==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 20-SEP-02 1MT7 . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.PRABU-JEYABALAN,E.A.NALIVAIKA,N.M.KING,C.A.SCHIFFER . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 36.9 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 2.9 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 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 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 . 4 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 0 1 1 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 84 0, 0.0 198,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.7 -2.5 6.8 34.9 2 2 A Q E -A 198 0A 136 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.906 360.0-162.1-104.2 127.2 1.2 6.2 34.7 3 3 A I E -A 197 0A 37 194,-2.9 194,-2.0 -2,-0.5 2,-0.1 -0.946 4.6-151.1-117.1 123.4 2.1 3.0 32.8 4 4 A T - 0 0 75 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.398 15.3-131.8 -82.7 167.8 5.5 1.3 33.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.080 75.5 104.1-114.1 25.9 6.9 -0.8 30.2 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.813 92.9 33.9 -72.6 -28.2 8.0 -4.1 31.8 7 7 A K S S- 0 0 67 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.808 110.0 -78.6-121.2 162.1 4.9 -5.6 30.3 8 8 A R - 0 0 155 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.340 46.4-115.2 -59.9 140.0 3.0 -4.9 27.1 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.424 52.1 169.1 -79.0 68.1 0.9 -1.7 27.4 10 10 A L E +D 23 0B 82 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.620 4.8 170.0 -85.4 137.4 -2.4 -3.6 27.0 11 11 A V E -D 22 0B 13 11,-2.7 11,-2.8 -2,-0.3 2,-0.4 -0.938 33.6-111.1-142.0 163.3 -5.7 -1.8 27.7 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.813 36.1-177.7 -98.3 136.8 -9.4 -2.4 27.2 13 13 A I E -DE 20 66B 5 7,-2.8 7,-2.4 -2,-0.4 2,-0.4 -0.868 20.1-138.0-129.0 164.0 -11.3 -0.2 24.7 14 14 A R E +DE 19 65B 108 51,-2.0 51,-2.2 -2,-0.3 2,-0.3 -0.992 30.3 159.0-126.8 124.3 -14.9 0.2 23.6 15 15 A I E > +DE 18 64B 2 3,-2.6 3,-2.5 -2,-0.4 49,-0.1 -0.995 66.8 2.1-147.1 137.7 -15.7 0.6 19.9 16 16 A G T 3 S- 0 0 60 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.742 129.8 -62.0 59.7 20.4 -18.9 0.0 17.9 17 17 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.449 116.2 110.7 84.8 2.0 -20.4 -1.0 21.3 18 18 A Q E < -D 15 0B 103 -3,-2.5 -3,-2.6 0, 0.0 2,-0.3 -0.872 64.3-128.7-113.8 143.0 -18.0 -3.9 21.7 19 19 A L E +D 14 0B 105 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.673 35.3 163.7 -88.8 142.3 -15.1 -4.3 24.2 20 20 A K E -D 13 0B 35 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.4 -0.938 35.5-113.2-148.6 168.9 -11.7 -5.3 23.0 21 21 A E E +D 12 0B 56 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.908 36.7 175.0-110.1 136.7 -8.0 -5.3 24.1 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.926 28.2-120.1-137.9 163.3 -5.5 -3.1 22.4 23 23 A L E -Df 10 84B 23 60,-2.3 62,-3.0 -2,-0.3 2,-0.7 -0.910 24.1-126.8-108.5 126.2 -1.8 -2.1 22.7 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.600 35.4-171.7 -71.2 112.3 -0.8 1.5 23.3 25 25 A N > + 0 0 1 60,-2.8 3,-1.4 -2,-0.7 62,-0.3 -0.847 26.4 176.5-118.5 99.3 1.7 2.0 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.654 84.9 64.2 -71.2 -13.2 3.8 5.1 20.3 27 27 A G T 3 S+ 0 0 1 81,-0.1 178,-2.4 -3,-0.1 2,-0.5 0.226 89.0 83.5 -94.1 14.1 5.5 3.7 17.2 28 28 A A B < -G 204 0B 0 -3,-1.4 59,-3.0 176,-0.3 176,-0.3 -0.972 59.8-160.6-122.0 126.4 2.3 3.7 15.2 29 29 A D S S+ 0 0 19 174,-2.6 59,-1.4 -2,-0.5 2,-0.2 0.881 80.5 32.3 -66.4 -38.5 1.0 6.8 13.3 30 30 A D S S- 0 0 22 173,-0.2 2,-0.6 57,-0.2 57,-0.2 -0.666 83.6-105.8-119.5 172.8 -2.5 5.2 13.2 31 31 A T - 0 0 2 43,-0.4 45,-3.5 -2,-0.2 2,-0.5 -0.876 38.9-176.0-100.6 116.5 -4.9 3.0 15.1 32 32 A V E -hI 76 84B 0 52,-1.0 52,-3.0 -2,-0.6 2,-0.3 -0.967 3.3-173.9-122.2 125.0 -5.2 -0.4 13.5 33 33 A L E -h 77 0B 2 43,-3.2 45,-2.1 -2,-0.5 47,-0.2 -0.854 30.8 -99.9-117.8 151.8 -7.5 -3.2 14.6 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.176 69.1 -55.8 -62.1 159.2 -7.9 -6.8 13.5 35 35 A E S S+ 0 0 123 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.050 80.5 137.0 -41.2 127.3 -10.7 -7.7 11.0 36 36 A M - 0 0 22 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.965 53.3 -95.0-164.9 168.7 -14.1 -6.6 12.4 37 37 A N + 0 0 90 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.802 36.8 179.6 -97.9 135.6 -17.4 -4.9 11.3 38 38 A L - 0 0 14 -2,-0.4 -2,-0.0 2,-0.2 39,-0.0 -1.000 29.6-112.0-135.7 136.4 -17.8 -1.1 11.9 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.307 75.3 27.9 -67.0 148.5 -20.9 1.0 10.9 40 40 A G S S- 0 0 65 19,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.336 96.2 -39.1 98.9-179.9 -20.6 3.5 8.2 41 41 A K - 0 0 93 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.425 50.9-170.4 -82.4 158.1 -18.6 4.0 5.0 42 42 A W - 0 0 125 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.940 11.5-140.6-143.0 162.3 -14.9 3.2 4.7 43 43 A K E -J 58 0B 45 15,-1.6 15,-3.2 -2,-0.3 2,-0.2 -0.960 27.5-105.0-128.5 146.0 -12.2 3.8 2.1 44 44 A P E +J 57 0B 114 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.477 47.5 168.6 -70.1 136.9 -9.4 1.5 0.9 45 45 A K E -J 56 0B 60 11,-2.3 11,-3.2 -2,-0.2 2,-0.4 -0.977 27.6-139.6-147.4 158.1 -5.9 2.4 2.2 46 46 A M E -J 55 0B 106 -2,-0.3 156,-0.5 9,-0.2 2,-0.3 -0.976 21.2-178.4-123.1 135.9 -2.4 1.1 2.4 47 47 A I E -J 54 0B 0 7,-2.1 7,-2.2 -2,-0.4 2,-0.3 -0.879 19.3-123.2-130.0 161.7 -0.1 1.3 5.4 48 48 A G E +Jk 53 203B 4 154,-3.3 156,-2.4 -2,-0.3 5,-0.2 -0.801 27.2 169.6-110.3 150.3 3.4 0.3 6.3 49 49 A G E > -Jk 52 204B 3 3,-2.4 3,-0.6 -2,-0.3 156,-0.2 -0.771 53.4 -76.3-140.7-175.0 4.9 -1.9 9.0 50 50 A I T 3 S+ 0 0 2 154,-0.5 101,-0.2 156,-0.4 3,-0.1 0.842 130.6 36.6 -57.8 -34.9 8.1 -3.6 10.1 51 51 A G T 3 S- 0 0 24 99,-2.0 2,-0.3 1,-0.3 100,-0.3 0.535 125.0 -81.3 -97.8 -6.7 7.6 -6.4 7.5 52 52 A G E < -J 49 0B 23 98,-0.9 -3,-2.4 -3,-0.6 2,-0.3 -0.972 64.1 -32.5 143.5-158.5 6.1 -4.4 4.7 53 53 A F E -J 48 0B 135 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.764 44.7-175.8-106.8 148.6 2.8 -2.9 3.5 54 54 A I E -J 47 0B 21 -7,-2.2 -7,-2.1 -2,-0.3 2,-0.4 -0.902 26.5-113.6-134.5 163.5 -0.8 -4.1 3.9 55 55 A K E +J 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.815 38.9 173.0 -99.0 138.2 -4.2 -3.1 2.7 56 56 A V E -J 45 0B 8 -11,-3.2 -11,-2.3 -2,-0.4 2,-0.5 -0.873 33.9-112.3-138.2 169.7 -6.8 -1.8 5.2 57 57 A R E -JL 44 77B 42 20,-2.3 20,-2.0 -2,-0.3 2,-0.6 -0.930 30.0-144.7-106.3 126.1 -10.2 -0.2 5.5 58 58 A Q E -JL 43 76B 43 -15,-3.2 -15,-1.6 -2,-0.5 2,-0.5 -0.828 15.7-174.5 -98.6 117.6 -10.3 3.3 6.7 59 59 A Y E - L 0 75B 8 16,-2.4 16,-2.6 -2,-0.6 3,-0.3 -0.930 14.5-149.2-107.9 130.5 -13.2 4.4 8.9 60 60 A D E + 0 0 90 -2,-0.5 14,-0.2 -19,-0.5 13,-0.1 -0.693 65.6 10.7-103.1 155.2 -13.4 8.1 9.9 61 61 A Q E S+ 0 0 163 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.864 78.5 166.3 50.8 48.4 -14.7 9.8 12.9 62 62 A I E - L 0 73B 18 11,-2.6 11,-2.1 -3,-0.3 2,-0.2 -0.807 36.2-124.3 -97.6 126.1 -15.2 6.7 15.0 63 63 A P E + L 0 72B 82 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.467 33.9 176.4 -68.5 133.4 -15.9 6.9 18.7 64 64 A V E -EL 15 71B 5 7,-3.2 7,-1.7 -2,-0.2 2,-0.6 -0.971 19.7-154.4-142.6 123.1 -13.4 4.9 20.8 65 65 A E E -EL 14 70B 95 -51,-2.2 -51,-2.0 -2,-0.4 2,-0.6 -0.884 13.9-169.3 -99.9 121.2 -13.2 4.8 24.6 66 66 A I E > S-EL 13 69B 0 3,-3.4 3,-2.3 -2,-0.6 -53,-0.2 -0.938 70.4 -28.0-115.5 112.7 -9.7 3.9 25.8 67 67 A C T 3 S- 0 0 57 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.853 128.6 -47.1 51.8 36.5 -9.3 3.1 29.5 68 68 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.460 116.3 118.5 86.7 -0.3 -12.2 5.3 30.2 69 69 A H E < - L 0 66B 66 -3,-2.3 -3,-3.4 2,-0.0 2,-0.3 -0.870 60.2-129.3-104.7 134.3 -11.0 8.2 28.0 70 70 A K E + L 0 65B 82 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.616 31.2 164.8 -87.8 136.5 -13.0 9.3 25.0 71 71 A A E - 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