==== 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-MAY-07 2PYM . 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) . 9856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 37.4 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 . 17 8.6 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 . 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 2 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 107 0, 0.0 198,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 116.7 -27.2 30.3 24.8 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.794 360.0-164.2 -97.2 143.9 -24.8 30.4 27.8 3 3 A I E -A 197 0A 37 194,-2.9 194,-2.6 -2,-0.3 2,-0.1 -0.970 6.4-152.2-133.1 115.9 -23.6 27.1 29.3 4 4 A T - 0 0 70 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.300 15.7-129.8 -81.3 171.4 -22.1 27.1 32.8 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.131 75.3 106.4-118.5 22.6 -19.5 24.5 33.8 6 6 A W S S+ 0 0 170 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.773 93.0 33.6 -70.4 -24.8 -20.8 23.1 37.2 7 7 A Q S S- 0 0 157 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.849 111.9 -79.7-120.9 157.7 -21.8 20.0 35.2 8 8 A R - 0 0 106 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.400 49.8-117.3 -54.8 130.8 -20.1 18.4 32.1 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.465 49.2 169.2 -77.6 76.9 -21.2 20.5 29.1 10 10 A L E +D 23 0B 90 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.753 6.7 178.5 -95.6 129.7 -23.1 17.8 27.3 11 11 A V E -D 22 0B 10 11,-3.0 11,-2.6 -2,-0.4 2,-0.4 -0.831 32.1-103.1-124.6 162.9 -25.3 18.8 24.3 12 12 A T E -D 21 0B 85 -2,-0.3 55,-2.0 9,-0.2 56,-0.3 -0.720 38.8-173.4 -85.4 137.0 -27.5 17.0 21.8 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.4 -2,-0.4 2,-0.4 -0.927 17.1-150.0-124.6 153.3 -26.0 16.5 18.4 14 14 A K E +DE 19 65B 92 51,-2.0 51,-2.5 -2,-0.3 2,-0.3 -0.994 28.4 158.4-121.7 126.4 -27.5 15.1 15.2 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.2 -2,-0.4 49,-0.1 -0.991 64.4 -0.8-150.9 133.5 -25.0 13.4 12.8 16 16 A G T 3 S- 0 0 51 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.807 129.7 -57.6 54.6 34.6 -25.5 10.9 10.0 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.401 116.8 113.0 81.5 -0.9 -29.3 10.9 10.7 18 18 A Q E < -D 15 0B 84 -3,-2.2 -3,-2.6 2,-0.0 2,-0.5 -0.795 62.4-133.3-110.7 149.0 -28.6 9.8 14.4 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.856 34.8 162.6-104.7 131.3 -29.1 11.6 17.7 20 20 A K E -D 13 0B 39 -7,-2.4 -7,-3.1 -2,-0.5 2,-0.4 -0.906 37.1-117.3-141.7 161.1 -26.2 11.5 20.2 21 21 A E E -D 12 0B 115 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.871 36.9-179.6 -99.6 140.9 -25.0 13.3 23.3 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.5 -0.980 26.9-118.5-144.0 154.0 -21.6 15.0 23.1 23 23 A L E -Df 10 84B 6 60,-3.2 62,-2.9 -2,-0.3 2,-0.8 -0.798 21.8-131.9 -95.2 124.5 -19.2 17.0 25.3 24 24 A L E - f 0 85B 1 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.678 36.1-174.1 -73.5 110.9 -18.4 20.7 24.3 25 25 A D > + 0 0 17 60,-2.7 3,-1.6 -2,-0.8 62,-0.3 -0.825 28.3 178.3-124.7 96.2 -14.6 20.4 24.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.674 85.3 63.1 -70.8 -14.9 -12.4 23.5 24.4 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.447 88.7 83.3 -85.2 -3.7 -9.3 21.3 25.2 28 28 A A < - 0 0 17 -3,-1.6 59,-2.9 57,-0.2 60,-0.2 -0.900 57.6-164.7-104.9 130.9 -9.8 19.2 22.1 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.2 57,-0.2 2,-0.3 0.829 78.7 40.7 -73.5 -34.7 -8.5 20.3 18.7 30 30 A N S S- 0 0 56 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.760 82.5-115.5-120.8 158.2 -10.6 17.7 16.9 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.819 34.5-173.0 -94.7 127.5 -14.1 16.3 17.1 32 32 A V E -gH 76 84B 6 52,-1.9 52,-3.5 -2,-0.5 2,-0.3 -0.988 2.8-171.6-130.5 124.6 -14.2 12.6 18.0 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.2 -0.865 28.2-106.0-116.7 149.2 -17.2 10.3 18.0 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.132 70.4 -50.2 -59.8 163.7 -17.7 6.8 19.2 35 35 A E S S+ 0 0 122 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.047 81.3 128.5 -43.7 131.8 -18.1 4.1 16.6 36 36 A M - 0 0 14 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.920 54.1-103.0-170.1 163.8 -20.6 4.8 13.8 37 37 A S - 0 0 99 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.820 35.0-177.8-102.3 147.1 -20.7 4.9 10.0 38 38 A L - 0 0 19 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.904 29.6 -88.2-137.5 160.8 -20.6 8.1 7.9 39 39 A P S S+ 0 0 94 0, 0.0 21,-0.1 0, 0.0 2,-0.1 -0.363 79.5 9.1 -78.8 151.2 -20.7 9.0 4.2 40 40 A G S S- 0 0 72 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.377 99.2 -27.8 90.4-165.6 -17.7 9.2 1.8 41 41 A A - 0 0 85 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.370 53.4-157.7 -80.4 163.8 -14.1 8.2 2.1 42 42 A W E -I 59 0B 126 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.977 4.8-146.1-139.6 155.3 -12.1 8.0 5.3 43 43 A K E -I 58 0B 125 15,-1.6 15,-2.5 -2,-0.3 2,-0.1 -0.962 28.1-107.3-122.7 138.4 -8.4 8.2 6.1 44 44 A P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.376 46.2 173.1 -63.1 141.1 -6.6 6.3 9.0 45 45 A K E -I 56 0B 73 11,-2.1 11,-3.3 -2,-0.1 2,-0.4 -0.988 25.1-147.5-149.7 149.8 -5.5 8.7 11.8 46 46 A M E -I 55 0B 105 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 16.5-173.2-121.9 132.5 -4.0 8.5 15.3 47 47 A I E -I 54 0B 14 7,-2.4 7,-2.5 -2,-0.4 2,-0.4 -0.969 7.7-152.1-126.9 142.6 -4.9 10.9 18.1 48 48 A G E +I 53 0B 63 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.849 21.5 155.1-113.3 146.1 -3.4 11.3 21.5 49 49 A G - 0 0 37 3,-2.2 3,-0.3 101,-0.6 2,-0.2 -0.487 61.5 -33.8-132.5-149.6 -4.8 12.6 24.8 50 50 A I S S+ 0 0 30 -2,-0.2 102,-0.8 1,-0.2 99,-0.5 -0.564 127.7 15.6 -69.8 138.7 -3.9 11.9 28.4 51 51 A G B S-K 151 0C 36 128,-0.3 102,-0.4 -2,-0.2 2,-0.3 -0.044 124.6 -46.0 94.6 -33.8 -2.7 8.4 28.9 52 52 A G - 0 0 29 98,-0.8 -3,-2.2 100,-0.3 2,-0.3 -0.981 67.3 -61.8 168.5-155.4 -2.0 7.3 25.3 53 53 A F E -I 48 0B 129 98,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.863 28.5-155.8-126.0 156.8 -3.2 7.2 21.8 54 54 A I E -I 47 0B 18 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.968 21.2-121.3-129.6 150.4 -6.2 5.8 19.9 55 55 A K E +I 46 0B 125 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.772 38.9 177.3 -88.1 133.0 -6.7 4.8 16.2 56 56 A V E -I 45 0B 4 -11,-3.3 -11,-2.1 -2,-0.4 2,-0.5 -0.903 31.5-122.1-135.2 158.5 -9.5 6.7 14.5 57 57 A R E -IJ 44 77B 45 20,-3.2 20,-2.9 -2,-0.3 2,-0.5 -0.919 28.8-143.4-100.5 127.2 -11.2 7.0 11.1 58 58 A Q E -IJ 43 76B 39 -15,-2.5 -15,-1.6 -2,-0.5 2,-0.4 -0.825 16.0-171.8 -97.7 124.2 -11.2 10.5 9.7 59 59 A Y E -IJ 42 75B 11 16,-3.1 16,-2.9 -2,-0.5 3,-0.3 -0.945 10.4-148.0-115.6 133.4 -14.2 11.7 7.7 60 60 A D E + 0 0 61 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.606 67.5 12.1-102.1 156.7 -14.3 15.0 5.9 61 61 A Q E S+ 0 0 167 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.835 78.4 167.1 50.9 45.9 -17.1 17.5 5.1 62 62 A I E - J 0 73B 6 11,-2.4 11,-1.8 -3,-0.3 2,-0.5 -0.754 34.2-128.5 -92.7 131.5 -19.6 15.9 7.5 63 63 A L E + J 0 72B 96 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.676 32.6 177.2 -78.9 125.5 -22.8 17.8 8.4 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-2.8 -2,-0.5 2,-0.5 -0.982 24.1-148.5-131.5 142.8 -23.4 18.0 12.1 65 65 A E E -EJ 14 70B 68 -51,-2.5 -51,-2.0 -2,-0.4 2,-0.5 -0.956 20.1-174.5-106.6 119.5 -26.2 19.7 14.1 66 66 A I E > S-EJ 13 69B 0 3,-3.6 3,-1.0 -2,-0.5 -53,-0.2 -0.973 72.3 -22.7-125.8 120.8 -24.9 20.9 17.5 67 67 A C T 3 S- 0 0 57 -55,-2.0 -1,-0.1 -2,-0.5 -54,-0.1 0.790 130.5 -51.4 44.1 33.8 -27.3 22.4 20.0 68 68 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.808 115.6 120.3 74.3 30.5 -29.4 23.1 16.9 69 69 A H E < - J 0 66B 63 -3,-1.0 -3,-3.6 2,-0.0 2,-0.3 -0.997 59.0-132.9-120.2 132.7 -26.6 24.8 15.0 70 70 A K E + J 0 65B 147 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.669 30.9 167.1 -87.5 137.3 -25.5 23.4 11.7 71 71 A A E - J 0 64B 6 -7,-2.8 -7,-3.2 -2,-0.3 2,-0.5 -0.966 25.9-149.2-142.1 154.1 -21.8 22.9 10.9 72 72 A I E + J 0 63B 108 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.936 42.4 130.8-128.7 107.5 -19.8 21.0 8.3 73 73 A G E - 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