==== 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 28-AUG-08 3EBZ . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 (I . AUTHOR A.Y.KOVALEVSKY,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 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 . 72 36.4 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 . 10 5.1 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 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 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 3 2 0 0 2 2 1 1 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 86 0, 0.0 198,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.5 18.0 2.8 -3.5 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.997 360.0-158.1-128.9 127.6 21.4 3.4 -1.9 3 3 A F E -A 197 0A 37 194,-3.3 194,-2.2 -2,-0.4 5,-0.0 -0.934 4.5-165.0-103.6 113.7 22.3 6.1 0.6 4 4 A S - 0 0 51 -2,-0.6 -1,-0.1 192,-0.2 190,-0.1 0.524 28.4-132.0 -80.8 -5.3 26.0 6.7 0.5 5 5 A L S S+ 0 0 1 2,-0.2 186,-0.2 1,-0.1 -1,-0.1 0.469 76.5 115.2 69.9 8.3 26.1 8.6 3.8 6 6 A W S S+ 0 0 185 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.815 88.6 30.1 -69.4 -27.4 28.2 11.5 2.5 7 7 A K S S- 0 0 153 180,-0.0 -2,-0.2 1,-0.0 0, 0.0 -0.837 111.5 -80.7-118.1 162.3 25.1 13.5 3.2 8 8 A R - 0 0 119 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.441 46.8-119.6 -60.6 132.9 22.4 12.9 5.9 9 9 A P + 0 0 3 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.568 52.6 160.0 -78.7 86.6 20.0 10.3 4.6 10 10 A V E +D 23 0B 59 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.949 10.0 168.6-117.9 129.8 16.9 12.3 4.6 11 11 A V E -D 22 0B 19 11,-2.2 11,-2.7 -2,-0.4 2,-0.5 -0.815 37.7 -99.8-130.6 167.4 13.8 11.5 2.6 12 12 A T E -D 21 0B 62 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.833 41.0-178.7 -95.4 130.0 10.2 12.6 2.4 13 13 A A E -D 20 0B 0 7,-3.2 7,-2.7 -2,-0.5 2,-0.5 -0.828 22.4-138.3-119.6 160.4 7.6 10.5 4.2 14 14 A Y E -DE 19 65B 102 51,-2.5 51,-2.3 -2,-0.3 2,-0.6 -0.989 15.5-167.5-118.7 119.8 3.9 10.7 4.5 15 15 A I E > S-DE 18 64B 0 3,-2.6 3,-2.4 -2,-0.5 49,-0.2 -0.966 82.7 -19.9-112.5 115.0 2.5 9.9 8.0 16 16 A E T 3 S- 0 0 107 47,-2.4 -1,-0.2 -2,-0.6 48,-0.1 0.874 132.4 -53.0 51.7 37.7 -1.2 9.5 7.9 17 17 A G T 3 S+ 0 0 44 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.278 112.2 118.9 86.9 -11.2 -0.9 11.4 4.6 18 18 A Q E < -D 15 0B 79 -3,-2.4 -3,-2.6 1,-0.0 -1,-0.2 -0.772 64.2-122.5 -97.9 131.8 1.0 14.4 5.9 19 19 A P E +D 14 0B 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.469 37.9 164.5 -74.0 135.4 4.4 15.0 4.4 20 20 A V E -D 13 0B 21 -7,-2.7 -7,-3.2 -2,-0.2 2,-0.4 -0.987 36.5-122.9-142.1 145.9 7.4 15.2 6.7 21 21 A E E -D 12 0B 96 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.815 36.9-169.6 -88.9 138.1 11.1 15.0 6.1 22 22 A V E -D 11 0B 0 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.5 -0.961 22.1-129.9-134.2 147.7 12.7 12.1 8.0 23 23 A L E -Df 10 84B 4 60,-2.7 62,-2.7 -2,-0.3 2,-0.9 -0.817 21.6-133.0 -94.7 127.5 16.2 11.0 8.8 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.2 -0.720 36.3-174.2 -83.8 107.4 16.9 7.3 8.1 25 25 A D > + 0 0 12 60,-2.7 3,-1.4 -2,-0.9 62,-0.3 -0.863 32.7 179.9-124.1 102.2 18.6 6.4 11.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.704 87.5 65.0 -67.3 -17.8 20.3 3.1 12.2 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.355 88.9 79.4 -85.0 2.0 21.2 4.6 15.6 28 28 A A < - 0 0 17 -3,-1.4 59,-2.9 1,-0.1 60,-0.2 -0.955 61.1-160.7-110.9 124.8 17.6 4.9 16.7 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.901 80.1 16.4 -65.9 -39.6 15.7 1.8 18.0 30 30 A D S S- 0 0 54 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.649 85.7 -97.4-132.3 176.4 12.3 3.5 17.3 31 31 A S - 0 0 1 43,-0.4 45,-2.6 -2,-0.2 2,-0.4 -0.817 29.9-176.4-112.5 139.5 10.9 6.4 15.4 32 32 A I E -gH 76 84B 12 52,-1.8 52,-3.1 -2,-0.4 2,-0.4 -0.994 3.0-179.6-140.7 128.6 10.0 9.9 16.7 33 33 A V E -g 77 0B 0 43,-2.5 45,-1.5 -2,-0.4 2,-0.3 -0.954 11.4-149.8-134.3 147.2 8.4 12.8 14.8 34 34 A A S S+ 0 0 28 -2,-0.4 45,-0.1 43,-0.2 3,-0.1 -0.766 71.1 30.9-108.6 161.3 7.5 16.3 15.7 35 35 A G S S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.362 90.8 102.6 76.1 -0.8 4.7 18.6 14.6 36 36 A I - 0 0 8 -3,-0.1 2,-0.5 42,-0.1 -1,-0.1 -0.961 60.8-144.0-121.9 130.9 2.1 15.9 13.8 37 37 A E + 0 0 137 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.841 19.5 174.8 -90.6 120.4 -0.8 15.1 16.1 38 38 A L - 0 0 25 -2,-0.5 3,-0.3 1,-0.3 2,-0.2 0.347 43.1-123.5-112.8 -1.6 -1.7 11.4 16.2 39 39 A G - 0 0 27 1,-0.2 -1,-0.3 20,-0.0 0, 0.0 -0.559 38.0 -41.1 110.0-162.7 -4.4 11.7 18.9 40 40 A N S S+ 0 0 147 -2,-0.2 2,-1.0 1,-0.1 -1,-0.2 0.419 101.4 86.3 -95.9 -5.8 -5.5 10.4 22.4 41 41 A N + 0 0 149 -3,-0.3 19,-0.3 2,-0.0 2,-0.3 -0.711 64.9 110.6-104.4 86.7 -4.6 6.7 22.1 42 42 A Y - 0 0 80 -2,-1.0 17,-0.2 17,-0.1 34,-0.1 -0.875 61.3-124.2-140.8 174.0 -1.0 6.5 23.1 43 43 A S E -I 58 0B 49 15,-1.7 15,-3.1 -2,-0.3 2,-0.2 -1.000 32.4-127.0-126.2 124.7 1.3 5.2 25.8 44 44 A P E +I 57 0B 101 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.533 37.7 166.7 -75.2 137.5 3.7 7.8 27.3 45 45 A K E -I 56 0B 68 11,-2.1 11,-2.9 -2,-0.2 2,-0.4 -0.962 29.5-129.0-148.7 157.4 7.3 6.9 27.3 46 46 A I E -I 55 0B 109 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.954 19.6-165.9-113.3 134.2 10.7 8.6 27.8 47 47 A V E -I 54 0B 23 7,-2.3 7,-2.5 -2,-0.4 2,-0.3 -0.908 4.7-153.7-120.1 148.6 13.6 8.4 25.4 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.888 26.7 131.7-120.9 146.4 17.2 9.3 26.0 49 49 A G E > -I 52 0B 20 3,-2.9 3,-1.6 -2,-0.3 2,-0.2 -0.808 62.5 -21.7-158.6-154.9 20.0 10.5 23.8 50 50 A I T 3 S+ 0 0 21 1,-0.2 101,-2.5 -2,-0.2 102,-0.7 -0.517 128.6 19.5 -66.2 130.2 22.7 13.1 23.6 51 51 A G T 3 S- 0 0 31 128,-0.5 2,-0.4 100,-0.2 102,-0.2 0.254 124.4 -75.3 95.1 -11.9 21.8 16.1 25.7 52 52 A G E < -I 49 0B 22 -3,-1.6 -3,-2.9 100,-0.2 2,-0.3 -0.986 65.9 -37.8 136.1-137.9 19.3 14.3 27.8 53 53 A F E -I 48 0B 159 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.904 34.3-158.4-134.8 155.7 15.7 12.9 27.6 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.3 -0.989 22.7-119.7-137.7 146.5 12.4 13.8 26.2 55 55 A N E -I 46 0B 126 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.660 38.9-178.1 -69.3 136.5 8.8 12.8 26.9 56 56 A T E -IJ 45 78B 4 -11,-2.9 -11,-2.1 -2,-0.3 2,-0.5 -0.920 27.7-133.0-133.8 167.2 7.1 11.0 24.0 57 57 A K E -IJ 44 77B 78 20,-2.6 20,-2.5 -2,-0.3 2,-0.5 -0.989 24.3-145.4-117.1 122.0 3.7 9.6 23.1 58 58 A E E -IJ 43 76B 32 -15,-3.1 -15,-1.7 -2,-0.5 2,-0.4 -0.812 15.7-172.0 -96.8 125.6 3.9 6.1 21.5 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.3 -2,-0.5 3,-0.3 -0.948 10.2-145.6-111.9 135.7 1.3 5.3 18.8 60 60 A K E + 0 0 116 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.626 69.9 14.6 -99.0 154.9 0.8 1.8 17.3 61 61 A N E S+ 0 0 128 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.880 77.0 173.1 58.3 51.1 -0.2 0.8 13.8 62 62 A V E - J 0 73B 6 11,-2.9 11,-2.3 -3,-0.3 2,-0.5 -0.735 35.3-115.2 -93.6 134.9 0.4 4.1 12.1 63 63 A E E + J 0 72B 86 -2,-0.3 -47,-2.4 9,-0.2 2,-0.4 -0.615 39.3 178.8 -71.9 121.7 0.2 4.5 8.3 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-2.9 -2,-0.5 2,-0.5 -0.987 16.3-170.8-128.8 133.8 3.6 5.4 6.8 65 65 A E E +EJ 14 70B 89 -51,-2.3 -51,-2.5 -2,-0.4 2,-0.3 -0.993 27.8 141.9-121.4 121.8 4.5 5.9 3.1 66 66 A V E > + J 0 69B 4 3,-2.5 3,-1.8 -2,-0.5 -53,-0.1 -0.965 59.7 11.2-158.9 146.5 8.2 6.2 2.4 67 67 A L T 3 S- 0 0 27 -55,-0.5 3,-0.1 -2,-0.3 -54,-0.1 0.843 128.7 -59.4 48.8 44.6 10.7 5.1 -0.3 68 68 A N T 3 S+ 0 0 153 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.734 118.1 107.6 57.6 23.2 7.8 4.1 -2.5 69 69 A K E < - J 0 66B 100 -3,-1.8 -3,-2.5 2,-0.0 2,-0.5 -0.950 58.2-146.1-123.8 152.5 6.6 1.6 0.1 70 70 A K E + J 0 65B 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.958 26.7 162.7-116.9 129.6 3.7 1.6 2.5 71 71 A V E - J 0 64B 24 -7,-2.9 -7,-3.2 -2,-0.5 2,-0.5 -0.933 35.2-129.4-138.0 165.9 3.9 0.1 6.0 72 72 A R E + J 0 63B 196 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.975 46.6 152.2-115.3 125.8 2.0 0.2 9.3 73 73 A A E - J 0 62B 10 -11,-2.3 -11,-2.9 -2,-0.5 2,-0.3 -0.950 47.9 -85.1-154.3 166.2 4.4 0.9 12.2 74 74 A T E - 0 0 39 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.607 43.3-178.4 -78.8 130.5 4.9 2.3 15.7 75 75 A I E - J 0 59B 1 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.4 -1.000 14.3-152.1-133.6 135.2 5.6 6.1 15.8 76 76 A M E -gJ 32 58B 1 -45,-2.6 -43,-2.5 -2,-0.4 2,-0.4 -0.820 8.9-152.6 -96.3 144.3 6.4 8.3 18.8 77 77 A T E +gJ 33 57B 17 -20,-2.5 -20,-2.6 -2,-0.4 2,-0.3 -0.895 35.3 119.0-110.4 148.6 5.5 11.9 18.9 78 78 A G E S- J 0 56B 19 -45,-1.5 2,-2.3 -2,-0.4 -22,-0.1 -0.955 73.1 -62.2 176.6 179.4 7.5 14.5 20.9 79 79 A D + 0 0 140 -24,-0.5 -45,-0.1 -2,-0.3 -23,-0.0 -0.324 67.9 156.9 -81.6 60.5 9.6 17.6 20.9 80 80 A T - 0 0 5 -2,-2.3 -2,-0.1 1,-0.1 70,-0.1 -0.637 44.9-137.3 -83.8 143.3 12.4 16.0 18.9 81 81 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.689 88.8 24.6 -73.5 -18.9 14.6 18.5 17.0 82 82 A I S S- 0 0 56 -50,-0.0 2,-0.4 68,-0.0 -60,-0.1 -0.983 87.4-109.3-142.0 150.5 14.6 16.2 13.9 83 83 A N - 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