==== 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 04-JUN-07 2Q63 . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.REZACOVA,M.KOZISEK,K.SASKOVA,J.BRYNDA,J.KONVALINKA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 72 36.4 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 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 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 92 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 123.1 8.8 62.7 2.3 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.0 196,-0.2 -0.949 360.0-160.5-107.4 131.7 8.1 60.4 5.2 3 3 A I E -A 197 0A 37 194,-3.4 194,-2.7 -2,-0.5 2,-0.1 -0.965 1.8-156.0-118.1 116.4 4.7 60.8 6.6 4 4 A T - 0 0 74 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.393 19.2-129.0 -79.3 172.0 3.9 59.5 10.2 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.062 76.2 107.6-121.6 23.2 0.3 58.7 11.0 6 6 A W S S+ 0 0 175 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.788 93.0 29.0 -69.2 -30.7 -0.3 60.6 14.3 7 7 A Q S S- 0 0 155 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.839 111.9 -76.6-118.2 165.5 -2.4 63.0 12.2 8 8 A R - 0 0 107 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.349 47.0-118.1 -55.7 137.1 -4.4 62.4 9.0 9 9 A P + 0 0 2 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.538 49.4 170.3 -81.9 74.0 -2.0 62.2 6.0 10 10 A L E -D 23 0B 79 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.664 7.8-179.2 -87.9 135.3 -3.5 65.2 4.2 11 11 A V E -D 22 0B 10 11,-3.2 11,-2.9 -2,-0.3 2,-0.4 -0.939 29.8-107.6-133.1 158.3 -1.7 66.5 1.1 12 12 A T E -D 21 0B 84 -2,-0.3 55,-2.4 9,-0.2 56,-0.3 -0.692 37.3-171.2 -85.7 131.0 -2.3 69.3 -1.3 13 13 A I E -DE 20 66B 1 7,-3.6 7,-2.5 -2,-0.4 2,-0.4 -0.849 17.5-151.3-118.9 156.3 -3.5 68.4 -4.8 14 14 A K E +DE 19 65B 103 51,-2.2 51,-2.6 -2,-0.3 2,-0.3 -0.993 28.9 156.1-125.3 125.3 -4.0 70.3 -8.0 15 15 A I E > -DE 18 64B 3 3,-2.3 3,-1.9 -2,-0.4 49,-0.1 -0.984 65.9 -0.3-152.4 132.9 -6.6 69.0 -10.3 16 16 A G T 3 S- 0 0 50 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.790 128.7 -58.4 53.2 33.4 -8.6 70.8 -13.0 17 17 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.411 116.2 112.7 81.4 -0.2 -6.8 74.1 -12.3 18 18 A Q E < -D 15 0B 85 -3,-1.9 -3,-2.3 2,-0.0 2,-0.5 -0.800 62.7-133.4-110.9 147.6 -8.0 73.9 -8.7 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.826 34.3 162.5 -99.0 131.3 -6.2 73.4 -5.4 20 20 A K E -D 13 0B 39 -7,-2.5 -7,-3.6 -2,-0.5 2,-0.4 -0.922 36.3-120.9-138.9 164.2 -7.6 70.9 -2.9 21 21 A E E -D 12 0B 115 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.899 34.7-178.6-105.7 139.8 -6.6 69.0 0.2 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-3.2 -2,-0.4 2,-0.5 -0.943 25.6-119.0-139.9 154.8 -6.8 65.2 -0.0 23 23 A L E -Df 10 84B 5 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.855 21.8-129.9-100.0 127.6 -6.2 62.2 2.2 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.688 35.1-171.0 -75.2 115.8 -3.6 59.6 1.3 25 25 A D > + 0 0 15 60,-2.7 3,-1.8 -2,-0.7 62,-0.3 -0.823 28.2 177.9-127.3 94.4 -5.7 56.5 1.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.759 86.8 61.1 -62.2 -24.8 -4.1 53.0 1.6 27 27 A G T 3 S+ 0 0 20 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.403 90.3 84.8 -84.2 3.8 -7.5 51.5 2.4 28 28 A A < - 0 0 16 -3,-1.8 59,-2.7 57,-0.2 60,-0.2 -0.930 55.2-167.5-111.3 121.1 -9.1 52.9 -0.8 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.826 78.8 42.0 -66.2 -31.7 -8.8 51.1 -4.1 30 30 A N S S- 0 0 56 57,-0.1 2,-0.5 56,-0.1 57,-0.1 -0.689 81.7-116.0-119.7 163.7 -10.0 54.3 -5.9 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.876 33.3-171.6-100.8 128.3 -9.6 58.1 -5.8 32 32 A V E -gH 76 84B 6 52,-2.0 52,-3.1 -2,-0.5 2,-0.3 -0.972 4.3-176.1-131.3 121.1 -12.8 60.0 -4.8 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.6 -2,-0.5 3,-0.2 -0.874 30.2-106.7-114.5 148.9 -13.2 63.7 -4.9 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.096 69.8 -50.3 -55.2 167.5 -16.1 65.9 -3.8 35 35 A E S S+ 0 0 121 45,-0.1 2,-0.3 42,-0.1 -1,-0.2 -0.178 76.3 144.7 -50.4 122.5 -18.2 67.5 -6.6 36 36 A M - 0 0 10 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.971 49.4-107.7-155.4 154.4 -16.3 69.2 -9.2 37 37 A S - 0 0 106 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.704 40.6-176.4 -85.7 132.7 -16.5 69.8 -13.0 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.2 39,-0.0 -0.975 27.1-107.5-132.6 142.4 -14.0 67.8 -15.1 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.416 77.9 41.9 -67.3 151.5 -13.1 67.6 -18.7 40 40 A G S S- 0 0 62 -2,-0.1 2,-0.3 19,-0.1 -2,-0.2 -0.223 90.2 -70.6 96.9 169.1 -14.0 64.5 -20.5 41 41 A R - 0 0 221 -2,-0.1 19,-0.5 19,-0.0 2,-0.2 -0.666 52.0-159.3 -88.7 150.3 -16.9 62.2 -20.8 42 42 A W - 0 0 118 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.744 12.0-134.3-129.0 172.4 -17.7 60.0 -17.8 43 43 A K E -I 58 0B 109 15,-1.3 15,-3.2 -2,-0.2 2,-0.1 -0.980 30.5-106.5-130.7 141.0 -19.5 56.8 -16.8 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.398 42.3 177.4 -64.8 145.3 -21.8 56.2 -13.7 45 45 A K E -I 56 0B 77 11,-1.9 11,-3.2 -2,-0.1 2,-0.5 -0.968 24.7-146.0-152.6 133.6 -20.3 54.0 -10.9 46 46 A M E -I 55 0B 134 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.887 20.4-171.2 -94.0 129.5 -21.4 52.8 -7.5 47 47 A I E -I 54 0B 16 7,-2.1 7,-2.2 -2,-0.5 2,-0.4 -0.975 11.4-142.1-120.8 139.9 -18.7 52.5 -4.8 48 48 A G E +I 53 0B 49 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.819 27.1 156.6-101.3 133.2 -19.0 50.9 -1.4 49 49 A G E > -I 52 0B 30 3,-2.6 3,-0.9 101,-0.5 2,-0.3 -0.458 58.4 -44.9-120.7-157.5 -17.4 52.2 1.8 50 50 A I T 3 S+ 0 0 31 1,-0.2 99,-0.5 -2,-0.2 102,-0.4 -0.572 126.5 15.1 -72.7 135.2 -18.4 51.6 5.4 51 51 A G T 3 S- 0 0 34 128,-0.3 102,-0.4 -2,-0.3 2,-0.3 0.457 126.8 -48.0 81.3 -0.2 -22.1 52.1 6.1 52 52 A G E < -I 49 0B 22 -3,-0.9 -3,-2.6 98,-0.3 2,-0.3 -0.948 68.0 -52.1 145.3-158.9 -23.2 51.9 2.4 53 53 A F E -I 48 0B 152 98,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.864 29.2-160.7-124.7 148.4 -22.8 53.0 -1.2 54 54 A I E -I 47 0B 18 -7,-2.2 -7,-2.1 -2,-0.3 2,-0.4 -0.954 22.3-121.0-125.3 153.0 -22.6 56.3 -3.1 55 55 A A E +I 46 0B 62 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.792 39.4 173.2 -89.5 132.8 -23.1 57.1 -6.8 56 56 A V E -I 45 0B 6 -11,-3.2 -11,-1.9 -2,-0.4 2,-0.5 -0.844 32.7-116.6-132.9 168.3 -20.1 58.7 -8.5 57 57 A R E -IJ 44 77B 47 20,-2.1 20,-2.3 -2,-0.3 2,-0.7 -0.941 27.1-140.4-109.7 127.6 -18.9 59.8 -12.0 58 58 A Q E -IJ 43 76B 41 -15,-3.2 -15,-1.3 -2,-0.5 2,-0.5 -0.813 19.9-178.1 -94.0 116.0 -15.9 57.9 -13.4 59 59 A Y E - J 0 75B 9 16,-2.3 16,-2.8 -2,-0.7 3,-0.3 -0.950 11.3-156.4-108.8 129.1 -13.3 60.1 -15.3 60 60 A D E + 0 0 68 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.637 67.1 19.3-103.1 162.5 -10.3 58.4 -16.8 61 61 A Q E S+ 0 0 154 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.899 80.8 163.3 46.8 53.2 -6.9 59.7 -17.8 62 62 A I E - J 0 73B 13 11,-2.4 11,-1.8 -3,-0.3 2,-0.4 -0.866 36.8-125.4-104.6 132.6 -7.3 62.7 -15.5 63 63 A L E + J 0 72B 97 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.636 32.5 176.2 -81.6 131.8 -4.2 64.7 -14.5 64 64 A I E -EJ 15 71B 0 7,-3.1 7,-2.5 -2,-0.4 2,-0.6 -0.987 22.5-152.1-134.9 140.4 -3.6 65.2 -10.9 65 65 A E E -EJ 14 70B 56 -51,-2.6 -51,-2.2 -2,-0.4 2,-0.6 -0.962 17.6-172.7-113.5 112.7 -0.7 66.8 -9.1 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.3 -2,-0.6 -53,-0.2 -0.943 71.5 -26.9-112.4 117.3 -0.3 65.3 -5.6 67 67 A C T 3 S- 0 0 63 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.864 127.6 -49.4 42.8 44.5 2.3 66.9 -3.3 68 68 A G T 3 S+ 0 0 59 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.534 116.5 113.4 78.7 6.5 4.1 68.2 -6.5 69 69 A H E < - 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