==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-FEB-04 1SDU . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.MAHALINGAM,Y.-F.WANG,P.I.BOROSS,J.TOZSER,J.M.LOUIS, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 1 3 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 . 0 0 1 0 0 0 2 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 P 0 0 93 0, 0.0 198,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.5 13.9 14.1 29.6 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.987 360.0-163.5-121.0 133.4 17.4 14.3 28.2 3 3 A I E -A 197 0A 35 194,-2.9 194,-2.5 -2,-0.4 2,-0.1 -0.986 7.9-150.5-123.0 119.3 18.1 15.2 24.6 4 4 A T - 0 0 66 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.271 15.6-129.6 -79.5 170.6 21.5 14.5 23.0 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.163 74.6 108.4-115.7 17.1 22.8 16.6 20.2 6 6 A W S S+ 0 0 194 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.833 94.6 17.7 -59.8 -32.7 23.9 14.0 17.6 7 7 A K S S- 0 0 165 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.832 113.2 -65.2-129.5 167.3 20.9 15.2 15.5 8 8 A R - 0 0 110 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.332 52.9-118.6 -53.7 132.0 18.8 18.3 15.6 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.514 47.6 172.5 -82.8 81.0 16.9 18.4 18.9 10 10 A L E +D 23 0B 86 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.723 6.2 173.8 -91.8 138.3 13.4 18.4 17.5 11 11 A V E -D 22 0B 15 11,-2.7 11,-2.7 -2,-0.4 2,-0.4 -0.900 35.5 -98.4-134.6 164.8 10.3 18.0 19.7 12 12 A T E -D 21 0B 68 -2,-0.3 55,-2.8 9,-0.2 56,-0.3 -0.711 40.1-173.9 -84.7 136.0 6.5 18.2 19.2 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.860 17.4-145.5-122.3 158.4 4.8 21.4 20.0 14 14 A K E +DE 19 65B 77 51,-2.1 51,-2.4 -2,-0.3 2,-0.3 -0.996 30.5 155.7-123.4 125.2 1.1 22.5 20.1 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.0 -2,-0.4 49,-0.1 -0.985 64.7 -0.8-150.0 134.4 0.3 26.0 19.1 16 16 A G T 3 S- 0 0 53 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.792 129.8 -56.2 61.4 22.8 -2.9 27.6 17.8 17 17 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.551 117.0 108.2 83.3 10.6 -4.6 24.2 17.9 18 18 A Q E < -D 15 0B 94 -3,-2.0 -3,-2.4 2,-0.0 2,-0.4 -0.929 63.4-134.2-124.6 142.4 -2.0 22.6 15.6 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.801 35.0 166.2 -93.6 136.4 0.8 20.1 16.3 20 20 A K E -D 13 0B 39 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.921 37.0-113.2-142.8 161.6 4.2 20.9 14.8 21 21 A E E +D 12 0B 101 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.871 40.3 178.9 -96.2 136.9 7.8 19.8 15.0 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.977 27.0-117.5-144.4 154.8 10.2 22.4 16.4 23 23 A L E -Df 10 84B 5 60,-3.0 62,-2.9 -2,-0.3 2,-0.8 -0.775 19.6-134.4 -94.0 125.5 13.9 22.9 17.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.728 34.0-173.7 -78.4 112.3 15.0 23.5 20.9 25 25 A D > - 0 0 16 60,-2.8 3,-1.7 -2,-0.8 62,-0.3 -0.849 26.9-179.1-125.0 98.9 17.5 26.3 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.668 86.9 60.4 -69.0 -17.4 19.7 27.7 23.0 27 27 A G T 3 S+ 0 0 16 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.564 87.7 88.3 -82.8 -12.0 21.2 30.2 20.5 28 28 A A < - 0 0 16 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.801 56.4-165.7 -94.1 124.2 17.8 31.8 19.8 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.844 77.5 33.5 -67.0 -36.1 16.7 34.7 22.0 30 30 A D S S- 0 0 59 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.686 83.6-109.2-120.8 166.1 13.2 34.4 20.6 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.5 -0.900 31.1-171.9-102.2 126.3 10.7 31.8 19.4 32 32 A V E -gH 76 84B 9 52,-1.7 52,-3.1 -2,-0.5 2,-0.4 -0.986 0.8-169.3-127.3 119.0 10.0 31.8 15.6 33 33 A I E -g 77 0B 0 43,-3.2 45,-2.1 -2,-0.5 3,-0.2 -0.870 31.3-100.0-111.8 142.4 7.2 29.7 14.1 34 34 A E E -g 78 0B 67 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.218 65.0 -63.6 -56.6 148.6 6.6 29.1 10.4 35 35 A E S S+ 0 0 105 43,-0.9 2,-0.3 45,-0.1 -1,-0.2 -0.003 72.6 154.4 -40.8 121.6 3.9 31.1 8.8 36 36 A M - 0 0 15 -3,-0.2 2,-1.7 2,-0.1 -3,-0.1 -0.959 52.0-107.2-152.6 154.3 0.5 30.2 10.3 37 37 A S + 0 0 120 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.472 45.9 175.0 -91.1 71.2 -2.7 32.1 10.7 38 38 A L - 0 0 15 -2,-1.7 2,-0.1 1,-0.1 -2,-0.1 -0.497 28.4-117.4 -74.5 139.9 -2.7 32.9 14.4 39 39 A P + 0 0 107 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.377 62.2 21.9 -81.5 161.3 -5.6 35.1 15.6 40 40 A G S S- 0 0 58 -2,-0.1 2,-0.1 19,-0.0 -2,-0.0 -0.251 92.2 -17.2 89.6-167.0 -5.6 38.5 17.1 41 41 A R + 0 0 218 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.325 54.5 173.6 -77.7 152.1 -3.3 41.5 17.3 42 42 A W - 0 0 117 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.929 22.4-133.8-146.5 169.9 0.4 41.5 16.5 43 43 A K E -I 58 0B 139 15,-1.8 15,-2.9 -2,-0.3 2,-0.1 -0.989 29.4-109.8-128.0 137.6 3.2 44.0 16.1 44 44 A P E +I 57 0B 102 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.386 44.1 169.5 -64.9 144.0 5.7 44.1 13.3 45 45 A K E -I 56 0B 73 11,-2.1 11,-2.6 -2,-0.1 2,-0.4 -0.981 26.5-144.7-145.9 157.1 9.3 43.1 14.2 46 46 A M E -I 55 0B 108 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 18.6-167.0-123.9 138.0 12.6 42.3 12.5 47 47 A I E -I 54 0B 17 7,-2.2 7,-2.4 -2,-0.4 2,-0.5 -0.950 12.6-133.0-128.0 145.9 14.9 39.7 13.8 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.836 24.2 170.7-108.2 127.8 18.4 38.9 12.9 49 49 A G E > -I 52 0B 21 3,-2.8 3,-0.8 -2,-0.5 102,-0.1 -0.457 57.5 -72.7-112.1-166.1 20.0 35.6 12.2 50 50 A I T 3 S+ 0 0 39 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.784 131.4 40.6 -64.1 -26.3 23.4 34.6 10.9 51 51 A G T 3 S- 0 0 28 99,-2.4 2,-0.3 1,-0.3 100,-0.2 0.487 123.4 -79.5-103.5 -1.3 22.5 35.8 7.3 52 52 A G E < -I 49 0B 27 -3,-0.8 -3,-2.8 98,-0.7 -1,-0.3 -0.923 64.5 -37.6 132.9-163.9 20.7 39.0 8.1 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.726 39.5-166.4-103.7 151.8 17.2 40.1 9.2 54 54 A I E -I 47 0B 27 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.914 26.0-113.2-128.8 157.7 13.7 38.9 8.4 55 55 A K E +I 46 0B 158 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.752 41.3 169.6 -90.1 131.5 10.3 40.4 9.0 56 56 A V E -I 45 0B 8 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.5 -0.914 35.3-116.5-136.8 165.1 8.0 38.7 11.4 57 57 A R E -IJ 44 77B 48 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.909 28.2-143.2-103.0 124.8 4.7 39.3 13.3 58 58 A Q E -IJ 43 76B 39 -15,-2.9 -15,-1.8 -2,-0.5 2,-0.5 -0.825 17.8-173.9 -95.0 119.8 5.1 39.4 17.1 59 59 A Y E - J 0 75B 7 16,-2.7 16,-2.5 -2,-0.6 3,-0.3 -0.951 12.2-145.8-110.9 132.7 2.2 37.9 19.0 60 60 A D E + 0 0 88 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.643 69.0 12.9-101.5 154.3 2.1 38.2 22.8 61 61 A Q E S+ 0 0 134 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.895 77.4 168.7 52.6 49.3 0.8 35.8 25.4 62 62 A I E - J 0 73B 26 11,-2.8 11,-2.3 -3,-0.3 2,-0.4 -0.798 31.5-131.7 -92.3 128.4 0.6 32.8 23.1 63 63 A I E + J 0 72B 102 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.649 33.2 170.0 -81.4 132.2 0.0 29.5 24.7 64 64 A I E -EJ 15 71B 0 7,-2.4 7,-1.6 -2,-0.4 2,-0.5 -0.982 26.5-145.7-146.9 132.9 2.3 26.8 23.5 65 65 A E E -EJ 14 70B 63 -51,-2.4 -51,-2.1 -2,-0.4 2,-0.5 -0.867 15.3-165.0-100.4 129.8 2.9 23.2 24.7 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.3 -2,-0.5 -53,-0.2 -0.963 71.9 -28.4-122.0 107.9 6.5 22.1 24.2 67 67 A A T 3 S- 0 0 40 -55,-2.8 -1,-0.1 -2,-0.5 -54,-0.1 0.885 129.2 -45.8 51.7 41.5 7.1 18.3 24.6 68 68 A G T 3 S+ 0 0 53 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.461 117.0 114.8 84.6 -0.6 4.2 18.1 26.9 69 69 A H E < - J 0 66B 70 -3,-2.3 -3,-3.0 0, 0.0 -1,-0.2 -0.914 61.9-132.8-107.2 122.6 5.1 21.2 29.0 70 70 A K E + J 0 65B 149 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.455 31.6 167.2 -72.0 145.6 2.8 24.2 28.9 71 71 A A E - 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