==== 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 23-OCT-06 2NMZ . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.TIE,A.Y.KOVALEVSKY,P.BOROSS,Y.F.WANG,A.K.GHOSH,J.TOZSER, . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.8 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 . 73 36.7 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.0 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 2 3 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 92 0, 0.0 198,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.9 13.7 14.2 29.7 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.984 360.0-163.9-121.8 129.6 17.2 14.3 28.3 3 3 A I E -A 197 0A 35 194,-3.0 194,-2.6 -2,-0.4 2,-0.1 -0.970 8.0-150.9-118.8 119.0 17.8 15.2 24.7 4 4 A T - 0 0 63 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.307 14.7-130.4 -77.6 171.4 21.2 14.4 23.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.151 74.7 107.6-119.2 18.3 22.5 16.6 20.3 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.830 94.4 22.9 -61.5 -33.5 23.5 14.0 17.7 7 7 A K S S- 0 0 164 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.799 112.9 -69.6-123.2 167.1 20.5 15.1 15.7 8 8 A R - 0 0 134 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.344 52.3-117.8 -56.8 134.6 18.6 18.4 15.7 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.467 49.5 169.8 -82.7 78.6 16.6 18.5 19.0 10 10 A L E +D 23 0B 93 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.715 6.4 172.6 -92.5 136.5 13.1 18.5 17.5 11 11 A V E -D 22 0B 15 11,-2.4 11,-2.7 -2,-0.4 2,-0.4 -0.912 36.4 -97.8-134.3 163.9 10.0 18.1 19.7 12 12 A T E -D 21 0B 62 -2,-0.3 55,-2.7 9,-0.2 56,-0.3 -0.695 40.3-174.8 -83.5 136.2 6.3 18.3 19.1 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.2 -2,-0.4 2,-0.4 -0.856 17.8-144.2-122.8 159.5 4.6 21.6 20.1 14 14 A K E +DE 19 65B 83 51,-2.1 51,-1.7 -2,-0.3 2,-0.3 -0.994 31.1 155.4-125.3 124.4 1.0 22.7 20.1 15 15 A I E > +DE 18 64B 1 3,-2.5 3,-2.0 -2,-0.4 49,-0.1 -0.990 65.5 0.7-148.9 135.2 0.2 26.3 19.2 16 16 A G T 3 S- 0 0 53 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.783 130.0 -57.1 61.6 22.8 -3.0 27.9 17.8 17 17 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.555 116.7 108.1 81.7 9.9 -4.7 24.5 17.8 18 18 A Q E < -D 15 0B 95 -3,-2.0 -3,-2.5 2,-0.0 2,-0.4 -0.935 64.2-132.7-124.1 143.6 -2.1 22.9 15.6 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.780 35.4 165.4 -89.3 135.6 0.7 20.3 16.2 20 20 A K E -D 13 0B 40 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.4 -0.932 36.7-114.7-140.9 163.5 4.1 21.3 14.8 21 21 A E E -D 12 0B 100 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.869 38.6-179.4-100.3 137.5 7.7 20.1 15.1 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.5 -0.981 27.5-117.0-143.5 153.0 10.1 22.7 16.6 23 23 A L E -Df 10 84B 13 60,-2.9 62,-2.8 -2,-0.3 2,-0.7 -0.761 21.9-133.6 -91.3 123.4 13.8 23.0 17.4 24 24 A L E - f 0 85B 2 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.683 35.2-171.9 -79.2 110.8 14.8 23.5 21.1 25 25 A D > + 0 0 1 60,-2.7 3,-1.6 -2,-0.7 62,-0.3 -0.849 31.7 179.6-125.3 100.4 17.3 26.3 20.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.707 87.8 60.6 -68.9 -19.8 19.6 27.7 23.4 27 27 A G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.445 88.3 85.9 -84.0 -4.2 21.1 30.1 20.9 28 28 A A < - 0 0 0 -3,-1.6 59,-3.0 57,-0.2 60,-0.2 -0.877 55.4-165.7-102.1 127.3 17.8 31.9 20.1 29 29 A D S S+ 0 0 33 172,-2.7 59,-1.0 -2,-0.5 2,-0.2 0.837 77.7 40.1 -68.8 -35.4 16.6 34.7 22.3 30 30 A D S S- 0 0 41 171,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.688 81.5-115.2-116.9 162.5 13.1 34.5 20.8 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.5 -0.908 32.8-171.2-102.7 125.4 10.6 31.9 19.7 32 32 A V E -gH 76 84B 0 52,-1.7 52,-2.9 -2,-0.5 2,-0.4 -0.985 1.4-169.1-126.9 123.6 9.9 32.0 15.9 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.0 -2,-0.5 3,-0.2 -0.890 30.0-102.4-118.9 138.7 7.2 30.0 14.2 34 34 A E E -g 78 0B 79 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.230 64.3 -65.0 -55.3 148.0 6.6 29.4 10.6 35 35 A E S S+ 0 0 109 43,-1.1 2,-0.3 45,-0.1 -1,-0.2 0.043 71.8 154.1 -40.3 124.3 3.8 31.5 9.0 36 36 A M - 0 0 14 -3,-0.2 2,-1.8 2,-0.1 -3,-0.1 -0.978 52.0-105.9-154.9 154.6 0.5 30.5 10.4 37 37 A S + 0 0 118 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.430 45.5 174.9 -90.8 69.6 -2.8 32.4 10.8 38 38 A L - 0 0 16 -2,-1.8 2,-0.1 1,-0.1 -2,-0.1 -0.472 28.9-118.0 -74.2 139.5 -2.8 33.2 14.5 39 39 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.335 62.2 23.7 -78.5 158.6 -5.7 35.4 15.6 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.0 19,-0.0 -2,-0.0 -0.192 91.7 -21.5 93.2-174.2 -5.7 38.8 17.2 41 41 A R + 0 0 237 -2,-0.0 19,-0.3 19,-0.0 2,-0.3 -0.318 54.3 174.6 -74.2 154.7 -3.4 41.8 17.4 42 42 A W - 0 0 122 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.941 23.9-126.8-150.6 166.8 0.3 41.8 16.8 43 43 A K E -I 58 0B 141 15,-1.9 15,-2.8 -2,-0.3 13,-0.1 -0.967 30.5-109.1-123.6 136.5 3.2 44.2 16.5 44 44 A P E +I 57 0B 97 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.365 44.7 170.2 -63.5 142.4 5.7 44.5 13.6 45 45 A K E -I 56 0B 75 11,-2.0 11,-2.7 -2,-0.0 2,-0.4 -0.988 27.6-147.8-148.6 152.5 9.2 43.3 14.4 46 46 A M E -I 55 0B 105 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 19.7-173.5-121.4 133.7 12.5 42.6 12.6 47 47 A I E -I 54 0B 6 7,-2.3 7,-2.5 -2,-0.4 2,-0.2 -0.947 4.0-162.6-127.0 144.8 14.7 39.8 14.0 48 48 A G E +I 53 0B 4 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.713 23.3 137.7-121.5 175.7 18.2 38.9 12.8 49 49 A G E > -I 52 0B 6 3,-1.3 3,-1.9 -2,-0.2 2,-0.1 -0.893 69.2 -8.6-179.3-151.4 20.8 36.1 13.0 50 50 A I T 3 S+ 0 0 22 -2,-0.3 101,-2.5 1,-0.3 102,-0.7 -0.382 132.5 21.3 -62.6 132.1 23.1 34.5 10.4 51 51 A G T 3 S- 0 0 31 100,-0.3 2,-0.3 99,-0.2 -1,-0.3 0.190 120.4 -83.5 95.0 -19.1 22.3 35.9 7.0 52 52 A G E < -I 49 0B 26 -3,-1.9 -3,-1.3 100,-0.2 2,-0.3 -0.882 65.6 -30.3 123.7-157.6 20.5 39.1 8.1 53 53 A F E -I 48 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.734 38.4-162.5-108.7 153.1 17.0 40.1 9.2 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.4 -0.938 25.5-115.0-127.4 155.5 13.5 38.9 8.6 55 55 A K E +I 46 0B 159 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.776 41.4 171.6 -88.7 131.1 10.1 40.6 9.2 56 56 A V E -I 45 0B 8 -11,-2.7 -11,-2.0 -2,-0.4 2,-0.5 -0.894 34.3-118.7-136.6 163.6 7.9 38.9 11.7 57 57 A R E -IJ 44 77B 46 20,-2.7 20,-2.4 -2,-0.3 2,-0.7 -0.931 28.0-141.1-103.0 125.4 4.6 39.5 13.6 58 58 A Q E -IJ 43 76B 36 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.5 -0.798 19.3-174.2 -92.9 118.2 5.0 39.7 17.3 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.5 -2,-0.7 3,-0.3 -0.938 10.2-151.6-111.2 128.9 2.2 38.0 19.2 60 60 A D E + 0 0 87 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.636 68.0 16.5-100.8 155.2 2.1 38.2 23.0 61 61 A Q E S+ 0 0 138 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.884 77.8 161.3 54.3 45.5 0.6 35.9 25.6 62 62 A I E - J 0 73B 28 11,-2.7 11,-2.2 -3,-0.3 2,-0.5 -0.774 36.0-130.6 -89.8 134.8 0.4 32.9 23.2 63 63 A I E + J 0 72B 108 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.728 28.9 177.9 -90.9 130.1 0.1 29.5 24.8 64 64 A I E -EJ 15 71B 0 7,-1.6 7,-2.6 -2,-0.5 2,-0.4 -0.813 21.5-150.3-113.7 154.9 2.4 26.8 23.6 65 65 A E E -EJ 14 70B 55 -51,-1.7 -51,-2.1 -2,-0.3 2,-0.5 -0.993 17.1-166.2-114.6 131.7 2.7 23.3 24.7 66 66 A I E > -EJ 13 69B 0 3,-2.9 3,-2.2 -2,-0.4 -53,-0.2 -0.962 69.6 -27.7-125.0 109.6 6.3 22.1 24.2 67 67 A A T 3 S- 0 0 38 -55,-2.7 -1,-0.1 -2,-0.5 -54,-0.1 0.885 128.8 -47.2 51.8 41.2 7.0 18.4 24.5 68 68 A G T 3 S+ 0 0 49 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.434 116.0 116.3 83.2 -2.5 4.0 18.2 26.9 69 69 A H E < - J 0 66B 67 -3,-2.2 -3,-2.9 1,-0.0 -1,-0.2 -0.896 62.2-129.5-104.6 128.3 5.0 21.2 29.0 70 70 A K E + J 0 65B 164 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.437 33.6 164.8 -75.5 147.3 2.7 24.2 29.1 71 71 A A E - 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