==== 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 16-OCT-07 2RKG . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.REZACOVA,J.BRYNDA,M.KOZISEK,K.SASKOVA,J.KONVALINKA . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 67.5 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 . 75 37.5 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 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.5 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 . 3 0 5 0 0 3 1 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 91 0, 0.0 200,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.8 -12.7 39.0 2.0 2 2 A Q E -A 200 0A 130 198,-0.2 2,-0.4 196,-0.0 198,-0.2 -0.967 360.0-161.6-108.6 133.5 -14.5 37.3 -0.8 3 3 A I E -A 199 0A 37 196,-3.1 196,-2.3 -2,-0.5 2,-0.1 -0.966 6.3-149.6-120.5 121.4 -12.2 34.7 -2.6 4 4 A T E -A 198 0A 84 -2,-0.4 3,-0.3 194,-0.2 194,-0.1 -0.431 17.3-130.0 -83.9 172.5 -12.8 33.3 -6.1 5 5 A L S S+ 0 0 1 192,-0.5 188,-0.2 1,-0.2 187,-0.1 0.046 73.1 110.5-119.0 25.1 -11.6 29.8 -7.0 6 6 A W S S+ 0 0 185 187,-0.1 2,-0.3 186,-0.1 -1,-0.2 0.776 91.2 32.9 -66.9 -23.7 -9.7 30.1 -10.3 7 7 A Q S S- 0 0 160 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.864 110.3 -78.5-124.8 161.7 -6.6 29.3 -8.1 8 8 A R - 0 0 132 -2,-0.3 2,-2.0 1,-0.1 120,-0.1 -0.409 49.5-117.8 -60.2 132.8 -6.2 27.2 -5.0 9 9 A P + 0 0 5 0, 0.0 15,-3.0 0, 0.0 2,-0.3 -0.479 48.4 167.1 -79.7 72.3 -7.5 29.1 -2.0 10 10 A F E -D 23 0B 62 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.658 9.8-179.3 -83.8 142.0 -4.3 29.4 0.1 11 11 A V E -D 22 0B 12 11,-2.2 11,-2.4 -2,-0.3 2,-0.4 -0.941 30.9-107.7-133.6 160.6 -4.0 31.8 3.1 12 12 A T E -D 21 0B 83 -2,-0.3 56,-1.9 9,-0.2 2,-0.3 -0.696 38.5-176.7 -90.4 136.1 -1.2 32.6 5.5 13 13 A V E -DE 20 67B 1 7,-2.9 7,-2.1 -2,-0.4 2,-0.5 -0.954 18.1-148.8-131.2 152.2 -1.6 31.2 9.0 14 14 A K E +DE 19 66B 98 52,-2.1 52,-2.3 -2,-0.3 2,-0.4 -0.990 22.0 169.5-124.5 123.8 0.5 31.6 12.1 15 15 A I E > -DE 18 65B 1 3,-2.5 3,-2.1 -2,-0.5 50,-0.1 -0.994 68.5 -11.6-139.6 122.0 0.5 28.7 14.6 16 16 A A T 3 S- 0 0 58 48,-0.5 -1,-0.1 -2,-0.4 22,-0.1 0.893 128.5 -53.7 54.5 48.8 2.9 28.3 17.6 17 17 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.362 116.0 115.0 70.5 -0.9 5.1 31.2 16.3 18 18 A Q E < -D 15 0B 60 -3,-2.1 -3,-2.5 20,-0.1 2,-0.3 -0.821 55.8-142.8-106.0 141.8 5.5 29.5 12.9 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.776 31.3 146.1-101.8 144.7 4.2 30.9 9.6 20 20 A M E -D 13 0B 27 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.4 -0.960 42.8-112.0-161.0 168.3 2.9 28.7 6.7 21 21 A E E -D 12 0B 117 -2,-0.3 63,-0.4 -9,-0.2 2,-0.3 -0.894 33.7-174.0-107.7 146.6 0.3 28.7 4.0 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.4 -0.986 26.1-111.5-141.8 149.7 -2.7 26.4 4.2 23 23 A L E -Df 10 85B 13 61,-2.9 63,-3.4 -2,-0.3 2,-0.8 -0.664 22.1-131.8 -83.3 127.2 -5.5 25.5 1.9 24 24 A L E - f 0 86B 0 -15,-3.0 2,-0.6 -2,-0.4 63,-0.1 -0.716 37.5-174.4 -73.9 111.5 -9.1 26.7 2.8 25 25 A D > - 0 0 14 61,-2.6 3,-1.6 -2,-0.8 63,-0.3 -0.871 30.2-179.1-127.8 101.9 -10.8 23.3 2.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 100,-0.1 0.680 87.5 63.4 -70.5 -17.5 -14.6 22.9 2.5 27 27 A G T 3 S+ 0 0 22 82,-0.1 2,-0.5 97,-0.1 -1,-0.3 0.429 88.9 85.4 -85.5 1.7 -14.1 19.2 1.7 28 28 A A < - 0 0 16 -3,-1.6 60,-3.0 58,-0.2 61,-0.2 -0.905 55.3-167.7-108.3 128.1 -12.1 18.7 4.9 29 29 A D S S+ 0 0 52 -2,-0.5 60,-1.2 58,-0.2 2,-0.2 0.834 78.7 33.3 -72.5 -34.0 -13.8 17.9 8.2 30 30 A D S S- 0 0 64 58,-0.2 2,-0.4 57,-0.1 58,-0.2 -0.732 82.7-111.4-126.7 164.4 -10.6 18.5 10.1 31 31 A T - 0 0 0 44,-0.5 46,-2.6 -2,-0.2 2,-0.4 -0.836 33.4-173.7-103.9 132.2 -7.5 20.7 9.9 32 32 A I E -gH 77 85B 6 53,-2.0 53,-3.3 -2,-0.4 2,-0.3 -0.997 6.5-162.9-133.5 133.5 -4.2 19.0 9.1 33 33 A L E -g 78 0B 0 44,-2.9 46,-2.1 -2,-0.4 48,-0.3 -0.837 33.6 -85.2-112.7 153.3 -0.6 20.3 9.0 34 34 A E > - 0 0 70 -2,-0.3 3,-2.3 44,-0.2 -1,-0.1 0.029 40.6-104.4 -58.3 158.9 2.5 19.0 7.4 35 35 A E T 3 S+ 0 0 104 46,-0.4 -1,-0.1 1,-0.3 43,-0.0 0.743 117.0 58.7 -56.4 -33.0 4.9 16.4 9.1 36 36 A E T 3 S+ 0 0 156 43,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.439 76.9 116.8 -81.7 -1.2 7.5 19.0 9.9 37 37 A M < - 0 0 20 -3,-2.3 2,-0.7 42,-0.1 -4,-0.1 -0.542 56.5-149.6 -69.8 126.8 5.1 21.1 12.0 38 38 A S + 0 0 79 -2,-0.3 -20,-0.1 -22,-0.1 -2,-0.1 -0.870 20.9 172.5-106.6 108.7 6.2 21.1 15.6 39 39 A L - 0 0 14 -2,-0.7 2,-0.1 2,-0.1 39,-0.0 -0.940 26.3-128.8-110.6 137.3 3.5 21.4 18.2 40 40 A P + 0 0 103 0, 0.0 2,-0.0 0, 0.0 -24,-0.0 -0.376 59.7 19.6 -81.7 160.6 4.4 21.1 21.9 41 41 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.0 2,-0.0 -0.189 95.2 -17.8 87.2-171.6 2.7 18.8 24.5 42 42 A R - 0 0 195 1,-0.0 19,-0.3 -2,-0.0 2,-0.3 -0.252 54.2-179.4 -75.3 156.5 0.6 15.7 24.5 43 43 A W - 0 0 95 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.911 20.8-126.8-146.6 168.0 -1.3 14.4 21.5 44 44 A T E -I 59 0B 40 15,-2.0 15,-2.6 -2,-0.3 2,-0.1 -0.973 29.9-107.8-125.5 139.5 -3.6 11.5 20.7 45 45 A P E +I 58 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.400 44.7 166.6 -66.8 139.4 -3.3 9.0 17.9 46 46 A K E -I 57 0B 75 11,-2.0 11,-3.1 -2,-0.1 2,-0.4 -0.960 27.1-140.4-144.4 158.1 -5.8 9.3 15.0 47 47 A V E -I 56 0B 78 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 14.9-160.1-122.8 133.5 -6.1 8.0 11.5 48 48 A V E -I 55 0B 26 7,-2.8 7,-2.6 -2,-0.4 2,-0.5 -0.928 3.2-153.9-112.6 137.0 -7.3 10.1 8.6 49 49 A G E +I 54 0B 63 -2,-0.4 5,-0.3 5,-0.3 104,-0.1 -0.938 25.1 151.4-114.1 122.5 -8.7 8.8 5.3 50 50 A G - 0 0 24 3,-2.3 3,-0.5 102,-0.6 2,-0.4 -0.302 59.6 -47.6-116.3-154.2 -8.6 10.7 2.1 51 51 A I S S+ 0 0 25 1,-0.2 103,-0.9 -2,-0.1 100,-0.7 -0.732 129.6 31.8 -78.2 129.4 -8.4 9.8 -1.6 52 52 A G B S-K 153 0C 36 -2,-0.4 2,-0.3 129,-0.2 103,-0.3 -0.095 125.0 -75.2 110.1 -35.9 -5.7 7.2 -1.9 53 53 A G - 0 0 33 99,-0.8 -3,-2.3 -3,-0.5 2,-0.3 -0.999 67.0 -40.6 147.0-143.4 -6.2 5.6 1.5 54 54 A F E -I 49 0B 146 -2,-0.3 2,-0.3 99,-0.3 -5,-0.3 -0.824 36.9-163.8-124.0 158.4 -5.4 6.4 5.2 55 55 A M E -I 48 0B 17 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.2 -0.998 24.5-116.5-142.9 146.1 -2.6 7.9 7.2 56 56 A K E +I 47 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.562 40.6 175.5 -77.4 136.9 -1.6 8.0 10.9 57 57 A V E -I 46 0B 8 -11,-3.1 -11,-2.0 -2,-0.2 2,-0.5 -0.866 31.7-115.9-136.2 169.8 -1.7 11.5 12.4 58 58 A R E -IJ 45 78B 103 20,-2.4 20,-2.1 -2,-0.3 2,-0.6 -0.940 26.3-145.1-107.5 128.4 -1.2 13.2 15.8 59 59 A Q E -IJ 44 77B 47 -15,-2.6 -15,-2.0 -2,-0.5 2,-0.5 -0.874 14.8-171.5-100.7 120.5 -4.2 15.0 17.2 60 60 A Y E - J 0 76B 7 16,-2.8 16,-2.7 -2,-0.6 3,-0.4 -0.941 11.4-149.2-109.0 127.9 -3.5 18.2 19.2 61 61 A D E + 0 0 80 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.586 68.4 14.6 -93.5 158.3 -6.4 19.8 21.1 62 62 A Q E S+ 0 0 165 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.844 76.9 168.3 50.4 49.1 -6.9 23.5 21.8 63 63 A I E - J 0 74B 25 11,-2.6 11,-2.1 -3,-0.4 2,-0.5 -0.803 33.8-128.8 -93.3 130.9 -4.3 24.9 19.4 64 64 A L E - J 0 73B 88 -2,-0.5 -48,-0.5 9,-0.2 2,-0.4 -0.660 28.9-175.4 -77.6 126.0 -4.4 28.6 18.7 65 65 A V E -EJ 15 72B 0 7,-3.0 7,-2.7 -2,-0.5 2,-0.7 -0.984 17.6-154.8-125.5 129.6 -4.4 29.4 14.9 66 66 A E E -EJ 14 71B 56 -52,-2.3 -52,-2.1 -2,-0.4 2,-0.6 -0.929 17.2-172.6-104.9 111.6 -4.2 32.8 13.5 67 67 A I E > S-EJ 13 70B 0 3,-2.9 3,-1.7 -2,-0.7 -54,-0.2 -0.931 74.8 -22.5-116.4 113.3 -5.9 32.6 10.1 68 68 A C T 3 S- 0 0 70 -56,-1.9 -1,-0.2 -2,-0.6 -55,-0.1 0.912 127.7 -55.5 46.3 47.7 -5.6 35.8 8.0 69 69 A G T 3 S+ 0 0 44 -57,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.081 112.9 123.2 78.4 -28.2 -5.0 37.5 11.3 70 70 A H E < - J 0 67B 74 -3,-1.7 -3,-2.9 -4,-0.1 2,-0.5 -0.470 59.7-133.5 -61.3 134.8 -8.3 36.2 12.8 71 71 A K E + J 0 66B 143 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.834 34.5 160.8-101.0 126.8 -7.7 34.2 16.0 72 72 A V E - J 0 65B 9 -7,-2.7 -7,-3.0 -2,-0.5 2,-0.4 -0.902 25.2-145.5-135.4 162.4 -9.4 30.8 16.5 73 73 A I E + J 0 64B 91 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.998 37.7 117.7-132.4 132.7 -8.8 27.7 18.7 74 74 A G E - 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