==== 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 12-JUN-02 1M0B . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.PETROKOVA,J.HASEK,J.DOHNALEK . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.2 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 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 2 2 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 88 0, 0.0 198,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.4 -12.5 38.7 2.0 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.813 360.0-159.4-102.3 148.4 -14.3 37.2 -1.0 3 3 A I E -A 197 0A 33 194,-2.0 194,-2.2 -2,-0.3 2,-0.1 -0.967 7.2-154.1-138.2 118.9 -12.3 34.5 -2.8 4 4 A T - 0 0 71 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.409 20.1-131.1 -80.7 168.4 -12.9 33.3 -6.3 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.190 77.0 105.0-111.9 17.7 -11.8 29.8 -7.1 6 6 A W S S+ 0 0 166 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.853 91.4 36.2 -64.1 -33.3 -9.8 30.2 -10.4 7 7 A Q S S- 0 0 155 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.799 111.3 -81.6-114.3 157.5 -6.6 29.7 -8.2 8 8 A R - 0 0 105 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.352 48.3-113.8 -56.5 137.7 -6.2 27.4 -5.1 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.480 53.4 170.2 -78.6 73.2 -7.7 29.2 -2.1 10 10 A L E +D 23 0B 80 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.718 6.7 177.7 -87.7 130.0 -4.3 29.6 -0.3 11 11 A V E -D 22 0B 8 11,-2.7 11,-2.4 -2,-0.4 2,-0.5 -0.827 31.7-106.0-129.5 169.0 -4.0 31.7 2.8 12 12 A T E -D 21 0B 80 -2,-0.3 55,-2.3 9,-0.2 2,-0.4 -0.835 37.1-175.2 -97.7 125.3 -1.4 32.8 5.3 13 13 A I E -DE 20 66B 0 7,-3.4 7,-2.9 -2,-0.5 2,-0.5 -0.908 17.6-152.0-121.0 148.7 -1.7 31.2 8.7 14 14 A K E +DE 19 65B 100 51,-2.0 51,-2.6 -2,-0.4 2,-0.4 -0.990 28.2 159.1-118.9 119.8 0.2 31.8 11.9 15 15 A I E > -DE 18 64B 1 3,-2.1 3,-1.9 -2,-0.5 49,-0.1 -0.991 65.1 -0.2-142.3 136.7 0.4 28.8 14.1 16 16 A G T 3 S- 0 0 42 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.787 127.1 -59.1 53.7 37.5 2.9 28.1 16.9 17 17 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.314 116.8 108.1 77.2 -8.0 4.9 31.3 16.2 18 18 A Q E < -D 15 0B 66 -3,-1.9 -3,-2.1 19,-0.1 2,-0.4 -0.732 65.0-129.4-105.4 153.1 5.5 30.2 12.6 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.841 35.9 157.0-103.0 132.1 4.1 31.5 9.3 20 20 A K E -D 13 0B 57 -7,-2.9 -7,-3.4 -2,-0.4 2,-0.4 -0.929 37.6-119.4-146.0 167.2 2.7 29.1 6.8 21 21 A E E -D 12 0B 114 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.919 32.6-178.0-111.1 139.8 0.3 28.9 3.8 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.5 -0.929 27.0-116.8-135.3 159.1 -2.8 26.6 4.0 23 23 A L E -Df 10 84B 2 60,-3.3 62,-3.0 -2,-0.3 2,-0.9 -0.825 23.7-130.0 -99.8 131.0 -5.6 25.7 1.7 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.5 62,-0.1 -0.732 32.8-169.6 -78.6 110.8 -9.1 26.6 2.8 25 25 A D > + 0 0 0 60,-2.5 3,-2.3 -2,-0.9 62,-0.3 -0.773 24.5 179.3-112.1 93.2 -10.8 23.2 2.3 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.688 87.9 59.2 -61.4 -15.3 -14.6 23.2 2.5 27 27 A G T 3 S+ 0 0 7 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.258 88.0 86.3 -97.1 10.2 -14.3 19.5 1.8 28 28 A A < - 0 0 11 -3,-2.3 59,-2.7 57,-0.2 60,-0.2 -0.959 56.2-164.7-113.0 128.1 -12.1 18.7 4.8 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.866 80.0 40.0 -72.3 -38.1 -13.9 17.9 8.1 30 30 A D S S- 0 0 58 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.569 82.8-116.5-109.8 169.0 -10.6 18.4 9.8 31 31 A T - 0 0 0 43,-0.3 45,-2.6 54,-0.2 2,-0.5 -0.943 32.4-175.3-108.1 120.5 -7.5 20.7 9.7 32 32 A V E -gH 76 84B 7 52,-1.5 52,-3.3 -2,-0.6 2,-0.3 -0.973 1.8-174.3-123.7 119.3 -4.3 18.9 8.7 33 33 A L E -g 77 0B 0 43,-3.2 45,-1.7 -2,-0.5 47,-0.2 -0.841 28.3-108.0-112.0 148.6 -0.9 20.6 8.7 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.163 64.7 -51.2 -68.1 167.3 2.4 19.1 7.5 35 35 A E S S+ 0 0 119 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.075 77.6 155.2 -44.4 122.5 5.1 18.2 9.9 36 36 A M - 0 0 14 -3,-0.2 2,-1.0 2,-0.0 -20,-0.0 -0.990 51.4 -92.7-152.9 160.3 5.9 21.1 12.2 37 37 A S + 0 0 97 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.624 52.7 168.7 -76.2 100.3 7.2 22.1 15.6 38 38 A L - 0 0 21 -2,-1.0 2,-0.2 2,-0.1 -2,-0.0 -0.937 27.8-132.0-119.3 142.6 4.2 22.3 17.9 39 39 A P + 0 0 93 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.626 61.3 34.8 -89.3 148.2 4.1 22.6 21.7 40 40 A G S S- 0 0 65 -2,-0.2 2,-0.1 2,-0.0 -2,-0.1 -0.533 86.1 -47.3 111.6-176.7 2.0 20.4 24.0 41 41 A R - 0 0 123 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.401 50.4-176.2 -91.2 171.1 0.7 16.9 24.3 42 42 A W - 0 0 104 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.992 20.4-132.7-164.4 165.6 -1.0 14.8 21.7 43 43 A K E -I 58 0B 94 15,-1.3 15,-3.4 -2,-0.3 13,-0.0 -0.956 31.2-109.7-127.8 142.7 -2.8 11.6 20.8 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.260 43.3 170.8 -65.4 155.9 -2.2 9.3 17.8 45 45 A K E -I 56 0B 81 11,-1.3 11,-3.1 2,-0.0 2,-0.4 -0.897 29.8-140.8-170.6 137.9 -4.9 9.1 15.1 46 46 A M E -I 55 0B 133 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.881 25.2-177.2-100.5 135.6 -5.6 7.8 11.7 47 47 A I E -I 54 0B 17 7,-2.5 7,-2.2 -2,-0.4 2,-0.3 -0.979 16.3-128.5-132.7 150.3 -7.6 9.9 9.2 48 48 A G E +I 53 0B 63 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.676 26.9 160.5-103.1 150.1 -8.9 9.4 5.7 49 49 A G E > -I 52 0B 10 3,-2.7 3,-0.6 -2,-0.3 102,-0.1 -0.619 60.5 -65.7-139.2-160.9 -8.6 11.3 2.4 50 50 A I T 3 S+ 0 0 6 151,-1.0 101,-0.2 -2,-0.2 103,-0.1 0.905 127.8 40.5 -66.2 -40.5 -9.1 10.4 -1.2 51 51 A G T 3 S- 0 0 21 99,-1.7 2,-0.4 101,-0.4 102,-0.3 0.417 124.2 -76.6 -89.6 4.9 -6.1 7.9 -1.6 52 52 A G E < -I 49 0B 35 98,-0.7 -3,-2.7 -3,-0.6 2,-0.2 -0.980 68.4 -40.3 138.4-152.2 -6.4 6.1 1.7 53 53 A F E -I 48 0B 126 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.695 39.8-163.9-112.5 165.5 -5.5 6.9 5.3 54 54 A I E -I 47 0B 21 -7,-2.2 -7,-2.5 -2,-0.2 2,-0.5 -0.987 23.8-119.1-144.3 151.1 -2.6 8.6 7.0 55 55 A K E +I 46 0B 94 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.802 40.6 166.1 -94.4 124.7 -1.4 8.6 10.6 56 56 A V E -I 45 0B 0 -11,-3.1 -11,-1.3 -2,-0.5 2,-0.5 -0.680 35.0-111.8-124.9-179.0 -1.3 12.1 12.2 57 57 A R E -IJ 44 77B 43 20,-1.8 20,-2.2 -2,-0.2 2,-0.4 -0.980 28.0-132.9-121.0 130.7 -1.0 13.5 15.7 58 58 A Q E -IJ 43 76B 32 -15,-3.4 -15,-1.3 -2,-0.5 2,-0.4 -0.696 22.2-179.0 -89.2 132.7 -4.0 15.2 17.3 59 59 A Y E - J 0 75B 7 16,-2.0 16,-2.5 -2,-0.4 3,-0.4 -0.979 13.9-155.7-128.7 114.5 -3.5 18.6 19.1 60 60 A D E + 0 0 36 -2,-0.4 14,-0.2 14,-0.2 -19,-0.1 -0.470 66.7 14.8 -92.1 164.1 -6.5 20.2 20.7 61 61 A Q E S+ 0 0 150 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.838 79.2 164.4 40.8 50.8 -7.2 23.8 21.5 62 62 A I E - J 0 73B 21 11,-2.4 11,-2.0 -3,-0.4 2,-0.3 -0.756 36.7-123.2 -93.5 139.5 -4.3 25.1 19.4 63 63 A L E + J 0 72B 98 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.628 34.5 177.4 -82.8 140.0 -4.3 28.8 18.5 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-1.6 -2,-0.3 2,-0.6 -1.000 22.8-150.0-145.5 140.7 -4.3 29.7 14.8 65 65 A E E -EJ 14 70B 50 -51,-2.6 -51,-2.0 -2,-0.3 2,-0.6 -0.937 15.6-177.3-115.3 111.0 -4.4 32.9 12.8 66 66 A I E > S-EJ 13 69B 0 3,-2.5 3,-2.4 -2,-0.6 -53,-0.2 -0.934 75.6 -28.2-109.0 113.2 -6.0 32.6 9.4 67 67 A C T 3 S- 0 0 57 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.863 125.6 -50.2 48.5 40.5 -5.9 35.9 7.4 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.220 113.8 117.8 87.0 -17.1 -5.9 37.9 10.7 69 69 A H E < - 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