==== 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 20-SEP-02 1MT9 . 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 . 208 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 37.0 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 . 26 12.5 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 2 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 0 PARALLEL BRIDGES PER LADDER . 3 3 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 89 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 177.3 11.9 15.4 29.5 2 2 A Q E -A 198 0A 122 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.970 360.0-158.8-119.1 117.6 8.3 15.2 28.3 3 3 A I E -A 197 0A 41 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.854 6.0-152.3-100.4 119.0 7.7 14.1 24.7 4 4 A T - 0 0 72 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.419 13.2-133.5 -82.2 164.5 4.4 15.0 23.1 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.160 72.8 108.9-110.7 22.4 3.0 12.9 20.3 6 6 A W S S+ 0 0 197 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.831 93.8 23.2 -62.9 -31.5 1.9 15.4 17.7 7 7 A K S S- 0 0 64 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.818 112.3 -69.1-127.8 168.1 4.9 14.2 15.6 8 8 A R - 0 0 110 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.356 53.5-115.8 -58.8 133.5 6.8 11.0 15.6 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.493 49.4 170.7 -76.0 81.0 8.9 10.7 18.9 10 10 A L E +D 23 0B 89 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.734 4.6 171.4 -94.4 138.0 12.4 10.8 17.4 11 11 A V E -D 22 0B 10 11,-2.6 11,-3.2 -2,-0.4 2,-0.3 -0.946 34.8-103.7-140.9 161.2 15.4 11.2 19.6 12 12 A T E -D 21 0B 68 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.678 38.0-176.5 -87.4 139.1 19.2 11.0 19.1 13 13 A I E -DE 20 66B 4 7,-2.8 7,-2.5 -2,-0.3 2,-0.5 -0.937 19.9-138.2-132.8 156.0 21.0 7.9 20.3 14 14 A R E +DE 19 65B 28 51,-2.5 51,-2.2 -2,-0.3 2,-0.3 -0.975 31.2 160.0-118.2 124.3 24.6 6.9 20.5 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-1.2 -2,-0.5 49,-0.1 -0.986 64.8 -8.6-146.9 132.2 25.5 3.4 19.5 16 16 A G T 3 S- 0 0 51 47,-0.6 3,-0.1 -2,-0.3 -1,-0.1 0.856 130.1 -50.1 50.5 42.4 28.9 1.9 18.4 17 17 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.732 118.7 106.2 71.6 22.5 30.5 5.2 18.1 18 18 A Q E < -D 15 0B 95 -3,-1.2 -3,-2.4 2,-0.0 2,-0.5 -0.949 61.8-136.5-134.2 154.5 27.7 6.7 16.0 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.931 32.2 167.4-110.1 131.0 24.8 9.1 16.5 20 20 A K E -D 13 0B 40 -7,-2.5 -7,-2.8 -2,-0.5 2,-0.5 -0.961 37.4-115.1-142.0 158.5 21.5 8.2 15.0 21 21 A E E -D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.829 39.6-178.9 -94.2 126.9 17.8 9.3 15.1 22 22 A A E -D 11 0B 0 -11,-3.2 -11,-2.6 -2,-0.5 2,-0.4 -0.956 26.3-121.4-130.5 150.2 15.6 6.6 16.6 23 23 A L E -Df 10 84B 8 60,-2.6 62,-2.8 -2,-0.3 2,-0.8 -0.758 21.7-130.1 -91.4 127.0 11.9 6.4 17.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.1 -0.709 35.4-174.1 -77.2 113.0 10.7 5.8 20.8 25 25 A N > + 0 0 0 60,-2.5 3,-1.6 -2,-0.8 62,-0.3 -0.864 28.5 177.4-121.8 98.4 8.4 2.9 20.3 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.608 85.8 66.7 -70.8 -9.8 6.2 1.5 23.1 27 27 A G T 3 S+ 0 0 0 81,-0.1 178,-2.7 96,-0.1 2,-0.4 0.307 88.4 79.7 -92.8 8.3 4.8 -0.8 20.5 28 28 A A B < -L 204 0C 0 -3,-1.6 59,-2.7 176,-0.3 176,-0.3 -0.967 58.1-163.3-120.1 128.9 8.1 -2.7 20.1 29 29 A D S S+ 0 0 35 174,-3.3 59,-1.2 -2,-0.4 2,-0.2 0.866 80.5 35.5 -72.9 -36.2 9.4 -5.4 22.4 30 30 A D S S- 0 0 41 173,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.649 84.1-110.5-115.3 170.3 12.9 -5.1 21.0 31 31 A T - 0 0 3 43,-0.4 45,-2.7 -2,-0.2 2,-0.5 -0.887 34.1-172.6-102.3 125.4 15.2 -2.4 19.7 32 32 A V E -gH 76 84B 0 52,-1.8 52,-3.5 -2,-0.5 2,-0.3 -0.978 2.2-168.5-126.2 126.5 15.9 -2.6 16.0 33 33 A L E -g 77 0B 5 43,-3.0 45,-1.9 -2,-0.5 47,-0.3 -0.826 30.5-100.0-112.9 151.0 18.4 -0.5 14.1 34 34 A E E -g 78 0B 84 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.283 67.5 -61.9 -64.0 152.6 18.9 -0.1 10.3 35 35 A E S S+ 0 0 116 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.001 70.9 156.4 -39.2 127.9 21.7 -2.2 8.8 36 36 A M - 0 0 14 -3,-0.2 2,-1.5 2,-0.1 -3,-0.1 -0.956 47.4-113.1-158.1 140.8 25.1 -1.2 10.3 37 37 A N + 0 0 103 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.573 43.9 171.8 -82.9 85.3 28.4 -3.1 10.5 38 38 A L - 0 0 21 -2,-1.5 -2,-0.1 1,-0.1 2,-0.0 -0.708 29.4-123.0 -92.3 141.8 28.9 -3.6 14.3 39 39 A P + 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.339 64.8 62.1 -78.7 166.7 31.7 -5.8 15.5 40 40 A G S S- 0 0 60 -2,-0.0 2,-0.1 19,-0.0 -2,-0.1 -0.224 86.9 -55.0 106.6 163.0 31.1 -8.9 17.7 41 41 A K - 0 0 93 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.403 54.6-179.7 -75.2 153.2 29.3 -12.2 17.6 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.937 20.1-133.9-147.7 168.7 25.6 -12.3 16.7 43 43 A K E -I 58 0B 42 15,-1.4 15,-2.9 -2,-0.3 2,-0.1 -0.980 27.8-110.3-130.4 142.0 22.7 -14.7 16.3 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.417 44.2 169.6 -69.1 144.2 20.1 -14.9 13.5 45 45 A K E -I 56 0B 76 11,-1.9 11,-2.9 -2,-0.1 2,-0.5 -0.990 29.4-137.9-154.9 156.4 16.6 -14.0 14.5 46 46 A M E -I 55 0B 106 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.977 21.2-178.2-119.5 129.3 13.2 -13.3 12.9 47 47 A I E -I 54 0B 3 7,-2.0 7,-2.3 -2,-0.5 2,-0.3 -0.949 8.5-166.7-125.1 148.7 11.0 -10.5 14.2 48 48 A G E +Ij 53 202B 0 153,-0.9 156,-2.2 -2,-0.4 155,-1.5 -0.807 22.5 136.0-133.5 174.4 7.5 -9.5 13.0 49 49 A G E > -I 52 0B 6 3,-1.7 3,-1.6 -2,-0.3 156,-0.2 -0.879 66.8 -3.5-179.7-151.4 4.8 -7.0 13.0 50 50 A I T 3 S+ 0 0 0 156,-0.4 101,-2.0 154,-0.3 102,-0.6 -0.403 130.4 19.4 -63.1 130.8 2.4 -5.5 10.4 51 51 A G T 3 S- 0 0 36 128,-0.4 2,-0.3 100,-0.2 -1,-0.2 0.090 121.5 -80.4 98.6 -24.7 3.2 -6.8 7.0 52 52 A G E < -I 49 0B 27 -3,-1.6 -3,-1.7 100,-0.2 2,-0.3 -0.947 64.5 -35.6 134.0-153.7 5.2 -9.9 8.1 53 53 A F E -I 48 0B 102 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.811 37.4-163.6-115.0 154.4 8.6 -10.9 9.3 54 54 A I E -I 47 0B 21 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.4 -0.964 25.2-116.1-132.7 150.9 12.2 -9.7 8.6 55 55 A K E +I 46 0B 66 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.725 39.9 173.6 -89.0 133.3 15.5 -11.4 9.3 56 56 A V E -I 45 0B 6 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.5 -0.884 32.1-116.2-135.5 166.4 17.8 -9.6 11.7 57 57 A R E -IK 44 77B 49 20,-3.2 20,-2.6 -2,-0.3 2,-0.6 -0.900 28.2-141.7-105.2 130.7 21.1 -10.1 13.5 58 58 A Q E -IK 43 76B 43 -15,-2.9 -15,-1.4 -2,-0.5 2,-0.4 -0.834 17.4-175.5-100.1 122.6 21.0 -10.1 17.3 59 59 A Y E - K 0 75B 4 16,-2.7 16,-2.8 -2,-0.6 3,-0.3 -0.941 13.5-146.8-114.4 134.7 23.8 -8.5 19.4 60 60 A D E + 0 0 90 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.695 67.2 9.9-104.5 155.6 23.9 -8.7 23.1 61 61 A Q E S+ 0 0 129 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.882 75.5 165.9 48.1 53.4 25.1 -6.3 25.8 62 62 A I E - K 0 73B 30 11,-2.8 11,-1.7 -3,-0.3 2,-0.2 -0.858 36.9-124.8-100.2 125.1 25.6 -3.3 23.5 63 63 A P E + K 0 72B 89 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.508 34.9 176.9 -69.6 130.8 26.0 0.1 25.2 64 64 A V E -EK 15 71B 10 7,-2.7 7,-1.5 -2,-0.2 2,-0.5 -0.983 18.3-154.5-140.0 125.4 23.5 2.6 23.9 65 65 A E E -EK 14 70B 77 -51,-2.2 -51,-2.5 -2,-0.4 2,-0.6 -0.878 9.2-166.2-102.3 129.0 23.0 6.2 25.1 66 66 A I E > S-EK 13 69B 0 3,-3.4 3,-2.1 -2,-0.5 -53,-0.2 -0.929 71.3 -31.0-119.5 108.2 19.5 7.7 24.6 67 67 A C T 3 S- 0 0 59 -55,-1.7 -1,-0.1 -2,-0.6 -54,-0.1 0.895 127.1 -45.7 52.2 43.5 19.2 11.5 25.0 68 68 A G T 3 S+ 0 0 56 1,-0.2 2,-0.6 -56,-0.1 -1,-0.3 0.364 116.5 117.7 84.3 -7.1 22.0 11.4 27.6 69 69 A H E < - K 0 66B 67 -3,-2.1 -3,-3.4 24,-0.0 -1,-0.2 -0.855 59.7-137.8 -98.5 120.6 20.6 8.4 29.4 70 70 A K E + K 0 65B 172 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.502 30.8 160.7 -80.3 143.5 22.8 5.4 29.4 71 71 A A E - 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