==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-99 1D4Y . COMPND 2 MOLECULE: PROTEIN (HIV-1 PROTEASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR K.D.WATENPAUGH,M.N.JANAKIRAMAN . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9604.0 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 . 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 . 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 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 87 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.0 30.4 39.0 5.2 2 2 A Q E -A 198 0A 125 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.901 360.0-155.1-102.8 131.1 30.2 36.7 2.2 3 3 A I E -A 197 0A 32 194,-4.5 194,-3.1 -2,-0.5 2,-0.2 -0.948 0.5-154.2-114.0 124.6 29.1 33.1 3.1 4 4 A T - 0 0 77 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.541 14.6-135.2 -85.8 159.8 30.0 30.2 0.9 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 -2,-0.2 185,-0.1 0.013 72.9 108.6-107.5 28.4 27.8 27.1 1.0 6 6 A W S S+ 0 0 195 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.858 93.1 26.5 -72.6 -27.7 30.3 24.3 1.1 7 7 A K S S- 0 0 64 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.819 110.3 -73.8-123.7 169.5 29.1 23.8 4.7 8 8 A R - 0 0 135 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.312 47.5-120.2 -59.3 137.7 25.9 24.6 6.5 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.536 48.4 166.9 -84.7 77.6 25.5 28.4 7.0 10 10 A L E +D 23 0B 75 -2,-1.8 2,-0.3 13,-0.2 13,-0.3 -0.714 8.4 179.2 -92.9 136.9 25.3 28.4 10.8 11 11 A V E -D 22 0B 17 11,-3.3 11,-2.7 -2,-0.3 2,-0.4 -0.926 31.4-106.2-135.4 161.7 25.7 31.6 12.7 12 12 A T E -D 21 0B 76 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.727 39.5-173.7 -89.5 135.5 25.6 32.8 16.4 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.3 -2,-0.4 2,-0.5 -0.952 20.0-140.8-128.1 154.7 22.5 34.6 17.4 14 14 A K E +DE 19 65B 34 51,-2.1 51,-1.9 -2,-0.3 2,-0.4 -0.966 30.6 159.9-116.6 120.2 21.5 36.4 20.6 15 15 A I E > -D 18 0B 1 3,-2.2 3,-2.5 -2,-0.5 49,-0.1 -0.992 67.9 -8.0-141.2 132.1 17.9 36.0 21.6 16 16 A G T 3 S- 0 0 59 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.700 126.4 -59.0 57.4 23.2 16.4 36.6 25.1 17 17 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.396 115.8 110.6 89.2 -8.3 19.8 37.1 26.5 18 18 A Q E < -D 15 0B 90 -3,-2.5 -3,-2.2 2,-0.0 2,-0.4 -0.723 64.1-131.0-101.3 155.9 20.9 33.6 25.5 19 19 A L E +D 14 0B 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.793 34.5 168.0 -99.4 143.2 23.5 32.8 22.8 20 20 A K E -D 13 0B 33 -7,-2.3 -7,-3.4 -2,-0.4 2,-0.4 -0.995 35.8-116.4-150.8 159.2 22.6 30.2 20.2 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.794 37.1 179.2 -95.3 141.1 23.6 28.7 16.9 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-3.3 -2,-0.4 2,-0.4 -0.974 25.8-125.3-140.7 154.5 21.1 29.2 14.0 23 23 A L E -Df 10 84B 10 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.834 21.1-131.1 -99.4 130.1 21.0 28.2 10.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.4 62,-0.2 -0.752 32.5-176.9 -81.6 112.5 20.4 30.9 7.7 25 25 A D > - 0 0 16 60,-2.7 3,-1.1 -2,-0.7 62,-0.3 -0.900 23.5-175.5-122.7 105.7 17.6 29.5 5.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.578 87.0 62.5 -74.5 -8.4 16.4 31.4 2.5 27 27 A G T 3 S+ 0 0 14 96,-0.1 2,-0.4 81,-0.1 -1,-0.2 0.644 86.0 86.8 -90.2 -14.1 13.8 28.7 2.0 28 28 A A < - 0 0 18 -3,-1.1 59,-2.7 57,-0.2 60,-0.2 -0.715 57.8-164.4 -90.6 133.0 12.1 29.5 5.3 29 29 A D S S+ 0 0 50 -2,-0.4 59,-1.2 57,-0.2 2,-0.2 0.869 77.7 37.6 -76.3 -37.8 9.4 32.2 5.3 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.728 83.4-114.0-113.5 164.5 9.5 32.4 9.1 31 31 A T - 0 0 0 43,-0.5 45,-2.3 -2,-0.2 2,-0.4 -0.824 32.8-171.2 -99.2 127.2 12.1 32.1 11.9 32 32 A V E -gH 76 84B 8 52,-1.9 52,-3.5 -2,-0.5 2,-0.3 -0.992 1.8-172.4-129.2 127.1 11.7 29.1 14.1 33 33 A I E -g 77 0B 0 43,-2.8 45,-2.2 -2,-0.4 47,-0.2 -0.870 31.2 -95.7-121.4 147.5 13.6 28.5 17.3 34 34 A E E -g 78 0B 70 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.169 65.1 -68.3 -58.3 152.5 13.9 25.5 19.7 35 35 A E S S+ 0 0 109 43,-0.5 2,-0.3 45,-0.1 -1,-0.2 -0.221 77.5 138.4 -47.6 126.6 11.6 25.6 22.8 36 36 A M - 0 0 20 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.944 55.9 -85.9-162.9 165.3 12.8 28.3 25.2 37 37 A S + 0 0 110 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.712 43.8 172.5 -88.3 127.7 11.2 31.0 27.4 38 38 A L - 0 0 15 -2,-0.5 2,-0.2 2,-0.1 24,-0.0 -0.940 30.0-117.8-127.1 149.2 10.3 34.3 25.8 39 39 A P + 0 0 102 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.591 68.4 46.4 -87.2 154.2 8.3 37.1 27.4 40 40 A G S S- 0 0 63 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.455 91.6 -53.4 112.1 171.0 5.0 38.4 26.1 41 41 A R - 0 0 74 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.614 55.2-167.0 -83.9 153.1 1.7 37.0 24.9 42 42 A W E -I 59 0B 120 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.869 12.8-141.0-133.6 168.5 1.9 34.4 22.1 43 43 A K E -I 58 0B 108 15,-1.2 15,-2.7 -2,-0.3 2,-0.1 -0.992 24.5-115.1-131.3 139.9 -0.5 32.7 19.7 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.457 41.0 169.4 -73.8 147.3 -0.5 29.1 18.6 45 45 A K E -I 56 0B 71 11,-2.2 11,-2.5 -2,-0.1 2,-0.5 -0.973 29.3-133.2-146.8 163.5 0.1 28.4 15.0 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 22.5-171.3-119.6 129.0 0.9 25.5 12.7 47 47 A I E -I 54 0B 18 7,-2.4 7,-2.3 -2,-0.5 2,-0.3 -0.969 12.1-139.0-122.6 142.5 3.7 25.7 10.2 48 48 A G E +I 53 0B 45 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.659 30.3 146.3 -97.6 147.7 4.5 23.2 7.5 49 49 A G E > -I 52 0B 22 3,-2.4 3,-1.4 -2,-0.3 2,-0.3 -0.774 60.8 -44.2-151.3-161.9 7.9 21.9 6.3 50 50 A I T 3 S+ 0 0 27 1,-0.2 101,-2.3 -2,-0.2 102,-0.4 -0.620 130.5 30.1 -74.1 131.5 9.4 18.7 4.8 51 51 A G T 3 S- 0 0 33 128,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.208 125.2 -80.8 103.1 -17.7 7.9 15.9 7.0 52 52 A G E < -I 49 0B 30 -3,-1.4 -3,-2.4 100,-0.1 2,-0.3 -0.883 68.4 -33.4 122.6-157.0 4.6 17.7 7.8 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.746 40.7-161.1-110.3 157.2 3.5 20.4 10.2 54 54 A I E -I 47 0B 20 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.5 -0.959 22.6-121.3-132.9 149.9 4.5 21.4 13.8 55 55 A K E +I 46 0B 129 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.787 39.6 172.5 -90.8 129.7 2.6 23.4 16.4 56 56 A V E -I 45 0B 2 -11,-2.5 -11,-2.2 -2,-0.5 2,-0.5 -0.884 34.2-116.5-132.2 166.1 4.6 26.5 17.5 57 57 A R E -IJ 44 77B 43 20,-3.2 20,-2.6 -2,-0.3 2,-0.6 -0.930 29.3-140.3-106.4 129.7 4.0 29.6 19.7 58 58 A Q E -IJ 43 76B 29 -15,-2.7 -15,-1.2 -2,-0.5 2,-0.4 -0.836 18.4-173.9 -92.6 116.8 4.2 32.9 17.7 59 59 A Y E -IJ 42 75B 8 16,-3.7 16,-2.4 -2,-0.6 3,-0.3 -0.898 11.8-151.4-107.6 135.8 5.9 35.8 19.5 60 60 A D E + 0 0 63 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.699 65.1 19.8-105.5 163.2 5.9 39.2 17.9 61 61 A Q E S+ 0 0 163 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.940 76.9 159.9 56.4 51.4 8.2 42.1 18.0 62 62 A I E - J 0 73B 21 11,-2.8 11,-2.1 -3,-0.3 2,-0.5 -0.857 34.8-133.2-106.1 148.2 11.2 40.2 19.3 63 63 A I E + J 0 72B 108 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.836 25.4 180.0-100.7 128.0 14.8 41.5 19.0 64 64 A I E - J 0 71B 1 7,-2.6 7,-2.3 -2,-0.5 2,-0.6 -0.950 22.5-142.7-127.7 148.5 17.5 39.3 17.7 65 65 A E E -EJ 14 70B 92 -51,-1.9 -51,-2.1 -2,-0.3 2,-0.7 -0.977 17.9-170.6-110.0 113.4 21.2 39.9 17.1 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-1.3 -2,-0.6 -53,-0.2 -0.913 75.6 -26.8-107.0 104.0 22.5 38.0 14.0 67 67 A C T 3 S- 0 0 58 -55,-1.7 -1,-0.2 -2,-0.7 -54,-0.1 0.980 129.5 -46.1 57.1 49.2 26.2 38.2 13.6 68 68 A G T 3 S+ 0 0 65 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.525 116.2 122.6 69.9 2.7 26.2 41.4 15.6 69 69 A H E < - J 0 66B 72 -3,-1.3 -3,-3.4 2,-0.0 2,-0.3 -0.860 57.1-137.1-102.1 134.3 23.4 42.8 13.5 70 70 A K E + J 0 65B 90 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.631 30.3 164.8 -85.6 138.0 20.1 43.9 15.2 71 71 A A E - J 0 64B 7 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.4 -0.985 19.7-149.4-148.1 155.1 16.8 42.9 13.6 72 72 A I E + J 0 63B 77 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.986 37.0 87.9-133.3 145.5 13.2 42.8 14.8 73 73 A G E - 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