S+ 0 0 49 -32,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.319 77.5 18.6-126.5 3.8 3.3 -5.2 21.7 52 52 A Y S S+ 0 0 230 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.084 87.9 131.0-163.1 29.2 4.6 -7.8 24.2 53 53 A T > - 0 0 57 1,-0.1 3,-2.2 -33,-0.0 4,-0.2 -0.683 63.6-125.4 -93.8 146.0 2.6 -11.0 23.5 54 54 A H G > S+ 0 0 168 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.746 113.9 60.4 -58.4 -22.9 4.3 -14.4 23.0 55 55 A E G > S+ 0 0 127 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 0.657 90.7 68.0 -79.0 -16.5 2.4 -14.5 19.7 56 56 A c G X> + 0 0 17 -3,-2.2 3,-1.2 1,-0.2 4,-0.7 0.441 67.0 103.1 -81.5 0.3 4.2 -11.4 18.6 57 57 A E G X4 S+ 0 0 139 -3,-0.9 3,-0.7 1,-0.3 4,-0.5 0.787 74.0 61.8 -52.7 -28.1 7.4 -13.5 18.5 58 58 A E G X> S+ 0 0 115 -3,-0.8 4,-2.0 1,-0.2 3,-1.3 0.883 91.2 63.6 -66.7 -39.4 6.9 -13.5 14.7 59 59 A A H <> S+ 0 0 9 -3,-1.2 4,-2.3 1,-0.3 -1,-0.2 0.752 87.2 76.0 -56.6 -23.7 7.2 -9.7 14.5 60 60 A I H << S+ 0 0 120 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.910 107.7 28.2 -54.6 -45.8 10.7 -10.2 15.7 61 61 A K H <4 S+ 0 0 139 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.839 117.5 58.7 -84.5 -37.1 11.8 -11.4 12.3 62 62 A N H < S+ 0 0 86 -4,-2.0 -2,-0.2 2,-0.1 -3,-0.2 0.772 102.4 69.3 -63.1 -25.8 9.2 -9.4 10.3 63 63 A A S < S- 0 0 24 -4,-2.3 2,-0.3 -5,-0.2 -46,-0.1 -0.607 100.1 -93.0 -95.1 155.8 10.7 -6.3 11.9 64 64 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.496 44.6-165.2 -69.8 126.4 14.1 -4.8 11.1 65 65 A R 0 0 175 -2,-0.3 -4,-0.0 1,-0.1 -5,-0.0 -0.782 360.0 360.0-113.6 157.6 16.8 -6.0 13.5 66 66 A P 0 0 183 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.998 360.0 360.0 -69.7 360.0 20.4 -4.6 14.2