==== 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 19-SEP-06 2IEO . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.TIE,P.I.BOROSS,Y.F.WANG,L.GADDIS,D.MANNA,A.K.HUSSAIN,S.LES . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 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 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 . 13 6.6 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 87 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.5 -0.5 38.9 18.0 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.991 360.0-161.4-107.9 119.9 -0.3 36.7 21.1 3 3 A I E -A 197 0A 33 194,-3.7 194,-2.4 -2,-0.5 2,-0.1 -0.919 3.7-150.1-109.8 119.2 0.6 33.2 20.0 4 4 A T - 0 0 70 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.376 12.7-133.3 -82.0 172.4 -0.1 30.3 22.2 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.164 74.4 107.4-116.0 17.9 2.1 27.2 22.2 6 6 A W S S+ 0 0 181 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.832 93.8 25.2 -61.3 -32.7 -0.5 24.4 22.1 7 7 A K S S- 0 0 164 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.790 110.8 -72.2-121.6 167.1 0.6 23.9 18.5 8 8 A R - 0 0 140 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.433 49.4-120.2 -57.8 133.6 3.8 24.7 16.6 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.506 48.4 169.6 -80.4 78.5 4.0 28.5 16.1 10 10 A L E +D 23 0B 81 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.706 7.6 174.7 -94.3 142.9 4.1 28.6 12.4 11 11 A V E -D 22 0B 16 11,-2.9 11,-2.6 -2,-0.3 2,-0.4 -0.920 33.5-103.8-138.8 165.1 3.8 31.7 10.3 12 12 A T E -D 21 0B 75 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.765 38.8-176.3 -91.3 133.5 3.9 32.8 6.7 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.877 19.3-143.8-121.8 158.5 7.1 34.5 5.6 14 14 A K E +DE 19 65B 91 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.993 29.1 161.2-123.6 126.4 8.1 36.1 2.3 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.1 -2,-0.4 49,-0.1 -0.990 66.5 -2.6-148.5 130.9 11.8 35.8 1.4 16 16 A G T 3 S- 0 0 50 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.806 130.4 -57.8 58.0 30.0 13.4 36.2 -2.0 17 17 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.512 115.6 114.1 82.6 2.2 10.0 36.8 -3.5 18 18 A Q E < -D 15 0B 84 -3,-2.1 -3,-2.3 2,-0.0 2,-0.5 -0.860 62.5-132.9-112.2 138.2 8.7 33.4 -2.2 19 19 A L E +D 14 0B 117 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.794 36.1 164.2 -89.8 135.5 6.1 32.6 0.3 20 20 A K E -D 13 0B 30 -7,-2.3 -7,-3.1 -2,-0.5 2,-0.4 -0.935 35.8-118.1-141.4 159.8 7.1 30.0 2.8 21 21 A E E +D 12 0B 104 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.840 36.7 179.1-100.0 142.9 5.9 28.7 6.2 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.4 -0.989 28.2-118.7-145.7 152.9 8.3 28.9 9.1 23 23 A L E -Df 10 84B 12 60,-2.8 62,-3.0 -2,-0.3 2,-0.8 -0.763 23.8-131.4 -89.4 129.8 8.5 28.1 12.8 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.4 62,-0.2 -0.760 36.2-172.8 -81.8 111.4 9.1 31.0 15.2 25 25 A D > - 0 0 16 60,-2.8 3,-1.7 -2,-0.8 62,-0.3 -0.853 29.7-179.6-124.4 100.0 11.9 29.5 17.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.694 88.1 61.1 -67.6 -18.2 13.2 31.1 20.4 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.499 87.8 85.5 -87.1 -2.2 15.8 28.3 20.7 28 28 A A < - 0 0 15 -3,-1.7 59,-2.9 57,-0.2 60,-0.2 -0.871 60.3-162.4 -98.5 122.8 17.4 29.1 17.3 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.894 78.4 27.2 -65.5 -41.0 20.1 31.8 17.4 30 30 A D S S- 0 0 53 57,-0.2 2,-0.3 56,-0.1 57,-0.1 -0.877 88.9-101.8-124.8 153.2 19.9 32.3 13.6 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.588 36.7-169.3 -71.5 131.7 17.2 32.0 10.9 32 32 A V E -gH 76 84B 5 52,-2.1 52,-3.0 -2,-0.3 2,-0.3 -0.998 3.1-173.4-133.0 125.2 17.6 28.8 8.8 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.1 -2,-0.4 47,-0.2 -0.912 30.2-101.1-121.9 146.3 15.7 28.2 5.6 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.175 69.1 -56.7 -57.6 158.3 15.5 25.1 3.3 35 35 A E S S+ 0 0 111 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.079 79.8 135.4 -49.9 127.0 17.5 25.2 0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.947 54.5 -98.7-159.6 161.3 16.7 28.2 -2.1 37 37 A S - 0 0 100 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.724 37.5-179.4 -87.3 141.1 18.6 30.8 -4.1 38 38 A L - 0 0 9 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.958 29.3-104.3-129.4 155.0 19.2 34.2 -2.5 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.398 72.8 20.8 -76.0 159.1 21.0 37.2 -4.1 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.202 94.6 -26.8 89.1-172.1 24.5 38.3 -3.1 41 41 A R - 0 0 223 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.348 54.4-176.3 -75.5 156.5 27.6 36.9 -1.6 42 42 A W E -I 59 0B 115 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.961 12.5-153.9-144.5 165.7 27.6 34.1 0.9 43 43 A K E -I 58 0B 111 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.985 29.9-101.0-139.0 150.8 30.0 32.1 3.1 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.408 40.2 173.2 -74.1 150.9 29.9 28.6 4.4 45 45 A K E -I 56 0B 78 11,-2.1 11,-3.1 -2,-0.1 2,-0.4 -0.969 25.1-139.8-148.7 153.2 28.9 27.9 8.0 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.973 20.8-172.9-114.2 133.4 28.3 24.8 10.2 47 47 A I E -I 54 0B 29 7,-2.4 7,-2.3 -2,-0.4 2,-0.3 -0.962 8.5-149.7-128.0 144.6 25.4 25.0 12.6 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.862 24.9 144.6-122.2 148.6 24.6 22.3 15.3 49 49 A G E > -I 52 0B 19 3,-2.2 3,-1.8 -2,-0.3 2,-0.3 -0.674 64.2 -35.0-156.7-158.2 21.5 21.1 17.0 50 50 A I T 3 S+ 0 0 31 1,-0.3 101,-1.5 -2,-0.2 102,-0.6 -0.495 132.9 30.8 -76.2 141.6 20.1 17.9 18.3 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 -2,-0.3 -1,-0.3 0.280 122.7 -93.2 91.1 -14.9 21.4 15.2 15.8 52 52 A G E < -I 49 0B 27 -3,-1.8 -3,-2.2 100,-0.1 99,-0.3 -0.833 64.4 -21.6 111.0-154.9 24.6 17.1 15.0 53 53 A F E -I 48 0B 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.705 37.6-166.2-106.8 152.6 25.7 19.7 12.4 54 54 A I E -I 47 0B 19 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.4 -0.952 25.5-121.2-125.1 152.4 24.6 20.7 9.0 55 55 A K E +I 46 0B 141 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.785 38.2 176.9 -90.3 131.8 26.6 22.9 6.5 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.5 -0.854 32.4-115.2-130.0 163.9 24.7 26.0 5.4 57 57 A R E -IJ 44 77B 48 20,-2.8 20,-2.5 -2,-0.3 2,-0.6 -0.930 28.9-143.8-100.1 125.7 25.3 29.1 3.2 58 58 A Q E -IJ 43 76B 31 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.4 -0.851 18.3-176.5 -95.8 115.2 25.3 32.3 5.2 59 59 A Y E -IJ 42 75B 10 16,-2.7 16,-2.6 -2,-0.6 3,-0.3 -0.949 11.6-151.5-110.0 131.5 23.7 35.3 3.4 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.615 67.9 22.2-100.1 160.5 23.9 38.7 5.1 61 61 A Q E S+ 0 0 160 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.898 77.4 159.7 56.0 48.4 21.4 41.7 4.8 62 62 A I E - J 0 73B 16 11,-2.7 11,-2.1 -3,-0.3 2,-0.5 -0.848 33.6-137.3-100.7 136.5 18.5 39.7 3.6 63 63 A I E + J 0 72B 88 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.770 23.3 179.6 -94.6 132.4 15.0 41.1 4.0 64 64 A I E -EJ 15 71B 0 7,-3.3 7,-2.6 -2,-0.5 2,-0.6 -0.990 23.1-142.8-127.4 142.4 12.2 38.9 5.2 65 65 A E E -EJ 14 70B 81 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.6 -0.928 22.6-167.1 -98.4 117.7 8.5 39.7 5.8 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-2.2 -2,-0.6 -53,-0.2 -0.950 68.6 -31.1-116.4 111.2 7.4 37.7 8.8 67 67 A A T 3 S- 0 0 42 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.876 129.7 -44.7 50.2 41.4 3.7 37.5 9.5 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.358 118.4 109.7 84.7 -3.5 3.5 41.0 7.9 69 69 A H E < - J 0 66B 84 -3,-2.2 -3,-3.2 2,-0.0 2,-0.3 -0.918 62.3-135.1-110.7 127.1 6.4 42.5 9.6 70 70 A K E + J 0 65B 154 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.504 28.4 170.3 -84.2 140.8 9.6 43.3 7.7 71 71 A A E - J 0 64B 7 -7,-2.6 -7,-3.3 -2,-0.3 2,-0.4 -0.984 18.8-149.6-144.7 150.2 13.0 42.5 9.1 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.979 40.8 93.0-125.2 139.9 16.6 42.5 7.8 73 73 A G E - 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