==== 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 10-SEP-05 2AZC . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.HEASLET,V.KUTILEK,G.M.MORRIS,Y-C.LIN,J.H.ELDER,B.E.TORBETT . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10364.0 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 3 1 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 4 1 0 0 2 1 3 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 89 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-150.6 89.5 6.8 36.5 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.977 360.0-168.3-119.9 121.7 92.1 9.2 37.9 3 3 A I E -A 197 0A 31 194,-2.6 194,-2.5 -2,-0.5 2,-0.1 -0.928 6.1-154.0-115.2 130.9 95.5 9.3 36.3 4 4 A T - 0 0 65 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.434 16.8-130.1 -91.1 173.3 98.5 11.0 37.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 -2,-0.1 185,-0.1 0.126 72.1 111.8-117.0 23.1 101.3 12.4 35.7 6 6 A W S S+ 0 0 183 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.880 94.9 20.6 -62.1 -32.7 104.5 11.0 37.3 7 7 A K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.828 113.1 -66.2-128.0 168.1 104.8 9.0 34.1 8 8 A R - 0 0 137 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.272 51.5-117.4 -55.3 133.9 103.4 9.4 30.6 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.5 -0.416 50.7 165.9 -76.0 68.3 99.6 9.0 30.7 10 10 A L E +D 23 0B 67 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.728 6.5 171.8 -89.6 124.7 99.5 5.9 28.4 11 11 A V E -D 22 0B 15 11,-2.9 11,-2.5 -2,-0.5 2,-0.3 -0.824 35.5 -97.0-127.5 168.7 96.2 4.0 28.4 12 12 A T E +D 21 0B 83 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.616 40.5 175.3 -87.0 142.8 94.8 1.1 26.4 13 13 A I E -DE 20 66B 1 7,-2.3 7,-2.7 -2,-0.3 2,-0.4 -0.929 18.6-143.6-138.3 160.9 92.5 1.9 23.4 14 14 A K E +DE 19 65B 91 51,-2.4 51,-2.3 -2,-0.3 2,-0.4 -0.999 19.1 171.7-133.0 131.6 90.9 -0.4 20.9 15 15 A I E > S-D 18 0B 6 3,-2.1 3,-1.8 -2,-0.4 2,-0.2 -0.994 70.8 -15.3-140.1 127.2 90.4 0.5 17.2 16 16 A G T 3 S- 0 0 65 -2,-0.4 22,-0.0 47,-0.3 0, 0.0 -0.535 127.1 -44.7 70.4-146.1 89.2 -2.1 14.8 17 17 A G T 3 S+ 0 0 70 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.018 116.2 111.5-103.2 30.8 89.7 -5.4 16.7 18 18 A Q E < -D 15 0B 115 -3,-1.8 -3,-2.1 2,-0.0 2,-0.4 -0.895 60.0-141.9-117.1 133.1 93.2 -4.2 17.8 19 19 A L E +D 14 0B 135 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.702 30.9 169.4 -85.2 131.4 94.5 -3.2 21.2 20 20 A K E -D 13 0B 59 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.4 -0.900 33.9-119.0-137.9 168.0 96.9 -0.3 21.3 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.887 36.9 176.6-106.5 138.9 98.6 2.0 23.7 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.5 -0.999 28.2-117.2-148.5 149.3 97.9 5.7 23.4 23 23 A L E -Df 10 84B 18 60,-3.5 62,-3.2 -2,-0.3 2,-0.9 -0.726 18.9-135.0 -91.1 126.1 98.8 9.0 25.2 24 24 A I E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.687 35.0-174.6 -76.3 109.6 96.0 11.1 26.8 25 25 A D > + 0 0 17 60,-2.5 3,-1.7 -2,-0.9 62,-0.3 -0.847 28.2 178.6-121.6 100.0 97.2 14.5 25.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.650 87.4 62.0 -68.9 -13.9 95.5 17.7 26.7 27 27 A G T 3 S+ 0 0 23 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.293 86.8 86.9 -93.4 7.9 98.0 19.6 24.5 28 28 A A < - 0 0 14 -3,-1.7 59,-2.6 57,-0.2 60,-0.2 -0.946 55.3-166.9-111.8 117.6 96.8 17.9 21.2 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.928 79.6 33.6 -64.2 -43.3 93.8 19.6 19.4 30 30 A D S S- 0 0 46 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.687 87.3-106.8-113.8 164.9 93.5 16.4 17.3 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.5 -0.779 34.5-172.8 -92.0 127.3 94.0 12.7 17.6 32 32 A V E -gH 76 84B 10 52,-1.5 52,-3.4 -2,-0.5 2,-0.3 -0.975 1.3-170.6-125.7 118.7 97.1 11.4 15.9 33 33 A L E -g 77 0B 0 43,-3.4 45,-1.5 -2,-0.5 47,-0.2 -0.778 31.0 -99.1-109.8 154.2 97.8 7.6 15.6 34 34 A E E -g 78 0B 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.329 67.2 -65.7 -63.6 149.4 100.9 5.8 14.4 35 35 A E S S+ 0 0 139 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.033 78.2 139.0 -42.5 129.8 100.7 4.6 10.7 36 36 A M - 0 0 26 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.964 55.0 -84.8-164.6 168.6 98.0 1.9 10.3 37 37 A N + 0 0 153 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.736 44.3 176.2 -90.7 129.4 95.3 0.8 8.0 38 38 A L - 0 0 26 -2,-0.5 2,-0.1 2,-0.1 24,-0.0 -0.915 28.1-107.5-127.5 156.5 91.9 2.5 8.3 39 39 A P + 0 0 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.466 68.6 8.7 -84.5 154.2 88.7 2.1 6.2 40 40 A G S S- 0 0 68 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.070 94.9 -27.3 79.0-176.0 87.2 4.6 3.7 41 41 A R - 0 0 233 1,-0.0 19,-0.4 18,-0.0 2,-0.3 -0.279 53.3-164.1 -75.4 156.8 88.2 7.9 2.1 42 42 A W - 0 0 119 17,-0.1 17,-0.2 -2,-0.0 15,-0.1 -0.889 6.3-150.9-135.3 165.9 90.6 10.4 3.7 43 43 A K E -I 58 0B 109 15,-1.7 15,-2.6 -2,-0.3 2,-0.1 -0.926 29.6 -99.0-133.4 158.4 91.6 14.0 3.1 44 44 A P E -I 57 0B 77 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.469 37.9-175.5 -78.5 154.2 94.8 15.9 3.6 45 45 A K E -I 56 0B 64 11,-1.8 11,-2.7 -2,-0.1 2,-0.5 -0.982 18.9-141.1-148.9 139.0 95.3 18.0 6.7 46 46 A I E +I 55 0B 104 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.870 27.7 171.4-101.5 127.8 98.1 20.2 7.9 47 47 A I E -I 54 0B 19 7,-3.1 7,-2.2 -2,-0.5 2,-0.3 -0.836 12.3-154.6-127.3 168.0 99.0 20.1 11.6 48 48 A G E +I 53 0B 46 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.956 17.9 160.5-143.5 162.1 101.8 21.7 13.6 49 49 A G E > -I 52 0B 28 3,-1.9 3,-1.6 -2,-0.3 2,-0.3 -0.787 64.1 -44.8-155.2-165.0 103.8 21.3 16.8 50 50 A I T 3 S+ 0 0 22 1,-0.2 101,-1.8 -2,-0.2 102,-0.5 -0.625 131.2 40.8 -71.8 137.7 107.1 22.5 18.1 51 51 A G T 3 S- 0 0 37 -2,-0.3 2,-0.3 128,-0.3 102,-0.2 -0.031 120.6 -84.8 113.6 -33.1 109.3 21.9 15.1 52 52 A G E < -I 49 0B 30 -3,-1.6 -3,-1.9 100,-0.2 2,-0.2 -0.868 58.3 -35.1 135.1-168.7 106.8 23.1 12.5 53 53 A L E -I 48 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.469 46.9-177.4 -90.1 167.2 103.9 22.1 10.3 54 54 A I E -I 47 0B 44 -7,-2.2 -7,-3.1 -2,-0.2 2,-0.5 -0.964 24.8-124.3-163.9 147.2 103.3 18.8 8.6 55 55 A K E +I 46 0B 151 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.860 37.9 165.8-100.8 133.1 100.8 17.2 6.3 56 56 A V E -I 45 0B 14 -11,-2.7 -11,-1.8 -2,-0.5 2,-0.4 -0.819 39.0 -87.8-135.9 175.8 99.1 14.0 7.5 57 57 A R E -IJ 44 77B 111 20,-2.3 20,-2.8 -2,-0.2 2,-0.5 -0.771 34.2-153.9 -94.7 134.4 96.1 11.9 6.6 58 58 A Q E -IJ 43 76B 22 -15,-2.6 -15,-1.7 -2,-0.4 2,-0.4 -0.917 10.8-176.0-111.7 122.1 92.7 12.7 8.1 59 59 A Y E - J 0 75B 11 16,-2.7 16,-2.2 -2,-0.5 3,-0.3 -0.933 16.0-147.4-112.8 136.9 89.9 10.0 8.5 60 60 A D E + 0 0 68 -19,-0.4 14,-0.1 -2,-0.4 13,-0.1 -0.680 65.4 14.2-107.2 161.5 86.5 11.1 9.8 61 61 A Q E S+ 0 0 164 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.911 74.7 166.4 45.5 61.5 83.9 9.4 12.0 62 62 A I E - J 0 73B 13 11,-2.1 11,-1.4 -3,-0.3 2,-0.2 -0.916 33.4-131.8-109.0 122.3 86.1 6.6 13.2 63 63 A P E + J 0 72B 88 0, 0.0 -47,-0.3 0, 0.0 2,-0.3 -0.513 36.0 166.8 -72.3 139.2 84.8 4.5 16.2 64 64 A I E - J 0 71B 7 7,-2.6 7,-2.8 -2,-0.2 2,-0.5 -0.988 27.1-142.7-152.8 148.0 87.4 4.1 18.9 65 65 A E E -EJ 14 70B 55 -51,-2.3 -51,-2.4 -2,-0.3 2,-0.5 -0.976 11.5-166.4-120.4 129.8 87.4 2.9 22.5 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.4 -2,-0.5 -53,-0.2 -0.951 74.9 -27.9-119.2 110.6 89.5 4.6 25.2 67 67 A C T 3 S- 0 0 49 -55,-2.4 -1,-0.2 -2,-0.5 -54,-0.1 0.877 130.3 -44.9 52.5 37.3 89.9 2.8 28.5 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.572 114.5 118.1 85.4 7.6 86.5 1.3 27.9 69 69 A H E < - J 0 66B 61 -3,-1.4 -3,-2.8 2,-0.0 2,-0.2 -0.950 58.5-135.7-112.5 122.2 84.8 4.5 26.7 70 70 A K E + J 0 65B 170 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.517 30.4 166.2 -79.0 139.7 83.4 4.6 23.2 71 71 A A E - 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