==== 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 LYSOSOMAL ASPARTIC PROTEASE 22-APR-93 1LYA . COMPND 2 MOLECULE: CATHEPSIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.T.BALDWIN,T.N.BHAT,S.GULNIK,J.W.ERICKSON . 676 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 32.4 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 . 6 0.9 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 . 81 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 7.7 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 0 0 2 0 0 0 2 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 6 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 PARALLEL BRIDGES PER LADDER . 3 9 3 6 10 5 2 0 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 3 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 1 A G 0 0 82 0, 0.0 2,-0.2 0, 0.0 153,-0.1 0.000 360.0 360.0 360.0-156.6 10.9 80.9 35.2 2 2 A P - 0 0 57 0, 0.0 175,-0.2 0, 0.0 156,-0.1 -0.508 360.0-128.8 -64.0 143.8 13.0 82.0 32.2 3 3 A I E -A 176 0A 12 173,-2.3 173,-2.9 -2,-0.2 2,-0.4 -0.920 19.0-145.7-100.2 112.4 11.1 81.4 29.0 4 4 A P E -A 175 0A 62 0, 0.0 2,-0.5 0, 0.0 171,-0.2 -0.701 11.8-168.8 -82.2 133.1 13.2 79.4 26.4 5 5 A E E -A 174 0A 7 169,-3.2 169,-2.3 -2,-0.4 2,-0.4 -0.991 15.8-143.4-117.6 124.0 12.7 80.3 22.7 6 6 A V E -A 173 0A 36 -2,-0.5 12,-0.5 167,-0.2 2,-0.3 -0.739 17.5-150.1 -86.3 134.3 14.3 77.7 20.4 7 7 A L E -A 172 0A 3 165,-2.8 164,-1.4 -2,-0.4 165,-0.7 -0.799 4.6-137.6-106.7 147.6 15.7 79.4 17.3 8 8 A K E -F 16 0B 61 8,-3.1 8,-1.3 -2,-0.3 2,-0.5 -0.726 17.2-142.2 -93.5 157.2 16.1 77.8 13.8 9 9 A N E -F 15 0B 19 -2,-0.3 2,-0.7 157,-0.2 6,-0.2 -0.967 11.6-167.8-124.7 111.7 19.4 78.5 12.0 10 10 A Y E >> S-F 14 0B 91 4,-3.0 4,-2.4 -2,-0.5 3,-2.3 -0.930 75.2 -39.8-101.5 112.7 19.3 79.1 8.2 11 11 A M T 34 S- 0 0 92 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.598 98.6 -75.5 52.0 25.1 22.9 78.9 6.9 12 12 A D T 34 S+ 0 0 18 2,-0.2 -1,-0.3 151,-0.1 3,-0.1 0.603 129.5 84.1 58.4 18.7 24.5 80.8 9.8 13 13 A A T <4 S+ 0 0 31 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.743 87.2 36.7-117.7 -32.5 23.0 83.8 8.2 14 14 A Q E < -F 10 0B 37 -4,-2.4 -4,-3.0 214,-0.1 2,-0.5 -0.993 57.9-178.1-127.6 119.4 19.3 83.9 9.5 15 15 A Y E +F 9 0B 10 -2,-0.4 17,-0.4 210,-0.2 2,-0.3 -0.984 18.5 160.1-117.9 125.3 18.2 82.9 13.0 16 16 A Y E -F 8 0B 26 -8,-1.3 -8,-3.1 -2,-0.5 2,-0.3 -0.907 18.6-162.9-139.5 164.7 14.4 83.1 13.7 17 17 A G E -G 30 0C 0 13,-2.6 13,-2.5 -2,-0.3 2,-0.4 -0.892 27.7 -94.0-145.4 172.5 11.9 81.6 16.1 18 18 A E E +G 29 0C 80 -12,-0.5 2,-0.3 -2,-0.3 11,-0.2 -0.783 40.7 161.5-105.8 138.7 8.2 81.2 16.4 19 19 A I E -G 28 0C 0 9,-2.1 9,-2.5 -2,-0.4 2,-0.3 -0.861 28.2-125.4-138.8 167.1 5.7 83.5 18.1 20 20 A G E -GH 27 93C 0 73,-2.1 73,-2.0 75,-0.5 2,-0.4 -0.913 10.7-164.1-123.8 147.1 1.9 84.0 18.0 21 21 A I E > +GH 26 92C 0 5,-2.0 5,-2.1 -2,-0.3 71,-0.2 -1.000 59.9 10.3-123.1 126.4 -0.2 87.1 17.2 22 22 A G T 5S- 0 0 1 69,-2.0 42,-0.1 -2,-0.4 68,-0.1 -0.146 90.5 -53.6 103.3 169.1 -3.9 86.8 18.2 23 23 A T T 5S+ 0 0 55 1,-0.2 42,-2.3 2,-0.1 43,-0.4 -0.999 132.0 30.0-127.3 120.2 -6.4 84.7 20.1 24 24 A P T 5S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.751 120.5-105.5 -68.7 159.2 -6.2 82.0 19.1 25 25 A P T 5 - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.216 24.3-155.6 -58.0 128.4 -2.4 82.4 18.2 26 26 A Q E < -G 21 0C 22 -5,-2.1 -5,-2.0 -4,-0.0 2,-0.4 -0.949 28.6-129.1 -96.5 127.1 -1.6 82.7 14.5 27 27 A a E +G 20 0C 47 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.669 34.4 167.8 -87.7 131.8 2.0 81.5 14.3 28 28 A F E -G 19 0C 2 -9,-2.5 -9,-2.1 -2,-0.4 2,-0.4 -0.853 30.6-127.1-129.5 162.3 4.8 83.4 12.6 29 29 A T E +G 18 0C 21 -2,-0.3 97,-2.1 -11,-0.2 96,-1.5 -0.948 33.9 174.5-111.4 138.2 8.6 83.2 12.5 30 30 A V E -Gi 17 126C 0 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.5 -0.953 32.9-120.6-138.6 156.2 10.5 86.3 13.4 31 31 A V E - i 0 127C 13 95,-1.4 97,-2.8 -2,-0.3 2,-1.3 -0.854 27.5-130.8 -98.7 135.1 14.1 87.3 14.0 32 32 A F E - i 0 128C 6 -2,-0.5 2,-0.7 -17,-0.4 97,-0.2 -0.793 34.0-165.4 -89.8 96.8 14.7 88.6 17.4 33 33 A D E > - i 0 129C 14 95,-2.3 97,-3.5 -2,-1.3 3,-1.2 -0.800 27.7-173.9 -96.1 108.8 16.5 91.6 16.3 34 34 A T T 3 S+ 0 0 1 -2,-0.7 165,-0.7 1,-0.2 98,-0.2 0.356 83.4 70.3 -81.9 12.9 18.5 93.7 18.9 35 35 A G T 3 S+ 0 0 15 163,-0.1 2,-0.3 96,-0.1 -1,-0.2 0.424 104.7 28.4-105.6 0.6 19.1 96.2 16.1 36 36 A S < - 0 0 11 -3,-1.2 95,-2.6 92,-0.1 94,-0.4 -0.908 61.8-144.1-145.8 178.4 15.6 97.6 15.9 37 37 A S + 0 0 3 98,-0.5 2,-0.2 -2,-0.3 106,-0.2 0.382 63.3 94.4-132.3 5.0 12.5 98.0 18.1 38 38 A N - 0 0 8 97,-0.2 91,-1.7 104,-0.1 2,-0.4 -0.655 56.0-146.1-101.1 153.2 9.4 97.4 16.0 39 39 A L E +J 128 0C 8 68,-0.2 70,-2.7 89,-0.2 2,-0.3 -0.965 28.4 159.1-114.2 136.0 7.4 94.2 15.6 40 40 A W E -Jk 127 109C 1 87,-1.8 87,-1.3 -2,-0.4 70,-0.2 -0.985 17.2-179.8-157.2 148.6 5.8 93.5 12.3 41 41 A V E - k 0 110C 0 68,-1.8 70,-2.5 -2,-0.3 85,-0.1 -0.857 47.1 -78.5-139.7 162.9 4.5 90.5 10.3 42 42 A P E - k 0 111C 1 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.465 43.3-130.8 -66.7 144.4 2.8 90.5 6.9 43 43 A S B > -n 59 0D 0 68,-2.9 3,-1.0 15,-0.3 17,-0.2 -0.668 10.1-133.0 -87.1 149.1 -0.8 91.5 6.7 44 44 A I T 3 S+ 0 0 63 15,-2.3 -1,-0.1 1,-0.3 16,-0.1 0.574 113.0 60.4 -68.9 -13.1 -3.3 89.3 4.8 45 45 A H T 3 S+ 0 0 92 14,-0.3 -1,-0.3 66,-0.1 2,-0.1 -0.091 77.4 140.2 -98.8 31.2 -4.3 92.7 3.3 46 46 A b < - 0 0 23 -3,-1.0 66,-0.2 1,-0.1 67,-0.2 -0.477 59.2-103.6 -74.5 150.1 -0.8 93.1 1.9 47 47 A K > - 0 0 106 65,-2.4 3,-1.9 1,-0.1 6,-0.2 -0.322 22.7-112.2 -72.8 161.4 -0.8 94.6 -1.6 48 48 A L T 3 S+ 0 0 138 1,-0.3 6,-0.1 5,-0.1 -1,-0.1 0.912 116.7 65.9 -57.2 -40.3 -0.3 92.6 -4.8 49 49 A L T 3 S+ 0 0 122 1,-0.2 2,-1.9 2,-0.1 -1,-0.3 0.699 80.3 87.9 -51.0 -20.8 3.0 94.5 -5.2 50 50 A D X> + 0 0 0 -3,-1.9 3,-0.8 62,-0.3 4,-0.8 -0.552 51.7 170.4 -90.6 85.9 4.3 92.8 -2.1 51 51 A I H >> S+ 0 0 82 -2,-1.9 3,-1.3 1,-0.2 4,-1.0 0.903 73.0 63.5 -60.2 -40.5 5.7 89.7 -3.6 52 52 A A H >4 S+ 0 0 0 62,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.859 97.5 58.2 -51.7 -36.8 7.4 88.8 -0.3 53 53 A b H X4 S+ 0 0 0 -3,-0.8 3,-1.3 1,-0.2 -1,-0.3 0.798 94.0 64.7 -69.2 -26.9 3.9 88.5 1.2 54 54 A W H << S+ 0 0 138 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.891 108.2 40.5 -67.1 -34.5 2.8 85.8 -1.2 55 55 A I T << S+ 0 0 104 -4,-1.0 -1,-0.3 -3,-0.5 2,-0.2 0.186 110.8 62.9-101.4 20.4 5.3 83.4 0.1 56 56 A H S < S- 0 0 21 -3,-1.3 2,-0.4 69,-0.0 69,-0.1 -0.697 93.0 -81.9-131.1-178.4 5.0 84.0 3.8 57 57 A H - 0 0 97 -2,-0.2 2,-0.3 -28,-0.1 -28,-0.1 -0.802 43.9-155.1 -88.9 140.4 2.4 83.7 6.5 58 58 A K - 0 0 77 -2,-0.4 2,-0.4 -17,-0.1 -15,-0.3 -0.846 13.9-121.1-116.1 145.7 0.0 86.7 6.6 59 59 A Y B -n 43 0D 0 -17,-2.8 -15,-2.3 -2,-0.3 2,-0.6 -0.706 18.5-158.3 -89.8 136.5 -1.9 87.8 9.7 60 60 A N > - 0 0 36 -2,-0.4 3,-1.6 -17,-0.2 -17,-0.0 -0.910 3.9-165.6-118.2 111.0 -5.7 87.9 9.5 61 61 A S G > S+ 0 0 7 -2,-0.6 3,-2.2 1,-0.3 6,-0.2 0.859 83.9 64.8 -64.1 -34.6 -7.3 90.2 12.1 62 62 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.618 95.1 60.4 -69.2 -11.7 -10.8 88.9 11.6 63 63 A K G < S+ 0 0 136 -3,-1.6 2,-0.5 1,-0.0 -1,-0.3 0.264 92.9 80.4 -94.9 13.5 -9.7 85.5 13.0 64 64 A S X - 0 0 14 -3,-2.2 3,-0.8 1,-0.1 -42,-0.1 -0.973 57.5-163.1-124.5 129.5 -8.6 87.0 16.4 65 65 A S T 3 S+ 0 0 99 -42,-2.3 -1,-0.1 -2,-0.5 -4,-0.0 0.749 91.3 52.5 -77.6 -23.4 -11.0 87.8 19.2 66 66 A T T 3 S+ 0 0 54 -43,-0.4 2,-0.3 25,-0.1 -1,-0.2 0.104 77.8 125.3 -98.8 20.9 -8.5 90.0 21.0 67 67 A Y < - 0 0 58 -3,-0.8 2,-0.5 -6,-0.2 23,-0.2 -0.645 37.0-172.3 -81.8 135.0 -7.6 92.3 18.1 68 68 A V E -L 89 0C 75 21,-2.6 21,-1.7 -2,-0.3 2,-0.1 -0.994 24.4-125.9-124.7 128.3 -8.0 96.1 18.7 69 69 A K E +L 88 0C 145 -2,-0.5 19,-0.2 19,-0.2 21,-0.0 -0.359 36.7 163.4 -76.7 157.3 -7.6 98.2 15.7 70 70 A N E - 0 0 66 17,-0.7 2,-0.3 2,-0.1 18,-0.2 0.428 13.2-173.8-135.8 -50.1 -5.2 101.0 15.4 71 71 A G E + 0 0 29 16,-2.3 17,-0.1 1,-0.2 -2,-0.0 0.212 30.6 143.6 73.2 -23.8 -4.9 101.6 11.6 72 72 A T E - 0 0 75 -2,-0.3 15,-2.7 14,-0.2 -1,-0.2 -0.244 52.2-119.5 -47.7 132.7 -2.1 104.4 12.1 73 73 A S E -L 86 0C 91 13,-0.3 2,-0.3 -3,-0.1 13,-0.3 -0.399 30.9-171.5 -78.5 158.4 0.4 104.0 9.1 74 74 A F E -L 85 0C 7 11,-2.2 11,-1.6 -2,-0.1 2,-0.3 -0.979 12.1-163.6-142.6 154.3 4.0 103.2 9.7 75 75 A D E -L 84 0C 85 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.925 9.1-173.4-141.7 112.6 7.1 103.1 7.4 76 76 A I E -L 83 0C 9 7,-1.7 7,-2.1 -2,-0.3 2,-0.5 -0.909 3.8-169.0-110.8 130.1 10.3 101.3 8.5 77 77 A H E -L 82 0C 124 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.988 5.9-168.7-118.5 119.5 13.5 101.5 6.5 78 78 A Y - 0 0 40 3,-3.4 2,-2.3 -2,-0.5 -42,-0.0 -0.605 45.1 -95.4 -92.4 165.5 16.2 99.1 7.5 79 79 A G S S+ 0 0 77 -2,-0.2 3,-0.1 1,-0.1 2,-0.0 -0.488 124.0 16.3 -80.2 68.1 19.7 99.5 6.1 80 80 A S S S+ 0 0 96 -2,-2.3 38,-0.1 1,-0.4 2,-0.1 -0.472 125.4 43.6 168.2 -76.0 18.7 96.8 3.5 81 81 A G - 0 0 0 37,-0.1 -3,-3.4 36,-0.1 -1,-0.4 -0.407 56.1-162.5 -97.4 162.9 14.9 96.4 3.4 82 82 A S E +L 77 0C 40 33,-0.7 2,-0.3 -5,-0.3 -5,-0.2 -0.970 16.9 161.6-139.0 148.9 12.0 98.8 3.5 83 83 A L E -L 76 0C 1 -7,-2.1 -7,-1.7 -2,-0.3 2,-0.3 -0.967 12.0-173.2-159.2 168.9 8.4 98.2 4.4 84 84 A S E +LM 75 113C 30 29,-2.0 28,-2.5 -2,-0.3 29,-1.6 -0.936 20.0 130.1-156.8 170.3 5.2 99.9 5.4 85 85 A G E -LM 74 111C 8 -11,-1.6 -11,-2.2 26,-0.3 2,-0.3 -0.943 54.7 -67.5 169.9-149.8 1.7 99.1 6.5 86 86 A Y E -LM 73 110C 51 24,-1.8 24,-3.2 -2,-0.3 -13,-0.3 -0.859 44.7-107.8-128.4 162.3 -0.6 100.1 9.4 87 87 A L E + M 0 109C 8 -15,-2.7 -16,-2.3 -2,-0.3 -17,-0.7 -0.554 36.2 173.8 -91.5 156.6 -0.4 99.5 13.1 88 88 A S E -LM 69 108C 0 20,-2.6 20,-2.2 -18,-0.2 2,-0.4 -0.905 21.8-128.2-150.4 171.5 -2.6 97.1 15.1 89 89 A Q E +LM 68 107C 48 -21,-1.7 -21,-2.6 -2,-0.3 2,-0.3 -0.996 40.0 122.7-133.1 140.3 -3.0 95.7 18.6 90 90 A D E - M 0 106C 0 16,-1.9 16,-2.3 -2,-0.4 2,-0.2 -0.942 60.2 -67.3-174.2 175.5 -3.4 92.1 19.8 91 91 A T E - 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