==== 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 30-AUG-07 2R43 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.BOETTCHER,A.BLUM,A.HEINE,W.E.DIEDERICH,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 62.1 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 . 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 . 20 10.1 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 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 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 73 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.9 0.8 4.2 -5.0 2 2 A Q E -A 198 0A 141 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.989 360.0-155.6-113.5 115.3 0.6 6.5 -2.0 3 3 A I E -A 197 0A 31 194,-3.0 194,-2.1 -2,-0.5 2,-0.0 -0.853 4.0-141.7-106.5 122.5 -0.4 10.0 -3.1 4 4 A T - 0 0 60 -2,-0.6 3,-0.1 192,-0.2 192,-0.1 -0.252 4.9-145.8 -69.5 156.2 0.4 13.1 -1.1 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.232 75.1 102.5-113.7 14.3 -2.0 16.0 -0.8 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.854 97.5 21.9 -56.6 -36.0 0.6 18.7 -0.7 7 7 A Q S S- 0 0 126 -3,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.819 113.0 -71.4-121.9 166.9 -0.4 19.2 -4.3 8 8 A R - 0 0 107 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.385 50.9-116.2 -57.4 136.0 -3.6 18.3 -6.2 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.529 49.6 172.0 -80.2 79.7 -3.8 14.6 -6.7 10 10 A L E +D 23 0B 71 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.745 4.1 173.0 -92.0 134.5 -3.6 14.6 -10.4 11 11 A V E -D 22 0B 16 11,-2.7 11,-2.7 -2,-0.4 2,-0.4 -0.898 34.2-104.7-136.3 164.4 -3.3 11.4 -12.4 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.778 38.0-174.9 -89.0 134.3 -3.4 10.2 -16.0 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.6 -2,-0.4 2,-0.4 -0.890 17.3-144.7-124.6 159.0 -6.5 8.4 -17.2 14 14 A K E +DE 19 65B 97 51,-2.5 51,-2.6 -2,-0.3 2,-0.3 -0.991 30.3 154.9-125.4 123.8 -7.4 6.7 -20.4 15 15 A I E > +D 18 0B 2 3,-2.5 3,-1.9 -2,-0.4 49,-0.1 -0.975 65.9 1.0-151.8 133.9 -11.0 6.9 -21.6 16 16 A G T 3 S- 0 0 53 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.801 129.5 -58.7 58.3 27.7 -12.5 6.6 -25.1 17 17 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.511 115.6 115.4 83.5 4.7 -9.0 6.1 -26.5 18 18 A Q E < -D 15 0B 80 -3,-1.9 -3,-2.5 2,-0.0 2,-0.5 -0.886 61.8-136.6-113.4 138.8 -7.8 9.4 -25.1 19 19 A L E +D 14 0B 134 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.831 34.6 168.7 -90.7 129.7 -5.2 10.2 -22.4 20 20 A K E -D 13 0B 29 -7,-2.6 -7,-3.1 -2,-0.5 2,-0.4 -0.927 35.0-121.0-135.9 159.9 -6.4 12.9 -20.0 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.853 38.4 177.7 -96.7 138.1 -5.3 14.4 -16.6 22 22 A A E -D 11 0B 2 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.981 28.7-118.1-146.5 154.6 -7.9 14.1 -13.8 23 23 A L E -Df 10 84B 3 60,-2.8 62,-3.0 -2,-0.3 2,-0.8 -0.793 21.5-133.5 -92.1 124.2 -8.3 14.9 -10.2 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.738 35.4-174.7 -77.2 112.0 -8.9 12.1 -7.7 25 25 A D > - 0 0 18 60,-2.7 3,-1.0 -2,-0.8 62,-0.3 -0.894 27.4-176.8-124.2 104.8 -11.7 13.6 -5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.642 85.5 61.1 -73.1 -13.8 -13.2 12.0 -2.6 27 27 A G T 3 S+ 0 0 12 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.673 86.3 88.4 -82.9 -19.0 -15.9 14.7 -2.3 28 28 A A < - 0 0 20 -3,-1.0 59,-3.0 57,-0.2 60,-0.2 -0.726 58.0-164.0 -85.9 121.3 -17.4 13.9 -5.6 29 29 A D S S+ 0 0 54 -2,-0.5 59,-1.0 57,-0.2 2,-0.3 0.847 78.4 36.6 -67.3 -32.5 -20.1 11.3 -5.7 30 30 A D S S- 0 0 47 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.801 84.1-111.7-122.6 157.1 -19.8 11.0 -9.4 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.5 -2,-0.3 2,-0.4 -0.758 36.1-174.4 -84.3 130.5 -17.1 11.1 -12.1 32 32 A V E -gH 76 84B 10 52,-1.6 52,-2.9 -2,-0.4 2,-0.3 -0.987 2.1-175.1-134.1 123.1 -17.4 14.2 -14.3 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 47,-0.3 -0.847 31.2 -96.5-118.8 157.3 -15.2 14.9 -17.4 34 34 A E S S- 0 0 83 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.161 71.4 -55.1 -60.4 163.5 -14.9 17.8 -19.8 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.095 79.9 136.8 -52.2 131.4 -16.8 17.7 -23.1 36 36 A M - 0 0 17 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.957 53.0 -97.0-164.2 164.0 -16.0 14.5 -25.0 37 37 A S + 0 0 99 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.778 37.2 179.6 -92.1 138.0 -17.8 11.9 -27.0 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.970 28.1-107.9-131.7 154.7 -18.8 8.6 -25.5 39 39 A P S S+ 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.430 70.6 15.9 -78.7 152.5 -20.5 5.6 -26.9 40 40 A G S S- 0 0 67 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.268 94.1 -21.8 95.7-171.8 -24.1 4.5 -26.1 41 41 A R - 0 0 89 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.377 55.2-178.4 -74.6 153.0 -27.2 5.9 -24.6 42 42 A W E -I 59 0B 130 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.944 13.7-157.8-145.3 166.2 -27.3 8.9 -22.2 43 43 A K E -I 58 0B 113 15,-1.2 15,-3.0 -2,-0.3 2,-0.1 -0.982 31.2 -98.2-141.9 153.4 -29.7 10.9 -20.1 44 44 A P E +I 57 0B 79 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.402 39.4 173.3 -78.9 151.7 -29.4 14.4 -18.6 45 45 A K E -I 56 0B 73 11,-2.2 11,-2.9 -2,-0.1 2,-0.4 -0.964 23.6-136.0-146.4 154.5 -28.5 15.2 -15.1 46 46 A M E +I 55 0B 118 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 21.6 179.6-113.7 134.2 -27.8 18.3 -13.0 47 47 A I E +I 54 0B 25 7,-2.4 7,-2.9 -2,-0.4 2,-0.3 -0.960 8.9 173.4-130.5 152.8 -24.8 18.5 -10.6 48 48 A G E +I 53 0B 35 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.979 17.7 153.7-158.3 163.6 -23.8 21.4 -8.5 49 49 A G E > -I 52 0B 25 3,-2.1 3,-2.2 -2,-0.3 100,-0.1 -0.733 68.0 -13.5-162.9-151.6 -21.6 22.9 -5.8 50 50 A V T 3 S+ 0 0 19 1,-0.3 101,-1.0 -2,-0.2 102,-0.4 -0.374 131.7 32.3 -62.4 140.0 -20.4 26.3 -4.9 51 51 A G T 3 S- 0 0 37 100,-0.2 -1,-0.3 99,-0.1 2,-0.2 0.298 121.9 -92.6 98.8 -15.6 -21.1 28.6 -7.9 52 52 A G E < -I 49 0B 27 -3,-2.2 -3,-2.1 100,-0.1 99,-0.4 -0.663 56.5 -37.9 110.1-165.0 -24.3 26.6 -8.8 53 53 A F E -I 48 0B 149 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.698 36.2-160.3-109.3 154.9 -25.3 23.8 -11.1 54 54 A I E -I 47 0B 19 -7,-2.9 -7,-2.4 -2,-0.3 2,-0.4 -0.954 23.0-119.9-128.3 151.9 -24.3 22.5 -14.5 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 38.1 175.9 -88.5 130.9 -26.2 20.2 -16.9 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.876 30.7-116.3-130.1 164.5 -24.3 17.1 -17.8 57 57 A R E -IJ 44 77B 50 20,-2.6 20,-2.2 -2,-0.3 2,-0.6 -0.912 26.6-142.5-102.3 129.3 -24.9 13.9 -19.9 58 58 A Q E -IJ 43 76B 34 -15,-3.0 -15,-1.2 -2,-0.5 2,-0.5 -0.855 18.1-177.2 -99.0 117.1 -24.9 10.6 -18.0 59 59 A Y E -IJ 42 75B 11 16,-2.9 16,-2.7 -2,-0.6 3,-0.3 -0.935 12.1-152.7-109.5 130.5 -23.4 7.6 -19.7 60 60 A D E + 0 0 62 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.633 66.1 22.1-103.0 162.5 -23.4 4.2 -17.9 61 61 A Q E S+ 0 0 154 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.912 76.9 162.0 56.9 50.4 -21.2 1.2 -18.1 62 62 A I E - J 0 73B 12 11,-2.6 11,-2.0 -3,-0.3 2,-0.4 -0.817 34.8-130.1-102.8 137.7 -18.1 3.1 -19.5 63 63 A L E + J 0 72B 137 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.701 32.3 170.9 -86.2 133.8 -14.6 1.6 -19.3 64 64 A I E - J 0 71B 4 7,-2.9 7,-2.7 -2,-0.4 2,-0.5 -0.997 26.4-145.2-140.9 148.2 -11.8 3.7 -17.9 65 65 A E E -EJ 14 70B 72 -51,-2.6 -51,-2.5 -2,-0.3 2,-0.5 -0.973 16.5-171.8-112.7 132.1 -8.2 3.2 -16.8 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-2.4 -2,-0.5 -53,-0.2 -0.965 71.2 -28.1-124.6 108.6 -7.0 5.3 -13.9 67 67 A C T 3 S- 0 0 57 -55,-2.3 -1,-0.1 -2,-0.5 -54,-0.1 0.884 128.9 -44.4 55.6 39.3 -3.3 5.2 -13.1 68 68 A G T 3 S+ 0 0 58 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.237 116.4 115.0 91.1 -15.1 -2.9 1.8 -14.6 69 69 A H E < - J 0 66B 70 -3,-2.4 -3,-2.6 1,-0.0 2,-0.2 -0.780 58.4-138.9-102.3 127.6 -6.0 0.4 -13.0 70 70 A K E + J 0 65B 160 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.520 30.3 162.9 -80.7 141.1 -9.0 -0.7 -15.1 71 71 A A E - J 0 64B 10 -7,-2.7 -7,-2.9 -2,-0.2 2,-0.4 -0.996 25.6-143.6-152.5 162.4 -12.6 0.1 -13.9 72 72 A I E + J 0 63B 87 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.973 40.4 100.8-129.3 141.5 -16.2 0.3 -15.2 73 73 A G E - 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