==== 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 1MT8 . 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) . 9362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 68.4 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 . 29 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.8 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 . 2 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 . 4 1 4 0 1 1 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 2 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,-0.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 164.9 11.9 15.7 28.5 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.861 360.0-161.1 -96.2 123.9 8.2 15.6 27.7 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.6 -2,-0.6 2,-0.1 -0.925 3.0-150.6-112.6 123.5 7.6 14.5 24.1 4 4 A T - 0 0 70 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.380 13.2-134.4 -82.4 166.6 4.2 15.2 22.4 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.102 71.8 110.4-112.9 23.0 2.8 12.9 19.7 6 6 A W S S+ 0 0 198 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.782 94.2 18.0 -64.6 -27.4 1.7 15.5 17.1 7 7 A K S S- 0 0 65 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.824 112.7 -65.9-134.2 171.4 4.5 14.2 15.0 8 8 A R - 0 0 121 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.438 53.1-116.2 -63.7 133.4 6.6 11.0 15.0 9 9 A P + 0 0 5 0, 0.0 15,-2.2 0, 0.0 2,-0.4 -0.413 48.6 171.7 -73.5 71.4 8.7 10.9 18.2 10 10 A L E +D 23 0B 83 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.672 2.8 172.1 -86.7 131.7 12.2 11.1 16.6 11 11 A V E -D 22 0B 10 11,-2.6 11,-2.8 -2,-0.4 2,-0.4 -0.850 34.1-101.0-132.6 168.8 15.2 11.5 18.7 12 12 A T E -D 21 0B 70 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.766 36.8-172.1 -93.9 135.3 19.0 11.4 18.3 13 13 A I E -DE 20 66B 3 7,-2.9 7,-2.0 -2,-0.4 2,-0.6 -0.944 18.4-140.3-128.1 151.3 20.9 8.3 19.4 14 14 A R E +DE 19 65B 116 51,-2.5 51,-2.0 -2,-0.3 2,-0.5 -0.930 25.5 170.8-113.1 110.9 24.6 7.6 19.7 15 15 A I E > S-DE 18 64B 9 3,-2.4 3,-2.3 -2,-0.6 49,-0.1 -0.984 70.5 -28.3-122.8 123.8 25.6 4.1 18.5 16 16 A G T 3 S- 0 0 75 47,-0.7 -1,-0.1 -2,-0.5 3,-0.1 0.740 122.4 -51.9 43.2 35.0 29.3 3.2 18.2 17 17 A G T 3 S+ 0 0 42 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.113 117.3 104.1 95.4 -25.2 30.3 6.7 17.5 18 18 A Q E < -D 15 0B 63 -3,-2.3 -3,-2.4 2,-0.0 2,-0.5 -0.726 62.2-142.3 -92.1 142.9 27.8 7.4 14.6 19 19 A L E +D 14 0B 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.912 27.8 163.8-108.9 132.2 24.8 9.5 15.4 20 20 A K E -D 13 0B 43 -7,-2.0 -7,-2.9 -2,-0.5 2,-0.5 -0.878 38.0-104.0-139.1 169.4 21.4 8.7 13.9 21 21 A E E -D 12 0B 118 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.843 38.3-174.5 -99.0 133.6 17.7 9.5 14.3 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.6 -2,-0.5 2,-0.5 -0.953 24.1-119.8-130.7 149.7 15.5 6.8 15.9 23 23 A L E -Df 10 84B 14 60,-3.1 62,-2.6 -2,-0.3 2,-0.9 -0.743 21.4-132.0 -89.8 125.7 11.8 6.4 16.5 24 24 A L E - f 0 85B 0 -15,-2.2 2,-0.6 -2,-0.5 62,-0.1 -0.689 34.9-175.3 -76.5 107.4 10.7 6.1 20.1 25 25 A N > + 0 0 0 60,-1.9 3,-1.7 -2,-0.9 62,-0.3 -0.841 28.7 176.1-118.1 97.8 8.4 3.1 19.7 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.691 86.7 65.6 -67.9 -15.4 6.3 1.8 22.7 27 27 A G T 3 S+ 0 0 4 -3,-0.1 177,-2.9 81,-0.1 2,-0.4 0.243 88.1 82.5 -90.7 13.4 4.9 -0.6 20.2 28 28 A A B < -L 203 0C 0 -3,-1.7 59,-2.6 175,-0.3 175,-0.3 -0.967 57.4-163.9-120.1 133.3 8.2 -2.4 19.7 29 29 A D S S+ 0 0 24 173,-2.6 59,-1.2 -2,-0.4 2,-0.2 0.867 80.3 32.5 -78.0 -37.5 9.5 -5.1 22.0 30 30 A D S S- 0 0 27 172,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.631 84.7-108.7-116.2 173.0 13.0 -4.8 20.6 31 31 A T - 0 0 1 43,-0.3 45,-2.8 -2,-0.2 2,-0.5 -0.908 34.3-170.8-104.4 122.8 15.2 -2.1 19.2 32 32 A V E -gH 76 84B 0 52,-1.8 52,-4.0 -2,-0.5 2,-0.3 -0.969 1.8-170.1-120.7 124.5 15.8 -2.4 15.5 33 33 A L E -g 77 0B 6 43,-3.1 45,-1.9 -2,-0.5 47,-0.3 -0.821 30.7 -95.8-115.9 153.1 18.3 -0.4 13.6 34 34 A E - 0 0 93 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.196 68.0 -65.7 -58.0 155.5 19.1 0.1 9.9 35 35 A E S S+ 0 0 106 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.133 72.0 151.1 -48.0 130.4 21.8 -2.1 8.5 36 36 A M - 0 0 52 -3,-0.2 2,-1.1 2,-0.0 -3,-0.1 -0.974 49.3-109.1-160.0 153.7 25.3 -1.3 9.9 37 37 A N + 0 0 154 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.707 41.7 175.3 -95.4 90.4 28.5 -3.2 10.6 38 38 A L - 0 0 24 -2,-1.1 2,-0.2 1,-0.1 -2,-0.0 -0.616 30.5-114.5 -90.8 151.6 28.8 -3.5 14.4 39 39 A P S S+ 0 0 111 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.547 70.7 49.4 -84.5 152.0 31.7 -5.5 15.9 40 40 A G S S- 0 0 60 -2,-0.2 2,-0.1 19,-0.1 -2,-0.1 -0.409 89.3 -50.2 113.0 169.9 31.0 -8.7 17.8 41 41 A K - 0 0 93 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.421 50.6-171.1 -79.3 156.9 29.1 -12.0 17.5 42 42 A W - 0 0 123 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.990 16.0-141.6-152.1 141.9 25.5 -12.1 16.5 43 43 A K E -I 58 0B 51 15,-1.2 15,-2.0 -2,-0.3 2,-0.1 -0.849 31.4-109.7-106.0 139.5 22.7 -14.7 16.2 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.434 43.7 178.6 -67.3 136.4 20.2 -14.7 13.4 45 45 A K E -I 56 0B 58 11,-2.6 11,-3.0 -2,-0.1 2,-0.5 -0.963 25.7-139.9-141.6 156.3 16.7 -13.8 14.4 46 46 A M E -I 55 0B 110 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 21.0-176.9-117.2 127.1 13.2 -13.3 12.9 47 47 A I E -I 54 0B 0 7,-2.1 7,-1.9 -2,-0.5 2,-0.3 -0.956 10.7-148.2-123.7 145.8 11.0 -10.4 14.0 48 48 A G E +Ij 53 202B 1 153,-1.7 155,-2.3 -2,-0.4 5,-0.2 -0.774 23.4 152.5-115.3 159.6 7.5 -9.7 12.9 49 49 A G E > -I 52 0B 7 3,-2.5 3,-1.2 -2,-0.3 155,-0.2 -0.726 63.1 -46.0-154.7-158.3 5.4 -6.6 12.4 50 50 A I T 3 S+ 0 0 7 155,-0.5 101,-0.2 153,-0.4 3,-0.1 0.850 131.4 38.5 -55.4 -44.8 2.5 -5.5 10.3 51 51 A G T 3 S- 0 0 25 99,-1.9 2,-0.3 101,-0.3 -1,-0.2 0.278 121.5 -91.3 -95.2 14.5 3.6 -6.8 6.9 52 52 A G E < -I 49 0B 28 -3,-1.2 -3,-2.5 98,-0.5 2,-0.3 -0.900 63.6 -30.8 119.9-149.0 5.1 -10.0 8.1 53 53 A F E -I 48 0B 107 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.752 39.2-170.1-113.9 159.2 8.6 -11.0 9.2 54 54 A I E -I 47 0B 26 -7,-1.9 -7,-2.1 -2,-0.3 2,-0.3 -0.983 27.0-117.7-143.2 146.9 12.2 -10.0 8.4 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.695 38.9 171.8 -87.7 139.9 15.5 -11.6 9.3 56 56 A V E -I 45 0B 2 -11,-3.0 -11,-2.6 -2,-0.3 2,-0.4 -0.854 32.1-111.8-137.7 173.0 17.8 -9.5 11.4 57 57 A R E -IK 44 77B 38 20,-2.7 20,-2.8 -2,-0.3 2,-0.5 -0.927 27.8-141.2-111.7 135.1 21.1 -9.9 13.3 58 58 A Q E -IK 43 76B 48 -15,-2.0 -15,-1.2 -2,-0.4 2,-0.4 -0.854 17.8-178.0-103.8 126.1 21.1 -9.7 17.1 59 59 A Y E - K 0 75B 8 16,-2.5 16,-3.0 -2,-0.5 3,-0.3 -0.949 12.1-154.0-117.9 137.9 23.9 -8.1 19.0 60 60 A D E + 0 0 82 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.573 68.0 23.0-106.0 172.3 23.9 -8.0 22.8 61 61 A Q E S+ 0 0 142 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.812 77.6 164.4 42.3 43.8 25.5 -5.6 25.3 62 62 A I E - K 0 73B 24 11,-2.4 11,-1.7 -3,-0.3 2,-0.3 -0.810 35.9-128.4 -95.1 125.5 25.6 -2.8 22.8 63 63 A P E + K 0 72B 86 0, 0.0 -47,-0.7 0, 0.0 2,-0.4 -0.540 34.4 172.2 -72.5 130.3 26.1 0.7 24.2 64 64 A V E -EK 15 71B 7 7,-3.1 7,-2.2 -2,-0.3 2,-0.6 -0.999 22.8-151.2-142.8 136.4 23.6 3.3 23.1 65 65 A E E -EK 14 70B 85 -51,-2.0 -51,-2.5 -2,-0.4 2,-0.6 -0.940 9.6-165.9-112.1 123.0 23.0 6.9 24.1 66 66 A I E > S-EK 13 69B 0 3,-2.7 3,-2.2 -2,-0.6 -53,-0.2 -0.919 72.2 -36.9-110.7 110.0 19.4 8.2 23.8 67 67 A C T 3 S- 0 0 63 -55,-2.2 -1,-0.2 -2,-0.6 -54,-0.1 0.899 127.5 -39.7 40.8 54.7 19.2 12.0 24.0 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -56,-0.1 -1,-0.3 0.469 114.9 116.5 79.7 1.7 21.9 12.1 26.7 69 69 A H E < - K 0 66B 64 -3,-2.2 -3,-2.7 2,-0.0 2,-0.2 -0.917 58.9-138.1-110.5 117.7 20.8 8.9 28.5 70 70 A K E + K 0 65B 87 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.508 32.1 159.8 -75.1 133.6 23.2 6.0 28.6 71 71 A A E - 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