==== 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 28-MAY-05 1ZTZ . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.CIGLER,M.KOZISEK,P.REZACOVA,J.BRYNDA,Z.OTWINOWSKI,J.SEDLAC . 202 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 33.7 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 . 4 2.0 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 . 2 1.0 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 . 33 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.4 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 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 2 2 0 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 68 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.1 14.3 0.6 8.3 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.991 360.0-162.2-116.5 117.5 15.0 2.8 5.3 3 3 A I E -A 197 0A 32 194,-2.7 194,-2.5 -2,-0.5 2,-0.1 -0.899 4.9-152.9-102.7 121.0 18.4 4.5 5.6 4 4 A T - 0 0 67 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.487 13.7-133.0 -85.5 168.2 18.9 7.6 3.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.111 74.2 109.5-116.9 17.9 22.4 8.4 2.3 6 6 A W S S+ 0 0 168 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.825 95.4 26.8 -57.8 -34.0 22.6 12.1 3.0 7 7 A K S S- 0 0 161 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.781 112.9 -75.0-116.0 168.7 24.9 11.0 5.8 8 8 A R - 0 0 125 -2,-0.3 2,-2.5 1,-0.1 119,-0.1 -0.428 49.9-113.4 -60.2 139.7 27.1 7.9 6.1 9 9 A P + 0 0 1 0, 0.0 15,-2.6 0, 0.0 2,-0.5 -0.433 54.3 162.1 -77.3 69.9 24.9 4.9 6.9 10 10 A L E +D 23 0B 75 -2,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.807 10.3 170.5 -90.7 131.0 26.3 4.4 10.4 11 11 A V E -D 22 0B 12 11,-2.6 11,-2.4 -2,-0.5 2,-0.5 -0.833 37.5 -96.1-135.2 168.2 24.0 2.2 12.5 12 12 A T E -D 21 0B 76 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.785 39.7-173.9 -89.8 131.8 24.2 0.4 15.9 13 13 A I E -DE 20 66B 0 7,-3.3 7,-3.0 -2,-0.5 2,-0.5 -0.909 16.4-145.2-116.5 156.9 25.2 -3.2 15.8 14 14 A K E +DE 19 65B 99 51,-2.6 51,-2.2 -2,-0.3 2,-0.3 -0.988 31.2 155.6-120.5 124.0 25.3 -5.6 18.6 15 15 A I E > +DE 18 64B 2 3,-2.6 3,-2.9 -2,-0.5 49,-0.1 -0.985 65.7 2.3-151.4 136.7 28.1 -8.2 18.5 16 16 A G T 3 S- 0 0 43 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.760 129.5 -59.6 53.3 32.8 29.7 -10.1 21.4 17 17 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.485 116.9 114.8 78.9 3.1 27.3 -8.6 23.8 18 18 A Q E < -D 15 0B 72 -3,-2.9 -3,-2.6 2,-0.0 2,-0.4 -0.795 62.6-134.6-113.4 148.1 28.7 -5.1 22.8 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.847 34.0 169.0-100.6 134.0 27.0 -2.2 21.0 20 20 A K E -D 13 0B 26 -7,-3.0 -7,-3.3 -2,-0.4 2,-0.4 -0.959 35.8-116.7-139.9 160.5 29.0 -0.6 18.2 21 21 A E E +D 12 0B 105 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.820 39.6 179.3 -93.4 136.5 28.6 1.9 15.4 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.995 28.2-121.7-144.1 147.7 29.1 0.4 12.0 23 23 A L E -Df 10 84B 11 60,-3.7 62,-3.2 -2,-0.3 2,-0.8 -0.766 19.5-137.0 -89.3 123.7 29.0 1.5 8.4 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.720 33.1-173.9 -80.0 110.8 26.6 -0.3 6.1 25 25 A D > - 0 0 1 60,-2.6 3,-1.7 -2,-0.8 62,-0.2 -0.856 27.6-179.0-125.3 94.5 28.9 -0.6 3.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.645 87.8 62.1 -67.0 -12.6 27.6 -2.0 -0.2 27 27 A G T 3 S+ 0 0 23 174,-0.2 2,-0.4 81,-0.1 -1,-0.3 0.538 90.1 86.0 -86.7 -7.7 31.1 -1.6 -1.6 28 28 A A < - 0 0 10 -3,-1.7 59,-2.7 173,-0.2 60,-0.1 -0.810 59.0-163.1-100.3 135.4 32.5 -4.0 0.9 29 29 A D S S+ 0 0 95 -2,-0.4 59,-1.8 57,-0.2 2,-0.2 0.889 76.5 23.5 -76.9 -45.6 32.4 -7.8 0.3 30 30 A D S S- 0 0 80 57,-0.2 2,-0.4 56,-0.2 57,-0.2 -0.642 81.1-104.8-122.2 179.4 32.9 -8.7 3.9 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.898 26.9-172.9-114.0 122.5 32.5 -7.4 7.4 32 32 A V E -gH 76 84B 18 52,-1.3 52,-2.8 -2,-0.4 2,-0.3 -0.984 4.8-170.2-120.0 128.8 35.4 -6.1 9.6 33 33 A I E -g 77 0B 0 43,-3.4 45,-2.3 -2,-0.5 47,-0.3 -0.857 29.7 -97.5-118.6 145.3 35.0 -5.1 13.2 34 34 A E - 0 0 70 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.080 63.2 -63.4 -58.9 162.7 37.4 -3.4 15.5 35 35 A E S S+ 0 0 111 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.184 79.7 136.2 -51.0 121.5 39.6 -5.3 17.9 36 36 A M - 0 0 11 -3,-0.2 2,-0.5 2,-0.0 -20,-0.1 -0.972 55.1 -88.0-159.7 167.8 37.3 -7.1 20.4 37 37 A S + 0 0 93 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.726 39.7 174.6 -85.8 123.8 36.8 -10.4 22.2 38 38 A L - 0 0 19 -2,-0.5 -2,-0.0 2,-0.1 24,-0.0 -0.957 32.0-129.7-125.9 152.1 34.7 -13.1 20.5 39 39 A P S S+ 0 0 122 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.656 70.7 92.3 -79.7 -18.2 34.2 -16.6 21.9 40 40 A G S S- 0 0 39 1,-0.1 2,-0.3 20,-0.1 -2,-0.1 0.185 80.7-101.1 -61.7 177.3 35.0 -18.7 18.8 41 41 A R - 0 0 95 19,-0.1 19,-0.4 17,-0.0 2,-0.3 -0.652 51.0-168.1 -73.7 156.2 37.9 -20.4 17.3 42 42 A W - 0 0 128 -2,-0.3 17,-0.2 17,-0.1 15,-0.0 -0.857 20.0-125.2-137.6 175.5 39.1 -18.1 14.5 43 43 A K E -I 58 0B 99 15,-1.6 15,-2.9 -2,-0.3 2,-0.1 -0.999 28.1-117.7-125.2 132.0 41.5 -18.2 11.5 44 44 A P E +I 57 0B 100 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.449 42.5 173.6 -55.5 134.9 44.3 -15.7 10.9 45 45 A K E -I 56 0B 74 11,-2.2 11,-3.3 -2,-0.1 2,-0.4 -0.952 27.2-139.1-142.0 158.4 43.7 -13.7 7.7 46 46 A M E +I 55 0B 86 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.962 28.0 178.4-112.7 135.5 45.3 -10.8 6.0 47 47 A I E +I 54 0B 47 7,-2.6 7,-2.6 -2,-0.4 6,-2.4 -0.901 33.7 27.6-137.2 169.6 43.1 -8.2 4.4 48 48 A G S > S+ 0 0 45 -2,-0.3 4,-1.8 4,-0.2 3,-0.1 0.085 82.2 54.3 72.8 176.4 43.4 -4.9 2.5 49 49 A G T 4 S- 0 0 61 2,-0.2 2,-0.9 1,-0.2 -1,-0.2 -0.172 111.3 -38.4 65.2-157.8 46.2 -3.5 0.4 50 50 A I T 4 S- 0 0 182 2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 -0.814 133.5 -14.4-109.6 84.8 47.6 -5.4 -2.5 51 51 A G T 4 S- 0 0 86 -2,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.590 136.2 -26.5 93.1 14.9 47.5 -9.0 -1.3 52 52 A G < + 0 0 26 -4,-1.8 -2,-0.3 -7,-0.0 -4,-0.2 0.011 50.7 175.3 119.3 135.9 47.0 -8.2 2.5 53 53 A F + 0 0 164 -6,-2.4 2,-0.4 1,-0.5 -5,-0.2 0.569 68.5 36.9-137.9 -39.3 47.9 -5.3 4.7 54 54 A I E S-I 47 0B 46 -7,-2.6 -7,-2.6 -6,-0.0 -1,-0.5 -0.954 73.9-123.6-127.3 142.2 46.4 -6.0 8.1 55 55 A K E +I 46 0B 162 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.713 37.4 173.6 -81.3 132.8 46.1 -9.2 10.2 56 56 A V E -I 45 0B 5 -11,-3.3 -11,-2.2 -2,-0.4 2,-0.5 -0.852 31.6-118.8-133.8 167.7 42.6 -9.9 11.2 57 57 A R E -IJ 44 77B 47 20,-2.6 20,-2.9 -2,-0.3 2,-0.7 -0.966 22.1-144.3-112.9 126.7 40.9 -12.9 12.9 58 58 A Q E -IJ 43 76B 29 -15,-2.9 -15,-1.6 -2,-0.5 2,-0.5 -0.871 17.4-173.8 -93.7 112.6 38.1 -14.6 10.9 59 59 A Y E - J 0 75B 7 16,-2.8 16,-2.5 -2,-0.7 3,-0.4 -0.941 10.7-153.0-105.5 119.9 35.3 -15.7 13.2 60 60 A D E + 0 0 78 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.554 69.7 20.3 -88.2 159.5 32.6 -17.8 11.4 61 61 A Q E S+ 0 0 165 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.863 78.2 167.1 56.3 43.2 29.0 -18.1 12.4 62 62 A I E - J 0 73B 17 11,-3.1 11,-1.8 -3,-0.4 2,-0.5 -0.792 32.2-135.9 -93.2 131.3 28.9 -14.9 14.5 63 63 A I E + J 0 72B 113 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.718 32.0 170.8 -81.0 129.6 25.5 -13.6 15.5 64 64 A I E -EJ 15 71B 1 7,-2.5 7,-2.3 -2,-0.5 2,-0.5 -0.963 24.8-144.7-136.3 149.1 25.3 -9.9 15.0 65 65 A E E -EJ 14 70B 60 -51,-2.2 -51,-2.6 -2,-0.3 2,-0.5 -0.992 11.1-167.1-120.2 128.5 22.3 -7.6 15.3 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.8 -2,-0.5 -53,-0.2 -0.984 76.6 -27.2-118.4 111.6 22.1 -4.7 12.8 67 67 A C T 3 S- 0 0 48 -55,-2.4 -1,-0.1 -2,-0.5 -54,-0.1 0.889 129.5 -43.8 43.3 50.7 19.4 -2.2 13.8 68 68 A G T 3 S+ 0 0 59 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.534 115.9 118.0 80.0 -1.0 17.4 -4.9 15.6 69 69 A H E < - 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