==== 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/HYDROLASE INHIBITOR 22-APR-93 1LYB . COMPND 2 MOLECULE: CATHEPSIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.T.BALDWIN,T.N.BHAT,S.GULNIK,J.W.ERICKSON . 686 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 2 0.3 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 . 79 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 7.9 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 5 2 0 2 0 0 1 1 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 5 3 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 . 6 9 4 6 9 5 1 1 0 2 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 2 0 2 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 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 G 0 0 47 0, 0.0 176,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 170.9 10.4 83.5 33.4 2 2 A P - 0 0 67 0, 0.0 175,-0.2 0, 0.0 156,-0.1 0.831 360.0-176.2 -61.8 137.0 13.0 82.2 32.3 3 3 A I E -A 176 0A 9 173,-2.3 173,-3.1 175,-0.1 2,-0.4 -0.938 14.7-146.3-103.4 111.8 11.2 81.5 29.0 4 4 A P E -A 175 0A 59 0, 0.0 2,-0.6 0, 0.0 171,-0.2 -0.731 11.6-168.2 -78.4 130.7 13.4 79.5 26.5 5 5 A E E -A 174 0A 6 169,-3.5 169,-3.4 -2,-0.4 2,-0.4 -0.964 13.7-144.5-122.7 114.3 12.9 80.3 22.8 6 6 A V E -A 173 0A 44 -2,-0.6 12,-0.4 167,-0.2 2,-0.3 -0.670 14.9-149.6 -81.4 127.4 14.6 77.9 20.5 7 7 A L E -A 172 0A 3 165,-2.0 164,-1.4 -2,-0.4 165,-0.7 -0.703 7.7-136.5-101.2 146.8 16.0 79.4 17.3 8 8 A K E -F 16 0B 117 8,-3.2 8,-1.9 -2,-0.3 2,-0.4 -0.874 22.6-145.4 -93.8 131.6 16.4 77.8 13.8 9 9 A N E -F 15 0B 19 -2,-0.5 2,-0.5 159,-0.3 6,-0.2 -0.806 11.7-167.0 -96.8 133.4 19.8 78.5 12.3 10 10 A Y E >> S-F 14 0B 87 4,-1.9 4,-2.4 -2,-0.4 3,-1.8 -0.970 71.7 -39.1-123.7 113.7 20.1 79.0 8.6 11 11 A M T 34 S- 0 0 73 -2,-0.5 4,-0.1 1,-0.3 -1,-0.1 0.734 98.9 -78.9 50.1 28.3 23.6 79.0 7.2 12 12 A D T 34 S+ 0 0 15 2,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.478 128.1 87.6 58.0 2.2 24.8 80.9 10.3 13 13 A A T <4 S+ 0 0 29 -3,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.675 87.2 40.5 -98.3 -23.1 23.4 84.0 8.5 14 14 A Q E < +F 10 0B 21 -4,-2.4 -4,-1.9 214,-0.1 2,-0.5 -0.931 56.4 177.3-133.6 114.8 19.8 83.8 9.8 15 15 A Y E +F 9 0B 12 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.958 21.7 153.0-116.5 119.2 18.7 82.9 13.3 16 16 A Y E -F 8 0B 17 -8,-1.9 -8,-3.2 -2,-0.5 2,-0.2 -0.909 20.4-165.6-140.2 166.1 14.9 83.1 13.9 17 17 A G E -G 30 0C 4 13,-2.3 13,-2.2 -2,-0.3 2,-0.4 -0.835 28.8 -87.1-145.8-178.0 12.2 81.5 16.1 18 18 A E E +G 29 0C 77 -12,-0.4 78,-0.3 -2,-0.2 2,-0.3 -0.820 40.2 163.0-110.5 131.0 8.4 81.1 16.4 19 19 A I E -G 28 0C 0 9,-2.6 9,-2.7 -2,-0.4 2,-0.4 -0.782 25.9-129.7-130.4 172.6 6.0 83.5 18.1 20 20 A G E -GH 27 93C 0 73,-2.1 73,-2.0 -2,-0.3 2,-0.4 -0.976 10.9-166.6-132.8 142.9 2.2 84.0 17.9 21 21 A I E > +GH 26 92C 0 5,-2.1 5,-1.4 -2,-0.4 71,-0.2 -0.999 57.9 24.1-124.6 127.4 0.0 86.9 17.3 22 22 A G T 5S- 0 0 0 69,-1.8 42,-0.1 -2,-0.4 4,-0.1 -0.105 87.8 -65.3 109.0 158.9 -3.7 86.6 18.1 23 23 A T T 5S+ 0 0 55 1,-0.2 42,-2.6 2,-0.1 43,-0.4 -0.997 131.7 31.1-121.3 116.5 -6.1 84.6 20.2 24 24 A P T 5S- 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.709 122.3-104.4 -75.5 160.1 -6.0 81.9 19.2 25 25 A P T 5 - 0 0 44 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.200 24.4-160.0 -51.3 135.0 -2.2 82.2 18.2 26 26 A Q E < -G 21 0C 29 -5,-1.4 -5,-2.1 -4,-0.1 2,-0.4 -0.988 29.3-130.8-105.9 125.2 -1.3 82.5 14.5 27 27 A a E +G 20 0C 48 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.706 31.5 172.2 -91.7 134.6 2.4 81.4 14.4 28 28 A F E -G 19 0C 2 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.4 -0.861 29.2-128.3-129.0 158.5 5.1 83.5 12.6 29 29 A T E +G 18 0C 10 -2,-0.3 97,-2.0 -11,-0.2 96,-0.9 -0.879 36.3 168.7-104.6 142.2 8.9 83.2 12.5 30 30 A V E -Gi 17 126C 0 -13,-2.2 -13,-2.3 -2,-0.4 2,-0.5 -0.952 36.3-116.0-143.2 159.1 10.8 86.4 13.4 31 31 A V E - i 0 127C 7 95,-1.0 97,-2.9 -2,-0.3 2,-1.4 -0.883 25.1-131.7 -97.3 139.6 14.4 87.3 14.1 32 32 A F E - i 0 128C 6 -2,-0.5 2,-0.7 -17,-0.4 97,-0.2 -0.772 38.5-170.1 -86.2 89.2 14.8 88.5 17.7 33 33 A D E > - i 0 129C 0 95,-1.5 97,-3.2 -2,-1.4 3,-1.1 -0.760 29.1-170.0 -96.2 110.4 16.8 91.5 16.5 34 34 A T T 3 S+ 0 0 1 -2,-0.7 165,-0.7 1,-0.2 98,-0.2 0.420 80.9 73.6 -80.3 13.3 18.6 93.7 19.0 35 35 A G T 3 S+ 0 0 0 163,-0.1 309,-2.7 96,-0.1 2,-0.3 0.332 105.1 21.0-106.1 7.9 19.3 96.3 16.2 36 36 A S < - 0 0 0 -3,-1.1 95,-2.2 307,-0.2 94,-0.2 -0.913 65.0-138.7-156.3-179.0 15.8 97.7 16.0 37 37 A S + 0 0 3 98,-0.4 2,-0.3 -2,-0.3 106,-0.2 0.336 62.6 98.7-137.8 11.4 12.7 97.8 18.1 38 38 A N - 0 0 11 97,-0.1 91,-1.1 104,-0.1 2,-0.4 -0.778 53.7-148.6-107.5 143.0 9.6 97.1 16.0 39 39 A L E +J 128 0C 7 -2,-0.3 70,-2.4 68,-0.3 2,-0.3 -0.855 29.3 160.8 -99.6 142.4 7.7 93.8 15.7 40 40 A W E -Jk 127 109C 0 87,-1.7 87,-0.8 -2,-0.4 70,-0.2 -0.992 20.2-174.4-159.0 159.8 6.0 93.1 12.4 41 41 A V E - k 0 110C 0 68,-2.1 70,-2.9 -2,-0.3 2,-0.2 -0.921 43.4 -82.1-144.9 163.9 4.6 90.4 10.2 42 42 A P E - k 0 111C 0 0, 0.0 17,-2.7 0, 0.0 2,-0.4 -0.516 45.3-130.5 -68.3 139.9 3.1 90.2 6.6 43 43 A S B > -n 59 0D 0 68,-2.4 3,-1.8 15,-0.2 17,-0.2 -0.770 10.1-131.1 -91.0 142.0 -0.5 91.3 6.5 44 44 A I T 3 S+ 0 0 63 15,-2.6 -1,-0.1 -2,-0.4 16,-0.1 0.621 112.5 59.4 -57.1 -14.0 -3.0 89.1 4.7 45 45 A H T 3 S+ 0 0 87 14,-0.3 -1,-0.3 66,-0.1 2,-0.2 -0.071 76.7 143.0-104.1 28.6 -4.0 92.5 3.1 46 46 A b < - 0 0 23 -3,-1.8 67,-0.2 1,-0.1 66,-0.1 -0.522 58.4 -99.8 -74.1 143.6 -0.5 93.1 1.6 47 47 A K > - 0 0 102 65,-1.8 3,-1.8 -2,-0.2 6,-0.2 -0.089 27.6-111.1 -55.9 157.8 -0.5 94.7 -1.8 48 48 A L T 3 S+ 0 0 142 1,-0.3 6,-0.1 -3,-0.1 -1,-0.1 0.936 117.0 65.4 -60.0 -41.0 -0.1 92.6 -4.9 49 49 A L T 3 S+ 0 0 138 1,-0.2 2,-1.5 2,-0.1 -1,-0.3 0.597 78.1 93.2 -52.2 -10.6 3.4 94.3 -5.4 50 50 A D X> + 0 0 0 -3,-1.8 3,-1.9 1,-0.2 4,-0.9 -0.312 48.5 170.8 -93.5 65.8 4.6 92.6 -2.1 51 51 A I H >> S+ 0 0 82 -2,-1.5 4,-0.8 1,-0.3 3,-0.7 0.807 70.5 66.7 -37.5 -46.2 6.1 89.5 -3.6 52 52 A A H >4 S+ 0 0 0 62,-0.5 3,-1.2 1,-0.2 -1,-0.3 0.862 97.7 48.1 -51.1 -45.5 7.6 88.6 -0.2 53 53 A b H X4 S+ 0 0 0 -3,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.856 96.5 72.1 -74.7 -19.9 4.2 87.9 1.6 54 54 A W H << S+ 0 0 137 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.817 109.4 34.3 -62.4 -25.6 3.0 85.7 -1.2 55 55 A I T << S+ 0 0 111 -3,-1.2 -1,-0.3 -4,-0.8 2,-0.3 0.139 114.7 67.6-111.8 22.9 5.5 83.1 0.1 56 56 A H S < S- 0 0 20 -3,-2.3 2,-0.3 69,-0.0 68,-0.1 -0.815 93.3 -80.7-132.2 173.6 5.4 83.9 3.8 57 57 A H - 0 0 103 -2,-0.3 2,-0.4 -28,-0.1 -28,-0.1 -0.638 45.6-151.1 -78.9 136.8 2.8 83.5 6.6 58 58 A K - 0 0 82 -2,-0.3 2,-0.3 -17,-0.1 -15,-0.2 -0.901 7.9-129.6-114.3 137.5 0.2 86.2 6.7 59 59 A Y B -n 43 0D 0 -17,-2.7 -15,-2.6 -2,-0.4 2,-0.5 -0.649 17.4-164.6 -82.5 136.7 -1.6 87.6 9.7 60 60 A N > - 0 0 42 -2,-0.3 3,-1.3 -17,-0.2 -17,-0.0 -0.961 8.5-163.5-126.6 114.9 -5.4 87.9 9.5 61 61 A S G > S+ 0 0 10 -2,-0.5 3,-2.6 1,-0.3 6,-0.2 0.864 83.0 72.2 -64.4 -34.3 -7.0 90.0 12.2 62 62 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.553 93.8 56.8 -65.1 -7.7 -10.5 88.6 11.5 63 63 A K G < S+ 0 0 131 -3,-1.3 2,-0.5 -39,-0.0 -1,-0.3 0.199 93.0 84.4-102.4 14.8 -9.4 85.3 13.2 64 64 A S X - 0 0 15 -3,-2.6 3,-0.6 1,-0.1 -42,-0.0 -0.955 54.9-166.9-122.0 133.2 -8.4 86.9 16.4 65 65 A S T 3 S+ 0 0 101 -42,-2.6 -1,-0.1 -2,-0.5 -3,-0.0 0.735 90.5 54.1 -84.9 -19.5 -10.8 87.7 19.2 66 66 A T T 3 S+ 0 0 55 -43,-0.4 2,-0.3 -42,-0.1 -1,-0.2 0.104 77.5 125.5 -99.9 18.9 -8.3 89.9 20.9 67 67 A Y < - 0 0 66 -3,-0.6 2,-0.4 -6,-0.2 23,-0.2 -0.638 36.3-171.4 -82.1 140.3 -7.5 92.3 18.1 68 68 A V E -L 89 0C 74 21,-2.0 21,-1.0 -2,-0.3 2,-0.1 -0.996 23.5-131.5-124.1 125.6 -7.8 96.0 18.6 69 69 A K E +L 88 0C 149 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.414 33.8 164.3 -77.4 161.1 -7.4 98.0 15.3 70 70 A N E - 0 0 68 17,-0.7 18,-0.2 -2,-0.1 -1,-0.2 0.398 15.3-169.5-141.6 -53.6 -5.1 101.0 15.2 71 71 A G E + 0 0 36 16,-2.5 17,-0.1 1,-0.2 -2,-0.0 0.328 29.5 143.8 79.4 -12.2 -4.5 101.8 11.5 72 72 A T E - 0 0 77 15,-0.1 15,-2.9 14,-0.1 -1,-0.2 -0.377 54.4-111.3 -65.5 143.2 -1.7 104.4 11.8 73 73 A S E -L 86 0C 94 13,-0.2 2,-0.3 36,-0.1 13,-0.2 -0.367 34.5-172.6 -68.2 150.0 0.9 104.0 9.0 74 74 A F E -L 85 0C 9 11,-2.2 11,-2.2 36,-0.1 2,-0.3 -0.982 7.0-176.6-142.0 151.8 4.5 102.8 9.8 75 75 A D E -L 84 0C 78 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 5.6-174.5-146.1 126.3 7.5 102.6 7.5 76 76 A I E -L 83 0C 7 7,-1.6 7,-1.9 -2,-0.3 2,-0.5 -0.979 10.6-160.7-130.0 141.7 11.0 101.1 8.5 77 77 A H E -L 82 0C 83 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.993 12.9-169.8-119.4 129.1 14.3 101.0 6.6 78 78 A Y - 0 0 10 3,-3.3 266,-0.2 -2,-0.5 265,-0.2 -0.701 42.2-105.0-104.8 166.6 16.8 98.5 7.7 79 79 A G S S+ 0 0 26 264,-2.7 264,-0.2 -2,-0.3 265,-0.1 0.794 127.0 37.8 -60.4 -29.1 20.5 98.3 6.6 80 80 A S S S- 0 0 31 262,-1.5 2,-0.3 263,-0.3 38,-0.2 0.773 124.6 -11.5 -89.6 -33.2 19.1 95.4 4.6 81 81 A G - 0 0 11 261,-0.2 -3,-3.3 262,-0.2 2,-0.4 -0.964 50.8-116.2-165.0 175.3 15.5 96.4 3.4 82 82 A S E +L 77 0C 36 33,-0.7 2,-0.3 -2,-0.3 -5,-0.2 -0.918 28.3 165.0-123.5 146.3 12.5 98.6 3.4 83 83 A L E -L 76 0C 0 -7,-1.9 -7,-1.6 -2,-0.4 2,-0.3 -0.954 9.5-173.5-149.6 171.0 8.9 97.9 4.4 84 84 A S E +LM 75 113C 34 29,-1.9 28,-2.3 -2,-0.3 29,-1.8 -0.965 21.9 123.1-156.8 158.9 5.6 99.8 5.1 85 85 A G E -LM 74 111C 10 -11,-2.2 -11,-2.2 26,-0.3 2,-0.3 -0.962 54.4 -68.2 174.5-150.8 2.2 99.0 6.4 86 86 A Y E -LM 73 110C 57 24,-2.1 24,-3.2 -2,-0.3 -13,-0.2 -0.899 43.0-111.9-128.7 154.5 -0.2 99.9 9.1 87 87 A L E + M 0 109C 8 -15,-2.9 -16,-2.5 -2,-0.3 -17,-0.7 -0.540 34.0 173.9 -86.8 155.1 -0.1 99.2 12.9 88 88 A S E -LM 69 108C 0 20,-2.2 20,-1.3 -18,-0.2 2,-0.3 -0.700 22.1-123.9-141.2-175.7 -2.3 97.0 14.9 89 89 A Q E +LM 68 107C 46 -21,-1.0 -21,-2.0 18,-0.3 2,-0.3 -0.994 39.6 125.2-144.2 138.4 -2.7 95.6 18.4 90 90 A D E - M 0 106C 1 16,-2.4 16,-2.4 -2,-0.3 2,-0.2 -0.966 56.9 -73.2-173.3 173.1 -3.0 92.1 19.7 91 91 A T E - 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