==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-JUL-00 1FG6 . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.MAHALINGAM,J.M.LOUIS,R.W.HARRISON,I.T.WEBER . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 37.2 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 . 27 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.5 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 1 0 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 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 0 5 0 0 3 0 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 C P 0 0 93 0, 0.0 198,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 160.5 -0.5 39.2 18.3 2 2 C Q E -A 198 0A 127 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.951 360.0-158.0-107.9 118.3 -0.3 36.9 21.3 3 3 C I E -A 197 0A 37 194,-4.2 194,-2.7 -2,-0.6 2,-0.1 -0.873 2.4-150.7-104.5 117.4 0.5 33.3 20.2 4 4 C T E -A 196 0A 68 -2,-0.6 3,-0.4 192,-0.2 192,-0.1 -0.448 14.4-133.4 -78.1 160.2 -0.4 30.5 22.6 5 5 C L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.108 72.1 111.6-107.2 24.7 1.7 27.3 22.4 6 6 C W S S+ 0 0 196 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.748 91.5 21.8 -66.1 -26.3 -0.9 24.6 22.3 7 7 C K S S- 0 0 130 -3,-0.4 0, 0.0 180,-0.0 0, 0.0 -0.873 110.9 -68.9-134.3 167.2 0.2 24.0 18.7 8 8 C R - 0 0 125 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.387 50.8-119.5 -58.6 128.7 3.4 24.7 16.8 9 9 C P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.527 46.5 176.3 -73.4 84.5 3.7 28.5 16.2 10 10 C L E -D 23 0B 59 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.707 8.4-179.7 -95.7 143.1 3.7 28.5 12.4 11 11 C V E -D 22 0B 24 11,-3.2 11,-3.3 -2,-0.3 2,-0.5 -0.925 27.8-120.9-136.0 158.0 3.8 31.6 10.3 12 12 C T E -D 21 0B 94 -2,-0.3 55,-0.7 9,-0.2 2,-0.3 -0.884 34.9-176.7 -99.5 130.2 3.8 32.4 6.6 13 13 C I E -DE 20 66B 2 7,-3.3 7,-2.5 -2,-0.5 2,-0.5 -0.785 22.5-138.1-120.3 166.4 6.8 34.4 5.4 14 14 C K E +DE 19 65B 75 51,-1.5 51,-2.0 -2,-0.3 2,-0.4 -0.987 31.8 163.2-128.0 114.2 7.8 35.9 2.0 15 15 C I E > -DE 18 64B 0 3,-2.8 3,-2.3 -2,-0.5 49,-0.1 -0.999 68.8 -0.4-135.8 131.2 11.5 35.4 1.2 16 16 C G T 3 S- 0 0 50 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.801 131.3 -60.2 61.9 26.9 13.0 35.8 -2.3 17 17 C G T 3 S+ 0 0 54 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.479 115.5 120.0 78.4 4.6 9.6 36.6 -3.5 18 18 C Q E < -D 15 0B 80 -3,-2.3 -3,-2.8 2,-0.0 2,-0.5 -0.835 61.8-133.5-107.3 138.9 8.4 33.1 -2.3 19 19 C L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.755 34.3 172.8 -88.8 128.0 5.8 32.4 0.3 20 20 C K E -D 13 0B 26 -7,-2.5 -7,-3.3 -2,-0.5 2,-0.4 -0.981 33.2-124.1-137.6 148.9 6.9 29.8 2.8 21 21 C E E -D 12 0B 125 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.757 39.0-178.6 -88.6 137.4 5.5 28.3 6.1 22 22 C A E -D 11 0B 2 -11,-3.3 -11,-3.2 -2,-0.4 2,-0.5 -0.976 26.7-121.9-141.2 157.0 7.9 28.7 9.0 23 23 C L E -Df 10 84B 13 60,-3.1 62,-3.2 -2,-0.3 2,-0.9 -0.833 21.3-132.4-100.9 125.4 8.3 27.9 12.6 24 24 C L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.692 34.0-174.4 -76.7 109.3 8.8 30.6 15.2 25 25 C D > + 0 0 2 60,-2.7 3,-1.7 -2,-0.9 62,-0.3 -0.849 25.6 178.9-117.9 98.7 11.7 29.1 17.1 26 26 C T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.652 87.3 61.7 -67.7 -16.3 13.0 30.8 20.3 27 27 C G T 3 S+ 0 0 2 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.285 89.4 87.4 -91.8 9.2 15.5 28.0 20.7 28 28 C A < - 0 0 0 -3,-1.7 59,-3.0 57,-0.2 60,-0.2 -0.949 58.3-163.7-114.2 123.3 17.1 28.9 17.3 29 29 C D S S+ 0 0 19 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.906 77.5 31.3 -65.8 -43.7 19.9 31.4 17.1 30 30 C D S S- 0 0 25 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.682 83.6-107.3-117.0 168.2 19.5 31.8 13.4 31 31 C T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.2 2,-0.5 -0.819 36.3-168.8 -94.3 127.0 16.9 31.6 10.7 32 32 C V E -gH 76 84B 0 52,-1.9 52,-3.1 -2,-0.5 2,-0.3 -0.983 2.7-170.9-125.1 122.7 17.3 28.5 8.6 33 33 C I E -g 77 0B 0 43,-3.3 45,-2.3 -2,-0.5 47,-0.2 -0.848 27.9-103.9-117.0 146.9 15.4 28.0 5.3 34 34 C E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.184 68.2 -57.5 -60.3 157.5 15.0 25.0 3.1 35 35 C E S S+ 0 0 109 43,-0.5 2,-0.3 45,-0.1 -1,-0.2 -0.065 80.5 135.1 -44.1 126.6 17.0 25.0 -0.2 36 36 C M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.950 55.3 -92.6-164.6 164.8 16.2 28.0 -2.3 37 37 C S + 0 0 98 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.732 38.4 179.6 -92.9 136.2 18.1 30.6 -4.3 38 38 C L - 0 0 10 -2,-0.4 -2,-0.0 2,-0.1 24,-0.0 -0.982 28.6-109.5-132.4 145.1 19.1 33.9 -2.7 39 39 C P S S+ 0 0 100 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.297 71.9 22.0 -72.7 159.5 21.0 36.8 -4.3 40 40 C G S S- 0 0 65 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.160 95.8 -33.2 85.1-177.3 24.6 37.8 -3.4 41 41 C R - 0 0 219 19,-0.0 19,-0.5 -2,-0.0 2,-0.3 -0.440 55.1-170.6 -79.5 154.8 27.6 36.1 -1.9 42 42 C W E -I 59 0B 116 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.897 13.3-146.0-141.1 166.4 27.4 33.5 0.8 43 43 C K E -I 58 0B 106 15,-1.2 15,-3.2 -2,-0.3 2,-0.1 -0.991 28.8-107.2-136.7 140.7 29.7 31.6 3.1 44 44 C P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.382 39.0 178.0 -67.4 147.7 29.4 28.0 4.4 45 45 C K E -I 56 0B 67 11,-2.2 11,-3.1 -2,-0.1 2,-0.5 -0.981 23.8-138.8-148.8 150.1 28.3 27.3 7.9 46 46 C M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.974 22.7-173.3-113.5 127.6 27.6 24.2 10.1 47 47 C I E -I 54 0B 1 7,-2.5 7,-2.2 -2,-0.5 2,-0.3 -0.966 4.2-164.9-123.3 141.8 24.6 24.4 12.4 48 48 C G E +I 53 0B 1 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.798 24.2 125.8-126.6 168.3 23.6 21.8 15.0 49 49 C G E > -I 52 0B 3 3,-1.5 3,-2.1 -2,-0.3 2,-0.1 -0.881 69.8 -2.7 179.3-151.8 20.8 20.7 17.2 50 50 C I T 3 S+ 0 0 8 -2,-0.3 101,-1.8 1,-0.3 102,-1.0 -0.399 132.9 20.4 -60.9 128.6 19.0 17.4 17.9 51 51 C G T 3 S- 0 0 31 128,-0.3 2,-0.3 100,-0.3 -1,-0.3 0.249 120.4 -89.9 96.4 -14.8 20.3 14.8 15.5 52 52 C G E < -I 49 0B 26 -3,-2.1 -3,-1.5 100,-0.2 99,-0.3 -0.832 64.1 -27.1 117.3-151.3 23.6 16.6 14.8 53 53 C F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.743 36.9-166.6-112.9 155.9 24.8 19.2 12.2 54 54 C I E -I 47 0B 22 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.5 -0.957 26.0-120.5-135.5 147.8 24.0 20.2 8.7 55 55 C K E +I 46 0B 150 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.822 38.0 176.5 -92.8 130.2 26.0 22.4 6.3 56 56 C V E -I 45 0B 4 -11,-3.1 -11,-2.2 -2,-0.5 2,-0.5 -0.804 30.9-114.0-129.0 168.2 24.2 25.5 5.2 57 57 C R E -IJ 44 77B 49 20,-2.7 20,-2.5 -2,-0.3 2,-0.6 -0.931 28.4-141.8-106.9 126.9 24.9 28.6 3.0 58 58 C Q E -IJ 43 76B 29 -15,-3.2 -15,-1.2 -2,-0.5 2,-0.4 -0.800 18.5-177.6 -96.6 120.7 24.9 31.9 4.8 59 59 C Y E -IJ 42 75B 11 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.942 14.2-148.1-114.6 132.5 23.5 35.0 3.1 60 60 C D E + 0 0 75 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.601 69.1 19.2 -99.3 161.7 23.6 38.4 4.8 61 61 C Q E S+ 0 0 158 -2,-0.2 2,-0.5 1,-0.2 13,-0.2 0.856 75.9 162.1 49.5 49.1 21.2 41.3 4.6 62 62 C I E - J 0 73B 15 11,-3.6 11,-2.1 -3,-0.3 2,-0.4 -0.845 33.0-136.3 -99.6 129.1 18.2 39.3 3.4 63 63 C I E - J 0 72B 89 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.739 23.5-177.1 -88.3 131.0 14.8 40.9 3.7 64 64 C I E -EJ 15 71B 2 7,-3.4 7,-2.1 -2,-0.4 2,-0.5 -0.981 20.0-140.6-128.9 139.1 12.0 38.7 5.0 65 65 C E E +EJ 14 70B 79 -51,-2.0 -51,-1.5 -2,-0.4 2,-0.4 -0.895 28.6 170.7 -98.6 125.9 8.4 39.7 5.4 66 66 C I E > -EJ 13 69B 3 3,-3.2 3,-1.5 -2,-0.5 -53,-0.1 -0.921 64.5 -18.3-143.7 115.2 6.8 38.2 8.6 67 67 C A T 3 S- 0 0 48 -55,-0.7 3,-0.1 -2,-0.4 -54,-0.1 0.903 127.4 -50.6 59.8 43.9 3.4 39.0 10.0 68 68 C G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.164 118.0 114.0 83.2 -20.9 3.2 42.3 8.1 69 69 C H E < - J 0 66B 68 -3,-1.5 -3,-3.2 1,-0.0 2,-0.7 -0.591 60.0-145.5 -85.0 146.8 6.7 43.3 9.3 70 70 C K E + J 0 65B 150 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.2 -0.843 28.2 178.3-115.1 90.8 9.5 43.6 6.8 71 71 C A E - J 0 64B 7 -7,-2.1 -7,-3.4 -2,-0.7 2,-0.4 -0.562 13.0-152.4 -92.9 158.4 12.7 42.5 8.7 72 72 C I E + J 0 63B 84 -9,-0.3 2,-0.3 -2,-0.2 -9,-0.2 -0.984 35.8 88.3-135.1 140.8 16.3 42.2 7.4 73 73 C G E - 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