==== 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 1SDT . 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) . 10126.0 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 . 12 6.1 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 1 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 RESIDUES PER ALPHA HELIX . 0 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 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 84 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.7 38.9 -0.1 5.2 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.975 360.0-162.2-104.2 122.3 36.6 0.1 2.3 3 3 A I E -A 197 0A 35 194,-3.4 194,-2.6 -2,-0.5 2,-0.1 -0.922 4.2-149.9-112.1 122.6 33.0 1.0 3.4 4 4 A T - 0 0 69 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.297 14.0-131.0 -79.1 170.9 30.1 0.3 1.1 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.141 72.8 110.3-118.9 19.2 27.0 2.4 1.1 6 6 A W S S+ 0 0 189 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.820 94.0 18.1 -63.5 -31.9 24.2 -0.2 1.2 7 7 A K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.838 112.2 -66.7-128.9 168.4 23.6 1.0 4.7 8 8 A R - 0 0 114 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.330 52.1-119.1 -54.3 132.1 24.5 4.2 6.6 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.473 48.4 170.1 -81.5 81.6 28.3 4.4 7.0 10 10 A L E +D 23 0B 70 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.717 5.7 173.1 -93.6 136.3 28.4 4.4 10.8 11 11 A V E -D 22 0B 18 11,-2.6 11,-2.9 -2,-0.3 2,-0.4 -0.909 34.7-101.0-136.0 164.4 31.6 4.0 12.8 12 12 A T E -D 21 0B 90 -2,-0.3 55,-2.8 9,-0.2 2,-0.3 -0.715 38.6-173.5 -86.8 136.9 32.7 4.2 16.4 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.2 -2,-0.4 2,-0.5 -0.909 18.9-142.8-122.2 158.3 34.5 7.3 17.5 14 14 A K E +DE 19 65B 107 51,-2.3 51,-2.2 -2,-0.3 2,-0.3 -0.993 32.1 158.5-120.7 123.9 36.2 8.3 20.7 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.3 -2,-0.5 49,-0.1 -0.989 65.0 -3.5-146.8 133.0 35.7 12.0 21.7 16 16 A G T 3 S- 0 0 46 47,-0.5 21,-0.1 -2,-0.3 3,-0.1 0.807 129.3 -56.9 56.6 31.4 36.1 13.6 25.1 17 17 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.537 117.5 111.0 80.2 3.4 36.7 10.3 26.7 18 18 A Q E < -D 15 0B 76 -3,-2.3 -3,-2.5 2,-0.0 2,-0.4 -0.859 63.6-133.1-114.9 144.5 33.4 8.9 25.4 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.833 33.6 167.7 -92.8 134.9 32.5 6.3 22.7 20 20 A K E -D 13 0B 31 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.4 -0.962 36.0-118.9-139.8 158.0 29.9 7.3 20.3 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.859 40.3 178.8 -92.3 132.4 28.5 6.1 16.9 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.5 -0.973 27.5-118.3-141.6 156.9 28.9 8.6 14.1 23 23 A L E -Df 10 84B 7 60,-2.9 62,-3.0 -2,-0.3 2,-0.8 -0.784 19.7-133.2 -95.9 126.7 28.1 8.9 10.4 24 24 A L E - f 0 85B 2 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.723 36.5-174.7 -79.1 107.6 30.9 9.4 7.8 25 25 A D > - 0 0 15 60,-2.7 3,-1.6 -2,-0.8 62,-0.3 -0.833 27.5-179.8-123.8 96.3 29.3 12.2 5.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.701 86.7 59.2 -67.5 -20.4 30.9 13.6 2.7 27 27 A G T 3 S+ 0 0 16 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.566 87.8 89.9 -80.9 -11.4 28.1 16.1 2.4 28 28 A A < - 0 0 17 -3,-1.6 59,-3.0 57,-0.2 60,-0.2 -0.765 56.2-166.0 -91.5 123.6 28.8 17.7 5.7 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.850 77.1 36.4 -69.5 -33.5 31.3 20.6 5.8 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.744 82.4-113.0-121.8 160.0 31.5 20.3 9.6 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.3 2,-0.4 -0.858 33.9-171.7 -97.3 127.7 31.6 17.7 12.3 32 32 A V E -gH 76 84B 6 52,-1.7 52,-3.1 -2,-0.5 2,-0.3 -0.991 3.0-173.2-133.6 121.4 28.5 17.8 14.6 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 3,-0.2 -0.891 29.0-105.7-117.2 144.0 28.0 15.8 17.8 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.111 68.7 -52.3 -59.3 163.9 25.1 15.5 20.1 35 35 A E S S+ 0 0 112 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.144 80.9 132.8 -53.5 128.5 25.1 17.3 23.5 36 36 A M - 0 0 14 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.948 55.5 -94.5-162.7 161.7 28.3 16.5 25.5 37 37 A S + 0 0 101 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.686 38.7 178.1 -83.8 139.6 30.9 18.4 27.4 38 38 A L - 0 0 18 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.968 27.6-110.0-135.2 150.8 34.2 19.4 25.8 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.409 70.3 26.2 -78.0 160.3 37.1 21.4 27.2 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.174 95.4 -33.4 88.3-172.6 38.2 24.9 26.3 41 41 A R - 0 0 223 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.331 54.7-171.3 -80.3 160.2 36.5 27.9 24.9 42 42 A W E -I 59 0B 119 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.970 10.6-157.8-145.9 162.3 33.6 27.9 22.5 43 43 A K E -I 58 0B 116 15,-1.4 15,-2.9 -2,-0.3 2,-0.1 -0.981 30.8-100.4-140.9 150.7 31.6 30.3 20.4 44 44 A P E +I 57 0B 79 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.344 38.4 179.0 -75.2 153.9 28.1 30.0 19.0 45 45 A K E -I 56 0B 72 11,-2.2 11,-2.8 -2,-0.1 2,-0.5 -0.992 23.2-140.2-147.0 147.4 27.4 29.0 15.4 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.960 23.7-172.2-107.2 130.6 24.3 28.5 13.2 47 47 A I E -I 54 0B 18 7,-2.4 7,-2.5 -2,-0.5 2,-0.5 -0.954 14.9-133.0-126.3 145.3 24.6 25.6 10.8 48 48 A G E +I 53 0B 51 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.855 22.8 175.6-110.0 128.3 22.1 24.7 8.0 49 49 A G E > -I 52 0B 18 3,-3.1 3,-0.8 -2,-0.5 102,-0.1 -0.444 54.0 -83.3-108.0-177.9 20.7 21.3 7.2 50 50 A I T 3 S+ 0 0 38 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.810 130.7 45.3 -61.2 -27.5 18.1 20.2 4.7 51 51 A G T 3 S- 0 0 24 99,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.453 125.1 -81.3-101.0 2.8 15.4 21.1 7.2 52 52 A G E < -I 49 0B 28 -3,-0.8 -3,-3.1 98,-0.6 -1,-0.3 -0.869 63.7 -40.1 132.8-163.5 16.8 24.5 8.3 53 53 A F E -I 48 0B 143 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.739 40.2-165.7-103.0 146.7 19.4 25.8 10.8 54 54 A I E -I 47 0B 21 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.930 23.4-118.3-125.8 152.9 20.3 24.8 14.3 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.785 39.1 171.2 -90.8 130.0 22.4 26.5 16.9 56 56 A V E -I 45 0B 4 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.5 -0.859 34.3-115.0-130.6 165.8 25.6 24.8 18.1 57 57 A R E -IJ 44 77B 52 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.919 28.6-143.3-100.4 130.8 28.6 25.4 20.2 58 58 A Q E -IJ 43 76B 31 -15,-2.9 -15,-1.4 -2,-0.5 2,-0.4 -0.861 18.1-177.2-100.7 118.1 31.9 25.5 18.3 59 59 A Y E -IJ 42 75B 12 16,-2.5 16,-2.6 -2,-0.6 3,-0.3 -0.934 13.1-150.1-112.5 133.4 35.0 24.0 20.0 60 60 A D E + 0 0 73 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.671 67.1 22.7-105.3 160.3 38.4 24.1 18.3 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.891 76.6 162.1 57.9 47.6 41.4 21.8 18.5 62 62 A I E - J 0 73B 13 11,-2.7 11,-2.0 -3,-0.3 2,-0.3 -0.855 33.4-135.7-100.2 131.2 39.5 18.8 19.6 63 63 A I E + J 0 72B 84 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.665 26.9 176.5 -86.3 136.3 41.0 15.4 19.3 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.979 24.2-146.6-136.0 144.8 38.9 12.6 17.9 65 65 A E E -EJ 14 70B 99 -51,-2.2 -51,-2.3 -2,-0.3 2,-0.6 -0.990 18.7-167.0-112.7 121.9 39.6 8.9 17.1 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.2 -2,-0.5 -53,-0.2 -0.962 70.6 -29.9-116.6 109.4 37.5 7.8 14.1 67 67 A A T 3 S- 0 0 43 -55,-2.8 -1,-0.2 -2,-0.6 -54,-0.1 0.867 129.6 -44.3 47.1 40.1 37.4 4.1 13.5 68 68 A G T 3 S+ 0 0 56 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.397 116.8 113.3 92.4 -8.4 40.9 3.9 14.9 69 69 A H E < - J 0 66B 69 -3,-2.2 -3,-2.8 2,-0.0 2,-0.2 -0.905 59.4-137.0-106.3 127.2 42.3 6.9 13.1 70 70 A K E + J 0 65B 139 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.527 30.7 160.9 -85.5 143.7 43.3 10.0 15.1 71 71 A A E - J 0 64B 6 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.4 -0.968 24.2-147.4-149.7 160.5 42.5 13.5 13.9 72 72 A I E + J 0 63B 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 39.4 104.9-129.3 143.7 42.2 17.0 15.4 73 73 A G E - 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