==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-05 2BBB . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.B.SMITH III,A.K.CHARNLEY,L.C.KUO,S.MUNSHI . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 23 11.6 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 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 . 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 89 0, 0.0 198,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 172.1 -0.8 3.8 4.9 2 2 A Q E -A 198 0A 141 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.953 360.0-155.8-109.2 122.5 -0.5 6.3 2.1 3 3 A I E -A 197 0A 30 194,-2.8 194,-2.1 -2,-0.6 2,-0.0 -0.891 7.3-139.4-107.1 122.0 0.5 9.7 3.3 4 4 A T - 0 0 61 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.304 3.5-145.8 -71.3 157.9 -0.4 12.8 1.2 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.177 76.6 100.1-110.3 15.4 2.1 15.6 0.8 6 6 A W S S+ 0 0 180 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.811 98.0 24.3 -66.0 -29.6 -0.5 18.4 0.7 7 7 A Q S S- 0 0 126 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.828 112.7 -73.7-126.1 166.9 0.6 18.9 4.4 8 8 A R - 0 0 109 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.392 51.9-116.1 -60.2 137.0 3.8 18.0 6.2 9 9 A P + 0 0 2 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.578 48.3 174.5 -81.1 86.7 3.9 14.2 6.6 10 10 A L E +D 23 0B 68 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.741 5.2 174.6 -97.4 141.4 3.8 14.1 10.4 11 11 A V E -D 22 0B 11 11,-2.5 11,-2.7 -2,-0.3 2,-0.4 -0.914 33.0-106.5-139.3 164.7 3.5 10.9 12.4 12 12 A T E -D 21 0B 87 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.787 37.0-172.3 -94.8 135.2 3.6 9.8 16.1 13 13 A I E -DE 20 66B 1 7,-2.8 7,-2.2 -2,-0.4 2,-0.5 -0.864 16.5-143.1-124.3 160.9 6.7 8.0 17.2 14 14 A K E +DE 19 65B 101 51,-2.3 51,-2.0 -2,-0.3 2,-0.3 -0.991 31.4 153.2-127.1 121.7 7.6 6.3 20.5 15 15 A I E > -D 18 0B 3 3,-2.3 3,-1.0 -2,-0.5 49,-0.1 -0.952 65.1 -0.8-152.6 128.2 11.2 6.5 21.8 16 16 A G T 3 S- 0 0 58 47,-0.4 3,-0.1 -2,-0.3 21,-0.1 0.830 129.2 -55.4 64.1 32.2 12.6 6.3 25.3 17 17 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.609 117.3 103.8 77.4 12.7 9.1 5.8 26.8 18 18 A Q E < -D 15 0B 90 -3,-1.0 -3,-2.3 2,-0.0 2,-0.5 -0.963 65.0-130.1-133.3 148.2 7.7 8.9 25.3 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.795 32.6 173.1 -95.0 130.4 5.4 9.9 22.4 20 20 A K E -D 13 0B 39 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.5 -0.918 32.6-118.7-134.6 159.9 6.6 12.6 20.0 21 21 A E E -D 12 0B 121 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.848 39.0-179.6 -97.9 132.9 5.5 14.1 16.7 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.5 -0.979 27.0-124.3-138.8 152.3 8.0 13.8 13.9 23 23 A L E -Df 10 84B 3 60,-3.2 62,-3.0 -2,-0.3 2,-0.7 -0.789 22.1-133.2 -94.5 125.8 8.4 14.7 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.2 -0.699 31.0-172.4 -78.4 116.0 9.0 11.9 7.7 25 25 A D > + 0 0 15 60,-2.9 3,-1.6 -2,-0.7 62,-0.4 -0.870 26.4 179.5-122.1 102.6 11.9 13.3 5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.669 86.5 65.0 -68.6 -16.9 13.1 11.6 2.5 27 27 A G T 3 S+ 0 0 17 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.330 88.5 82.5 -88.2 7.8 15.6 14.4 2.1 28 28 A A < - 0 0 16 -3,-1.6 59,-3.2 57,-0.2 60,-0.2 -0.958 59.0-160.5-118.7 127.2 17.5 13.5 5.4 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.893 80.5 28.7 -64.6 -42.6 20.1 10.7 5.6 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.571 82.0-107.6-116.2 176.9 19.7 10.5 9.4 31 31 A T - 0 0 0 43,-0.5 45,-3.2 -2,-0.2 2,-0.4 -0.918 32.3-176.4-109.2 128.0 17.1 11.0 12.1 32 32 A V E -gH 76 84B 6 52,-1.6 52,-2.9 -2,-0.5 2,-0.3 -0.991 1.3-172.5-131.6 128.2 17.5 14.0 14.4 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.832 32.6 -95.1-117.2 155.6 15.3 14.7 17.4 34 34 A E S S- 0 0 92 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.194 72.4 -54.4 -61.9 160.2 15.0 17.7 19.7 35 35 A E S S+ 0 0 115 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.045 80.5 136.2 -42.4 125.4 17.0 17.6 22.9 36 36 A M - 0 0 18 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.955 53.4 -96.2-162.9 166.2 16.2 14.6 25.0 37 37 A S + 0 0 101 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.758 37.2 178.4 -97.0 139.7 18.0 11.9 27.0 38 38 A L - 0 0 11 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.971 27.5-111.6-135.9 151.0 18.9 8.6 25.5 39 39 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.424 71.8 31.6 -81.7 158.1 20.8 5.6 27.0 40 40 A G S S- 0 0 39 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.307 95.1 -40.9 93.9-178.7 24.2 4.4 26.0 41 41 A R - 0 0 215 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.377 54.1-166.4 -82.3 164.1 27.3 6.1 24.7 42 42 A W E -I 59 0B 110 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.974 12.1-146.4-149.0 160.3 27.3 8.9 22.1 43 43 A K E -I 58 0B 149 15,-1.5 15,-2.8 -2,-0.3 2,-0.1 -0.977 29.3-107.4-130.5 143.3 29.7 10.8 19.7 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.370 41.8 173.2 -69.4 147.1 29.6 14.4 18.6 45 45 A K E -I 56 0B 71 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.986 24.6-139.9-152.6 155.3 28.5 15.2 15.0 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 16.3-174.2-122.7 127.2 27.7 18.2 12.8 47 47 A I E -I 54 0B 31 7,-2.2 7,-2.2 -2,-0.4 2,-0.4 -0.961 9.6-167.6-120.5 138.7 24.9 18.2 10.3 48 48 A G E +I 53 0B 35 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.968 23.7 118.5-135.4 147.1 24.3 21.1 7.9 49 49 A G E > +I 52 0B 21 3,-2.2 3,-2.3 -2,-0.4 2,-0.2 -0.640 67.1 7.0-161.6-141.3 21.7 22.4 5.5 50 50 A I T 3 S+ 0 0 19 1,-0.3 101,-2.2 -2,-0.2 102,-0.6 -0.400 132.9 15.1 -59.6 124.6 19.5 25.5 5.0 51 51 A G T 3 S- 0 0 33 128,-0.4 -1,-0.3 100,-0.2 2,-0.3 0.295 122.8 -86.0 93.8 -11.9 20.6 28.0 7.6 52 52 A G E < -I 49 0B 26 -3,-2.3 -3,-2.2 100,-0.1 2,-0.2 -0.745 63.4 -31.8 116.2-162.3 23.9 26.3 8.5 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.666 39.0-164.4-103.9 155.0 25.1 23.6 10.8 54 54 A I E -I 47 0B 19 -7,-2.2 -7,-2.2 -2,-0.2 2,-0.4 -0.972 22.6-122.6-134.1 148.8 24.0 22.4 14.2 55 55 A K E +I 46 0B 109 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.782 36.2 175.7 -93.3 136.3 25.9 20.1 16.6 56 56 A V E -I 45 0B 2 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.901 31.5-116.0-136.9 164.2 24.2 16.9 17.7 57 57 A R E -IJ 44 77B 44 20,-2.8 20,-2.2 -2,-0.3 2,-0.6 -0.893 27.6-142.9-103.5 131.0 24.9 13.9 19.8 58 58 A Q E -IJ 43 76B 48 -15,-2.8 -15,-1.5 -2,-0.5 2,-0.4 -0.848 17.9-176.9-100.1 116.7 24.9 10.6 17.9 59 59 A Y E -IJ 42 75B 11 16,-2.4 16,-2.7 -2,-0.6 3,-0.3 -0.933 13.4-150.5-110.5 132.6 23.5 7.5 19.7 60 60 A D E + 0 0 84 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.621 67.3 21.3-102.8 162.8 23.6 4.2 17.9 61 61 A Q E S+ 0 0 163 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.891 77.6 167.5 51.5 50.1 21.3 1.1 18.1 62 62 A I E - J 0 73B 11 11,-2.7 11,-1.9 -3,-0.3 2,-0.3 -0.795 32.6-130.1 -97.9 134.5 18.3 3.0 19.5 63 63 A L E + J 0 72B 131 -2,-0.4 -47,-0.4 9,-0.2 2,-0.3 -0.661 35.2 167.6 -83.7 134.3 14.9 1.4 19.5 64 64 A I E - J 0 71B 4 7,-2.6 7,-2.5 -2,-0.3 2,-0.5 -0.988 27.3-146.8-146.5 152.3 12.0 3.4 18.0 65 65 A E E -EJ 14 70B 62 -51,-2.0 -51,-2.3 -2,-0.3 2,-0.5 -0.990 13.2-171.7-123.8 123.6 8.4 2.8 17.0 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.0 -2,-0.5 -53,-0.2 -0.955 74.8 -25.6-118.9 112.9 7.0 4.8 14.0 67 67 A C T 3 S- 0 0 53 -55,-1.9 -1,-0.1 -2,-0.5 -54,-0.1 0.878 128.3 -48.1 53.0 41.0 3.3 4.5 13.4 68 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.433 114.6 120.8 82.0 -2.0 3.3 1.1 15.1 69 69 A H E < - J 0 66B 71 -3,-2.0 -3,-2.8 2,-0.0 2,-0.2 -0.866 56.0-141.9-101.2 118.2 6.3 -0.1 13.1 70 70 A K E + J 0 65B 165 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.557 30.5 158.0 -80.6 139.5 9.3 -1.1 15.2 71 71 A A E - J 0 64B 13 -7,-2.5 -7,-2.6 -2,-0.2 2,-0.4 -0.972 27.1-144.3-153.7 161.3 12.8 -0.3 14.0 72 72 A I E + J 0 63B 80 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.982 38.6 111.0-132.4 143.3 16.3 0.2 15.3 73 73 A G E - 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