==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTIC PROTEASE 30-JUN-98 1LYW . COMPND 2 MOLECULE: CATHEPSIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.Y.LEE,S.V.GULNIK,J.W.ERICKSON . 1344 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 958 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 392 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 186 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 8 4 0 4 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 12 4 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 . 12 22 2 14 10 15 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 4 0 0 2 5 1 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 3 A I 0 0 41 0, 0.0 2,-0.3 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 109.7 146.2 -2.3 82.3 2 4 A P > - 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.644 360.0-130.4 -79.2 136.2 145.2 -1.9 86.0 3 5 A E T 3 S+ 0 0 66 -2,-0.3 3,-0.3 1,-0.3 73,-0.0 0.518 98.8 77.5 -61.4 -6.8 147.1 0.4 88.4 4 6 A V T 3 S+ 0 0 116 1,-0.2 -1,-0.3 74,-0.0 73,-0.0 0.902 93.9 48.3 -69.1 -42.4 147.4 -2.4 90.9 5 7 A L S < S+ 0 0 5 -3,-1.5 221,-1.0 220,-0.1 222,-0.4 0.516 91.7 107.2 -75.5 -8.6 150.2 -4.0 88.9 6 8 A K B -A 225 0A 20 -3,-0.3 219,-0.3 -4,-0.3 3,-0.1 -0.599 62.8-147.6 -77.5 133.0 151.9 -0.6 88.6 7 9 A N + 0 0 24 217,-2.2 2,-0.7 -2,-0.3 -1,-0.1 0.966 47.6 135.6 -63.0 -90.5 155.1 -0.1 90.7 8 10 A Y S S+ 0 0 14 216,-0.4 111,-1.8 1,-0.2 114,-0.2 0.255 70.8 65.6 63.0 -21.8 155.1 3.6 91.6 9 11 A M S S+ 0 0 61 -2,-0.7 -1,-0.2 109,-0.2 112,-0.1 0.660 126.6 6.1 -99.2 -25.4 156.1 2.5 95.2 10 12 A D S S+ 0 0 86 109,-0.1 -3,-0.1 615,-0.0 108,-0.0 -0.142 85.6 170.7-146.7 38.9 159.4 1.2 94.1 11 13 A A - 0 0 3 1,-0.1 3,-0.1 2,-0.1 213,-0.1 -0.240 24.2-152.4 -54.2 143.2 159.7 2.1 90.4 12 14 A Q S S+ 0 0 47 211,-0.4 2,-0.7 1,-0.2 157,-0.3 0.663 77.4 62.7 -92.0 -23.2 163.1 1.4 89.0 13 15 A Y + 0 0 0 210,-0.5 17,-2.4 17,-0.2 2,-0.3 -0.770 67.3 126.1-114.8 91.7 163.2 4.1 86.2 14 16 A Y E +B 29 0B 24 -2,-0.7 2,-0.3 155,-0.3 15,-0.2 -0.854 19.9 158.7-135.5 166.7 162.9 7.6 87.5 15 17 A G E -B 28 0B 21 13,-1.5 13,-2.1 -2,-0.3 2,-0.3 -0.954 40.9 -76.8-172.8 177.5 164.9 10.8 87.1 16 18 A E E +B 27 0B 78 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.697 41.7 166.6 -98.7 142.4 164.6 14.6 87.4 17 19 A I E -B 26 0B 0 9,-2.0 9,-1.8 -2,-0.3 2,-0.3 -0.838 24.9-125.6-137.1 176.2 162.9 16.9 84.9 18 20 A G E -BC 25 91B 0 73,-2.2 73,-2.7 -2,-0.3 2,-0.4 -0.961 12.3-165.2-133.7 147.3 161.8 20.5 85.1 19 21 A I E > +BC 24 90B 0 5,-1.6 5,-1.9 -2,-0.3 71,-0.2 -0.992 57.0 9.6-129.1 136.7 158.6 22.5 84.5 20 22 A G T 5S- 0 0 0 69,-1.2 42,-0.1 -2,-0.4 4,-0.1 -0.026 91.0 -56.5 89.3 172.2 158.4 26.2 84.1 21 23 A T T 5S+ 0 0 32 1,-0.2 42,-2.9 2,-0.1 43,-0.3 -0.944 134.6 34.2-135.1 109.0 160.9 29.1 83.7 22 24 A P T 5S- 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.521 119.7-115.5 -61.9 149.5 162.8 29.1 86.0 23 25 A P T 5 - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.317 21.6-147.9 -60.5 142.4 162.5 25.3 85.9 24 26 A Q E < -B 19 0B 38 -5,-1.9 -5,-1.6 -4,-0.1 2,-0.2 -0.985 22.3-127.5-113.9 122.3 161.0 23.7 89.0 25 27 A a E +B 18 0B 41 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.536 32.5 168.6 -80.4 142.3 162.5 20.3 89.7 26 28 A F E -B 17 0B 1 -9,-1.8 -9,-2.0 -2,-0.2 2,-0.6 -0.993 30.0-136.0-147.9 137.8 160.5 17.1 90.2 27 29 A T E +B 16 0B 20 -2,-0.3 96,-3.7 -11,-0.2 97,-1.1 -0.870 36.4 173.9 -96.3 122.2 161.5 13.5 90.3 28 30 A V E -Bd 15 124B 0 -13,-2.1 -13,-1.5 -2,-0.6 2,-0.6 -0.892 35.2-103.7-125.7 167.2 159.0 11.5 88.2 29 31 A V E -Bd 14 125B 0 95,-2.2 97,-2.2 -2,-0.3 2,-0.8 -0.799 27.2-134.3 -97.4 120.2 158.6 7.9 87.1 30 32 A F E - d 0 126B 10 -17,-2.4 2,-0.6 -2,-0.6 97,-0.2 -0.649 33.1-174.7 -74.0 109.9 159.5 7.3 83.5 31 33 A D E > - d 0 127B 0 95,-1.9 97,-2.2 -2,-0.8 3,-1.6 -0.826 25.8-172.9-120.5 98.7 156.6 5.1 82.5 32 34 A T T 3 S+ 0 0 0 -2,-0.6 165,-0.5 1,-0.3 98,-0.2 0.474 83.2 65.1 -68.2 3.7 156.3 3.5 79.0 33 35 A G T 3 S+ 0 0 7 163,-0.1 2,-0.3 96,-0.1 -1,-0.3 0.339 101.9 44.4-108.6 8.4 152.8 2.2 79.7 34 36 A S < - 0 0 21 -3,-1.6 95,-3.1 92,-0.1 94,-0.6 -0.896 63.4-148.2-140.9 168.7 151.1 5.5 80.0 35 37 A S + 0 0 1 98,-0.5 2,-0.3 -2,-0.3 99,-0.1 0.221 62.3 89.3-130.1 17.4 151.1 8.8 78.0 36 38 A N - 0 0 30 97,-0.1 91,-2.3 104,-0.1 2,-0.4 -0.869 55.5-146.7-120.3 150.4 150.5 11.7 80.4 37 39 A L E +E 126 0B 7 -2,-0.3 70,-1.6 68,-0.3 2,-0.3 -0.937 26.8 162.8-112.1 133.1 152.8 13.9 82.6 38 40 A W E -Ef 125 107B 10 87,-2.0 87,-1.0 -2,-0.4 70,-0.2 -0.980 12.8-175.4-151.6 143.4 151.5 15.2 85.9 39 41 A V E - f 0 108B 0 68,-2.6 70,-2.5 -2,-0.3 85,-0.2 -0.865 40.3 -83.5-132.0 164.2 153.2 16.6 89.0 40 42 A P E - f 0 109B 8 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.303 44.5-132.8 -66.7 156.3 151.8 17.7 92.5 41 43 A S B -j 57 0C 0 68,-1.8 3,-0.3 15,-0.3 17,-0.2 -0.847 12.6-129.2-111.5 150.5 150.3 21.2 92.6 42 44 A I S S+ 0 0 74 15,-2.2 2,-2.2 -2,-0.3 -1,-0.1 0.881 106.2 70.9 -64.1 -30.0 151.1 23.8 95.3 43 45 A H S S+ 0 0 100 14,-0.3 -1,-0.3 -3,-0.1 2,-0.1 -0.275 73.7 169.1 -83.5 56.1 147.3 24.1 95.6 44 46 A b - 0 0 39 -2,-2.2 67,-0.2 -3,-0.3 66,-0.1 -0.466 36.3-137.0 -72.9 139.2 146.9 20.7 97.2 45 47 A K S S+ 0 0 108 65,-3.2 2,-0.3 -2,-0.1 -1,-0.1 0.895 85.0 31.9 -62.5 -42.0 143.5 20.0 98.6 46 48 A L S S- 0 0 79 64,-0.4 2,-1.5 -3,-0.0 5,-0.2 -0.897 73.5-129.6-122.3 148.9 144.7 18.4 101.8 47 49 A L + 0 0 80 -2,-0.3 539,-2.7 4,-0.1 540,-0.2 -0.725 60.8 138.1 -93.6 82.0 147.8 19.0 104.0 48 50 A D S > S- 0 0 35 -2,-1.5 4,-1.9 537,-0.2 3,-0.1 -0.574 73.7 -84.7-114.1-178.1 148.7 15.3 104.1 49 51 A I H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.839 127.5 57.6 -58.9 -32.6 152.1 13.4 103.9 50 52 A A H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.931 110.1 41.0 -65.5 -46.4 151.7 13.5 100.1 51 53 A b H 4 S+ 0 0 9 -5,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.771 115.1 56.3 -72.6 -25.5 151.5 17.3 100.0 52 54 A W H < S+ 0 0 65 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.990 116.4 25.4 -69.6 -64.0 154.2 17.6 102.6 53 55 A I H < S+ 0 0 15 -4,-2.2 -2,-0.1 -5,-0.1 -3,-0.1 0.722 104.5 87.8 -77.0 -25.9 157.2 15.7 101.2 54 56 A H S < S- 0 0 5 -4,-1.4 2,-0.4 -5,-0.4 69,-0.1 -0.318 79.7-114.6 -75.0 161.2 156.4 16.0 97.5 55 57 A H - 0 0 78 -28,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.793 34.2-154.9 -92.2 135.2 157.5 18.8 95.2 56 58 A K - 0 0 47 -2,-0.4 -15,-0.3 -17,-0.1 2,-0.2 -0.905 14.1-114.6-120.8 145.1 154.6 20.9 93.9 57 59 A Y B -j 41 0C 0 -17,-3.1 -15,-2.2 -2,-0.4 2,-0.5 -0.519 23.6-169.1 -76.2 135.3 154.3 23.0 90.8 58 60 A N - 0 0 35 -2,-0.2 3,-0.5 -17,-0.2 -17,-0.0 -0.951 9.2-176.4-127.1 106.7 153.8 26.8 91.2 59 61 A S S > S+ 0 0 16 -2,-0.5 3,-1.0 1,-0.2 6,-0.2 0.759 78.6 74.3 -73.9 -25.5 152.8 28.6 88.0 60 62 A D T 3 S+ 0 0 49 1,-0.3 2,-0.7 678,-0.1 -1,-0.2 0.901 97.5 52.2 -53.0 -36.1 152.9 32.0 89.7 61 63 A K T 3 S+ 0 0 57 -3,-0.5 -1,-0.3 677,-0.1 2,-0.3 -0.365 93.6 89.2 -98.7 53.4 156.7 31.6 89.5 62 64 A S < - 0 0 9 -3,-1.0 3,-0.4 -2,-0.7 -42,-0.1 -0.835 52.3-164.1-154.5 113.8 157.0 30.8 85.8 63 65 A S S S+ 0 0 57 -42,-2.9 -1,-0.1 -2,-0.3 -4,-0.0 0.684 94.8 47.8 -69.7 -18.9 157.4 33.2 82.9 64 66 A T S S+ 0 0 48 -43,-0.3 -1,-0.2 25,-0.1 39,-0.1 0.668 81.4 120.6 -95.7 -21.9 156.5 30.6 80.3 65 67 A Y - 0 0 59 -3,-0.4 2,-0.4 -6,-0.2 23,-0.2 -0.095 41.7-165.0 -47.0 137.7 153.3 29.2 81.9 66 68 A V B -G 87 0B 67 21,-2.1 21,-2.5 0, 0.0 -1,-0.1 -0.991 21.0-121.2-131.5 122.2 150.0 29.3 80.0 67 69 A K + 0 0 145 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.143 41.4 152.5 -56.8 152.3 146.7 28.8 81.7 68 70 A N - 0 0 75 17,-0.4 18,-0.2 19,-0.0 -1,-0.2 0.267 18.6-172.7-145.1 -63.0 144.3 26.0 80.6 69 71 A G + 0 0 26 16,-1.8 2,-0.1 1,-0.3 17,-0.1 0.316 22.1 153.8 80.7 -12.4 142.2 24.9 83.5 70 72 A T - 0 0 68 14,-0.1 15,-2.8 1,-0.1 -1,-0.3 -0.391 42.1-139.5 -51.2 112.0 140.4 21.9 82.0 71 73 A S E -H 84 0B 99 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.599 23.0-168.4 -79.9 148.5 139.8 20.1 85.3 72 74 A F E +H 83 0B 34 11,-2.6 11,-1.6 -2,-0.2 2,-0.1 -0.921 19.9 175.1-135.3 165.1 140.3 16.3 85.4 73 75 A D E +H 82 0B 103 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.548 5.8 175.0-172.1 93.8 139.6 13.4 87.6 74 76 A I E -H 81 0B 52 7,-1.6 7,-2.7 -2,-0.1 2,-1.6 -0.800 39.6-117.4-102.4 147.9 140.3 9.7 86.7 75 77 A H - 0 0 123 -2,-0.3 2,-1.8 5,-0.3 5,-0.3 -0.618 28.9-151.6 -87.7 79.2 139.8 6.9 89.3 76 78 A Y > - 0 0 32 -2,-1.6 3,-1.5 1,-0.1 2,-0.6 -0.288 45.7 -89.7 -52.0 78.7 143.4 5.8 89.4 77 79 A G T 3 S+ 0 0 29 -2,-1.8 -1,-0.1 1,-0.3 -73,-0.0 -0.249 122.9 30.6 50.4 -95.2 142.7 2.2 90.3 78 80 A S T 3 S- 0 0 77 -2,-0.6 -1,-0.3 2,-0.0 2,-0.1 0.927 134.9 -13.8 -56.3 -56.9 142.7 2.5 94.1 79 81 A G S < S- 0 0 25 -3,-1.5 2,-0.4 -5,-0.0 33,-0.0 -0.154 84.4 -72.6-124.8-142.3 141.5 6.1 94.4 80 82 A S - 0 0 44 -5,-0.3 2,-0.6 -2,-0.1 -5,-0.3 -0.996 27.5-153.8-129.5 130.4 141.0 9.2 92.3 81 83 A L E +H 74 0B 2 -7,-2.7 -7,-1.6 -2,-0.4 2,-0.4 -0.944 28.8 175.5-104.3 115.4 143.8 11.4 90.9 82 84 A S E +HI 73 111B 8 29,-3.2 29,-2.3 -2,-0.6 28,-2.0 -0.952 18.4 100.2-129.1 150.8 142.5 14.9 90.4 83 85 A G E -HI 72 109B 5 -11,-1.6 -11,-2.6 -2,-0.4 2,-0.3 -0.873 57.8 -77.7 176.9-146.7 143.8 18.3 89.4 84 86 A Y E -HI 71 108B 57 24,-2.4 24,-2.9 -13,-0.3 -13,-0.2 -0.976 33.8-104.5-146.1 155.6 143.8 20.5 86.3 85 87 A L E + I 0 107B 15 -15,-2.8 -16,-1.8 -2,-0.3 -17,-0.4 -0.486 38.9 173.1 -77.4 152.4 145.6 20.8 83.0 86 88 A S E - I 0 106B 0 20,-1.8 20,-2.5 -18,-0.2 2,-0.3 -0.978 24.4-127.0-157.2 151.4 148.2 23.5 82.5 87 89 A Q E +GI 66 105B 51 -21,-2.5 -21,-2.1 -2,-0.3 2,-0.3 -0.800 41.7 127.4-107.0 147.7 150.7 24.5 79.8 88 90 A D E - I 0 104B 1 16,-2.1 16,-2.6 -2,-0.3 2,-0.5 -0.967 57.0 -76.2-176.4 177.8 154.5 25.2 80.2 89 91 A T E - 0 0 10 -2,-0.3 -69,-1.2 14,-0.2 2,-0.4 -0.867 40.1-151.2 -96.8 123.3 158.0 24.3 79.1 90 92 A V E -CI 19 101B 0 11,-2.8 11,-3.3 -2,-0.5 2,-0.5 -0.768 7.8-159.3 -96.9 137.0 159.4 21.0 80.2 91 93 A S E -CI 18 100B 4 -73,-2.7 -73,-2.2 -2,-0.4 9,-0.2 -0.945 11.0-133.4-120.7 127.5 163.2 20.5 80.7 92 94 A V S S+ 0 0 18 7,-1.6 7,-0.4 -2,-0.5 2,-0.1 -0.956 94.1 14.8-129.8 116.6 165.1 17.2 80.8 93 95 A P S S- 0 0 55 0, 0.0 6,-0.3 0, 0.0 -76,-0.3 0.651 82.5-149.2 -80.8-174.3 166.9 17.0 82.9 94 96 A a 0 0 11 1,-0.3 -76,-0.1 -78,-0.2 4,-0.1 0.979 360.0 360.0 -74.6 -74.6 166.0 19.8 85.2 95 97 A Q 0 0 113 -78,-0.1 -1,-0.3 2,-0.1 -79,-0.1 -0.762 360.0 360.0 -88.9 360.0 169.3 20.8 86.8 96 !* 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 97 106 B G 0 0 66 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 123.4 170.2 21.5 81.7 98 107 B G - 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