==== 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 10-AUG-06 2I0D . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.N.L.NALAM,C.A.SCHIFFER,A.ALI,K.K.REDDY,H.CAO,S.G.ANJUM,T.M . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.9 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 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 6.1 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 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 . 2 4 1 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 72 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 159.9 27.6 22.2 34.5 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.901 360.0-159.9 -93.4 132.0 23.8 22.4 34.3 3 3 A I E -A 197 0A 32 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.956 3.3-156.9-121.2 119.0 22.7 25.6 32.4 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.416 17.8-130.2 -83.7 170.5 19.2 27.1 32.7 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.067 76.1 105.0-123.6 23.3 17.8 29.3 30.0 6 6 A W S S+ 0 0 188 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.729 95.1 33.5 -71.3 -21.6 16.5 32.4 31.7 7 7 A K S S- 0 0 65 -3,-0.3 -1,-0.0 180,-0.0 0, 0.0 -0.912 109.6 -80.6-124.7 158.3 19.6 34.0 30.2 8 8 A R - 0 0 116 -2,-0.3 2,-2.6 1,-0.1 119,-0.1 -0.322 45.7-118.3 -49.8 128.9 21.5 33.4 27.0 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.352 51.7 166.4 -75.1 68.2 23.8 30.3 27.4 10 10 A L E +D 23 0B 83 -2,-2.6 2,-0.3 13,-0.2 13,-0.2 -0.699 7.6 175.3 -85.5 131.6 27.0 32.2 26.8 11 11 A V E -D 22 0B 12 11,-2.9 11,-2.5 -2,-0.4 2,-0.4 -0.910 33.1-105.6-130.4 161.6 30.3 30.6 27.7 12 12 A T E -D 21 0B 61 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.723 35.3-170.5 -82.1 131.9 34.0 31.3 27.4 13 13 A I E -DE 20 66B 0 7,-2.8 7,-1.9 -2,-0.4 2,-0.5 -0.869 14.6-144.0-116.0 152.2 35.9 29.3 24.8 14 14 A R E +DE 19 65B 123 51,-1.8 51,-2.0 -2,-0.3 2,-0.4 -0.993 26.5 165.2-113.7 124.9 39.6 29.2 24.2 15 15 A I E > S-D 18 0B 1 3,-2.5 3,-1.5 -2,-0.5 49,-0.1 -0.957 70.9 -12.2-143.3 118.7 40.8 29.0 20.6 16 16 A G T 3 S- 0 0 64 47,-0.4 3,-0.1 -2,-0.4 48,-0.1 0.821 127.9 -56.3 60.9 31.0 44.3 29.6 19.5 17 17 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.508 115.4 116.8 81.1 6.4 45.2 31.0 22.9 18 18 A Q E < -D 15 0B 118 -3,-1.5 -3,-2.5 2,-0.0 2,-0.5 -0.859 58.2-139.1-109.1 142.1 42.4 33.5 22.6 19 19 A L E +D 14 0B 129 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.868 29.4 162.9-100.9 132.6 39.4 33.8 24.8 20 20 A K E -D 13 0B 51 -7,-1.9 -7,-2.8 -2,-0.5 2,-0.4 -0.917 35.9-118.2-137.0 158.9 36.0 34.6 23.3 21 21 A E E +D 12 0B 98 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.842 35.9 178.5 -95.4 141.5 32.4 34.4 24.4 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.5 -0.980 27.1-115.8-144.1 156.4 30.1 32.1 22.4 23 23 A L E -Df 10 84B 3 60,-2.6 62,-3.0 -2,-0.3 2,-0.8 -0.776 21.5-128.9 -99.4 123.6 26.5 31.0 22.5 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.674 36.1-173.6 -74.2 111.9 25.6 27.4 23.1 25 25 A D > + 0 0 17 60,-2.4 3,-2.0 -2,-0.8 62,-0.3 -0.792 25.2 176.7-124.2 89.2 23.2 26.9 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.770 84.4 61.9 -68.9 -21.3 21.3 23.6 19.9 27 27 A G T 3 S+ 0 0 21 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.389 89.6 85.7 -82.0 5.5 19.4 25.0 16.8 28 28 A A < - 0 0 13 -3,-2.0 59,-2.9 57,-0.2 60,-0.2 -0.928 58.1-165.1-111.6 120.6 22.7 25.3 14.9 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.876 78.6 42.2 -60.5 -40.6 24.1 22.3 13.0 30 30 A D S S- 0 0 65 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.860 81.0-119.1-122.6 146.6 27.5 24.1 12.7 31 31 A T - 0 0 0 43,-0.4 45,-2.3 -2,-0.3 2,-0.4 -0.698 35.3-177.0 -81.0 123.2 29.8 26.1 14.9 32 32 A V E -gH 76 84B 3 52,-1.5 52,-2.8 -2,-0.5 2,-0.3 -0.993 4.2-168.1-129.5 125.0 30.3 29.5 13.3 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.3 -2,-0.4 47,-0.2 -0.826 27.1-103.2-113.7 149.0 32.6 32.2 14.7 34 34 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.137 67.4 -54.2 -61.0 164.5 32.9 35.9 13.8 35 35 A E S S+ 0 0 116 43,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.094 79.6 138.5 -47.6 130.5 35.8 37.1 11.7 36 36 A M - 0 0 21 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -0.944 53.0-100.1-163.7 162.6 39.1 36.0 13.1 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.839 38.0 173.5 -92.9 128.2 42.5 34.6 11.9 38 38 A L - 0 0 20 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.976 28.0-118.4-127.1 149.3 43.0 30.8 12.2 39 39 A P + 0 0 105 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.346 66.8 37.5 -83.9 166.8 46.0 29.0 10.7 40 40 A G S S- 0 0 65 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.169 96.9 -34.3 90.0-179.3 46.1 26.2 8.1 41 41 A K - 0 0 95 19,-0.0 19,-0.5 -2,-0.0 2,-0.3 -0.491 55.1-172.5 -78.6 140.4 44.1 25.6 5.0 42 42 A W E -I 59 0B 125 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.844 13.5-139.6-123.2 163.4 40.5 26.6 4.8 43 43 A K E -I 58 0B 44 15,-1.6 15,-2.8 -2,-0.3 2,-0.1 -0.989 25.0-111.5-121.5 139.2 37.8 26.0 2.1 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.453 46.0 169.2 -65.0 136.0 35.2 28.4 0.9 45 45 A K E -I 56 0B 94 11,-2.3 11,-2.8 -2,-0.1 2,-0.4 -0.947 26.4-142.2-141.5 158.8 31.7 27.4 2.0 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 19.1-173.7-123.6 142.5 28.2 28.9 2.0 47 47 A I E -I 54 0B 14 7,-2.3 7,-2.6 -2,-0.4 2,-0.2 -0.975 15.9-129.7-135.0 150.4 25.7 28.4 4.8 48 48 A G E +I 53 0B 36 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.547 27.0 165.2 -92.9 157.5 22.0 29.3 5.3 49 49 A G E > -I 52 0B 29 3,-1.5 3,-0.9 -2,-0.2 102,-0.1 -0.864 56.0 -72.6-150.3-167.3 20.4 31.0 8.2 50 50 A I T 3 S+ 0 0 35 -2,-0.3 101,-0.2 1,-0.2 3,-0.1 0.763 129.4 40.9 -64.5 -28.3 17.1 32.7 9.1 51 51 A G T 3 S- 0 0 24 99,-2.9 2,-0.3 1,-0.4 100,-0.3 0.472 124.1 -78.4-102.0 -4.3 18.0 35.8 7.0 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-1.5 98,-0.6 -1,-0.4 -0.911 64.7 -43.0 137.1-159.9 19.6 34.2 4.0 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.800 45.5-171.0-114.7 148.2 22.9 32.6 3.0 54 54 A I E -I 47 0B 23 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.4 -0.871 25.0-114.1-133.8 157.9 26.4 33.8 3.7 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.800 38.8 173.4 -90.2 139.5 30.0 32.8 2.7 56 56 A V E -I 45 0B 5 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.5 -0.899 32.2-117.5-135.1 164.6 32.2 31.4 5.4 57 57 A R E -IJ 44 77B 44 20,-2.5 20,-2.3 -2,-0.3 2,-0.6 -0.946 27.3-142.6-104.8 132.1 35.7 29.9 5.6 58 58 A Q E -IJ 43 76B 43 -15,-2.8 -15,-1.6 -2,-0.5 2,-0.5 -0.829 17.4-175.5-101.1 117.1 35.8 26.3 6.7 59 59 A Y E -IJ 42 75B 8 16,-2.8 16,-2.5 -2,-0.6 3,-0.3 -0.938 13.7-149.5-108.7 129.9 38.7 25.2 9.0 60 60 A D E + 0 0 85 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.701 66.7 13.2-101.8 153.9 38.9 21.5 10.0 61 61 A Q E S+ 0 0 140 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.897 77.0 164.4 53.2 51.3 40.3 19.9 13.1 62 62 A I E - J 0 73B 19 11,-3.0 11,-2.3 -3,-0.3 2,-0.4 -0.863 34.5-129.3 -97.1 126.2 40.5 23.0 15.2 63 63 A P E + J 0 72B 81 0, 0.0 -47,-0.4 0, 0.0 2,-0.4 -0.615 32.0 170.8 -70.0 128.8 40.9 22.7 19.0 64 64 A I E - J 0 71B 3 7,-2.2 7,-2.6 -2,-0.4 2,-0.6 -0.992 24.1-150.5-134.2 136.4 38.5 24.6 21.1 65 65 A E E -EJ 14 70B 76 -51,-2.0 -51,-1.8 -2,-0.4 2,-0.6 -0.933 17.8-161.8-104.8 117.5 38.0 24.3 24.8 66 66 A I E > -EJ 13 69B 0 3,-3.5 3,-2.7 -2,-0.6 -53,-0.2 -0.892 68.4 -31.4-110.5 113.7 34.4 25.2 25.6 67 67 A C T 3 S- 0 0 54 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.877 130.0 -42.2 42.3 45.9 33.7 26.0 29.3 68 68 A G T 3 S+ 0 0 58 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.305 117.5 111.3 93.6 -7.8 36.5 23.7 30.3 69 69 A H E < - J 0 66B 65 -3,-2.7 -3,-3.5 0, 0.0 2,-0.3 -0.883 63.4-128.2-109.8 130.5 35.7 20.8 27.8 70 70 A K E + J 0 65B 77 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.537 29.4 171.6 -84.5 130.3 38.0 19.9 24.9 71 71 A A E - J 0 64B 4 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.3 -0.943 14.9-167.1-125.2 155.1 36.7 19.7 21.4 72 72 A I E + J 0 63B 89 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.910 44.4 85.6-139.9 113.2 38.5 19.2 18.1 73 73 A G E - 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