==== 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/PEPTIDE 01-AUG-96 1YTG . COMPND 2 MOLECULE: HIV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR R.B.ROSE,C.S.CRAIK,N.L.DOUGLAS,R.M.STROUD . 201 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 37.3 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 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 2 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 0 PARALLEL BRIDGES PER LADDER . 3 1 4 0 0 2 2 2 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 79 0, 0.0 198,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-179.2 -1.7 7.0 34.4 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.989 360.0-161.3-115.9 128.8 2.0 6.5 34.1 3 3 A I E -A 197 0A 35 194,-2.8 194,-2.5 -2,-0.5 2,-0.2 -0.951 3.8-152.1-120.0 130.7 2.9 3.3 32.3 4 4 A T E -A 196 0A 71 -2,-0.5 3,-0.4 192,-0.2 192,-0.1 -0.605 14.9-132.9 -95.9 157.8 6.3 1.7 32.5 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.209 77.2 102.3-108.4 17.9 7.6 -0.4 29.6 6 6 A W S S+ 0 0 178 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.856 94.2 38.7 -60.1 -35.2 8.9 -3.6 31.3 7 7 A K S S- 0 0 65 -3,-0.4 180,-0.0 1,-0.0 0, 0.0 -0.697 111.3 -85.8-110.8 162.7 5.7 -5.1 30.0 8 8 A R - 0 0 99 -2,-0.2 2,-2.1 1,-0.1 119,-0.1 -0.555 46.7-115.4 -63.0 136.0 3.9 -4.5 26.7 9 9 A P + 0 0 6 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.452 52.6 167.4 -81.4 73.9 1.7 -1.3 27.1 10 10 A L E +D 23 0B 79 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.747 7.9 178.2 -90.8 133.2 -1.6 -3.2 26.6 11 11 A V E -D 22 0B 13 11,-3.1 11,-2.9 -2,-0.4 2,-0.5 -0.816 30.7-110.7-138.1 161.9 -4.8 -1.4 27.5 12 12 A T E -D 21 0B 65 -2,-0.3 55,-1.6 9,-0.3 2,-0.3 -0.901 35.9-175.1-104.8 127.4 -8.5 -2.1 27.4 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.4 -2,-0.5 2,-0.4 -0.788 18.1-144.3-117.2 165.5 -10.5 -0.1 24.9 14 14 A R E +DE 19 65B 129 51,-1.5 51,-2.4 -2,-0.3 2,-0.3 -0.998 29.7 157.6-134.9 121.1 -14.3 0.1 24.2 15 15 A I E > S+DE 18 64B 2 3,-1.9 3,-2.8 -2,-0.4 49,-0.1 -0.965 70.5 2.3-147.2 139.7 -15.3 0.6 20.6 16 16 A G T 3 S- 0 0 61 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.822 129.5 -62.3 48.6 31.0 -18.7 -0.4 19.1 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.595 114.7 118.2 71.9 8.2 -19.9 -1.4 22.7 18 18 A Q E < -D 15 0B 102 -3,-2.8 -3,-1.9 2,-0.0 2,-0.5 -0.855 60.6-137.6-109.6 134.5 -17.1 -4.1 22.7 19 19 A L E +D 14 0B 119 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.832 32.7 166.0 -84.8 129.0 -14.1 -4.3 25.1 20 20 A K E -D 13 0B 36 -7,-2.4 -7,-3.0 -2,-0.5 2,-0.4 -0.906 34.1-119.3-136.5 161.1 -10.8 -5.2 23.5 21 21 A E E -D 12 0B 106 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.823 35.3-179.7 -98.5 149.6 -7.2 -5.0 24.5 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-3.1 -2,-0.4 2,-0.4 -0.997 27.2-118.5-152.8 149.8 -4.8 -2.8 22.6 23 23 A L E -Df 10 84B 1 60,-2.9 62,-2.9 -2,-0.3 2,-0.8 -0.764 21.2-134.7 -91.5 132.7 -1.2 -1.8 22.5 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.4 62,-0.1 -0.755 33.2-176.8 -84.1 111.0 -0.3 1.8 22.9 25 25 A D > - 0 0 0 60,-2.1 3,-1.7 -2,-0.8 62,-0.3 -0.879 25.1-175.8-126.7 101.5 2.3 2.2 20.1 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.624 86.5 67.5 -67.7 -14.2 4.1 5.5 19.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.602 88.0 77.1 -80.5 -16.7 5.7 4.0 16.6 28 28 A A < - 0 0 12 -3,-1.7 59,-2.8 57,-0.2 60,-0.1 -0.820 57.6-163.8-100.4 140.1 2.4 3.9 14.7 29 29 A D S S+ 0 0 91 -2,-0.4 59,-1.7 57,-0.2 2,-0.2 0.831 77.8 42.2 -78.4 -32.3 0.8 6.9 13.0 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.660 81.1-118.2-117.5 158.8 -2.7 5.2 12.7 31 31 A T - 0 0 2 43,-0.3 45,-2.1 -2,-0.2 2,-0.4 -0.889 34.8-179.1 -96.6 127.0 -4.9 3.0 14.8 32 32 A V E -gH 76 84B 5 52,-1.3 52,-2.2 -2,-0.5 2,-0.3 -0.996 2.7-172.4-136.3 131.1 -5.4 -0.4 13.2 33 33 A L E -g 77 0B 1 43,-2.2 45,-2.5 -2,-0.4 3,-0.2 -0.896 30.9 -87.1-121.5 152.1 -7.6 -3.0 14.8 34 34 A E - 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.182 69.9 -62.8 -53.6 159.7 -8.3 -6.7 14.0 35 35 A E S S+ 0 0 119 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.116 76.0 146.1 -53.3 118.8 -11.0 -7.5 11.6 36 36 A M - 0 0 14 -3,-0.2 2,-0.8 2,-0.0 -3,-0.1 -0.979 50.0-111.1-151.6 161.9 -14.4 -6.4 13.0 37 37 A N + 0 0 148 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.881 39.8 170.4-102.2 112.9 -17.7 -5.0 11.7 38 38 A L - 0 0 17 -2,-0.8 2,-0.4 2,-0.1 -2,-0.0 -0.819 36.3-107.0-109.6 160.2 -18.1 -1.4 12.6 39 39 A P S S+ 0 0 111 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.739 72.5 76.0 -85.0 137.4 -20.9 0.8 11.2 40 40 A G S S- 0 0 55 -2,-0.4 2,-0.3 19,-0.1 -2,-0.1 -0.750 85.7 -78.2 151.8 166.6 -20.1 3.4 8.7 41 41 A K - 0 0 98 -2,-0.2 19,-0.4 19,-0.1 2,-0.4 -0.663 54.4-159.8 -77.6 152.2 -19.2 3.7 5.1 42 42 A W - 0 0 117 -2,-0.3 17,-0.2 17,-0.1 -2,-0.1 -0.992 12.6-143.7-135.6 149.3 -15.5 2.6 4.7 43 43 A K E -I 58 0B 52 15,-1.3 15,-3.2 -2,-0.4 2,-0.2 -0.844 29.1-112.6-103.7 140.2 -13.0 3.3 2.1 44 44 A P E -I 57 0B 104 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.609 43.2-175.7 -61.5 138.6 -10.4 0.6 1.2 45 45 A K E -I 56 0B 65 11,-2.7 11,-2.8 -2,-0.2 2,-0.4 -0.933 20.7-144.3-137.2 160.5 -7.0 1.8 2.2 46 46 A M E +I 55 0B 112 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.992 25.1 166.9-124.7 131.6 -3.4 0.4 1.9 47 47 A I E -I 54 0B 22 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.784 19.6-140.6-130.5-177.7 -0.8 0.9 4.7 48 48 A G E +I 53 0B 46 5,-0.3 5,-0.3 -2,-0.2 2,-0.2 -0.972 20.7 162.7-144.7 155.8 2.7 -0.6 5.4 49 49 A G E > -I 52 0B 30 3,-1.5 2,-1.9 101,-0.4 3,-0.9 -0.754 62.5 -40.7-148.4-163.7 4.8 -1.8 8.5 50 50 A I T 3 S+ 0 0 19 152,-0.4 102,-0.4 153,-0.3 99,-0.3 -0.526 142.4 31.5 -69.1 83.1 7.9 -4.0 9.4 51 51 A G T 3 S- 0 0 36 -2,-1.9 2,-0.3 100,-0.2 -1,-0.3 -0.165 119.1-122.0 150.4 -38.9 6.9 -6.6 6.9 52 52 A G E < +I 49 0B 23 98,-1.2 -3,-1.5 -3,-0.9 100,-0.1 -0.864 52.9 17.4 129.6-153.8 5.3 -4.2 4.5 53 53 A F E +I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.319 50.6 164.0 -71.8 139.9 2.2 -3.2 2.6 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.4 -2,-0.1 2,-0.4 -0.982 35.0-110.7-153.0 163.1 -1.5 -4.4 3.4 55 55 A K E +I 46 0B 56 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.798 37.9 173.1 -98.7 132.5 -5.2 -3.6 2.6 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.819 34.4-116.3-129.9 171.7 -7.3 -2.2 5.4 57 57 A R E -IJ 44 77B 37 20,-1.9 20,-1.9 -2,-0.3 2,-0.5 -0.977 31.6-145.8-107.4 121.3 -10.8 -0.8 5.8 58 58 A Q E -IJ 43 76B 41 -15,-3.2 -15,-1.3 -2,-0.5 2,-0.4 -0.832 15.8-174.1 -94.5 133.8 -10.8 2.8 6.9 59 59 A Y E - J 0 75B 3 16,-3.3 16,-2.5 -2,-0.5 3,-0.4 -0.978 12.7-146.4-120.6 129.0 -13.5 4.1 9.2 60 60 A D E + 0 0 91 -19,-0.4 14,-0.2 -2,-0.4 13,-0.1 -0.625 68.1 8.7 -97.4 154.4 -13.8 7.8 10.1 61 61 A Q E S+ 0 0 136 -2,-0.2 13,-0.2 1,-0.2 -1,-0.2 0.765 75.3 165.3 49.5 45.6 -14.9 9.5 13.3 62 62 A I E - J 0 73B 16 11,-2.5 11,-2.4 -3,-0.4 2,-0.4 -0.684 35.1-129.6 -86.6 131.1 -15.2 6.4 15.4 63 63 A P E + J 0 72B 72 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.715 30.9 179.0 -77.1 135.1 -15.5 7.0 19.2 64 64 A V E -EJ 15 71B 3 7,-2.4 7,-2.7 -2,-0.4 2,-0.5 -0.978 19.7-148.2-136.3 137.5 -13.0 4.9 21.2 65 65 A E E -EJ 14 70B 60 -51,-2.4 -51,-1.5 -2,-0.4 2,-0.5 -0.979 11.9-171.2-108.7 129.0 -12.6 4.9 25.0 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.2 -2,-0.5 -53,-0.2 -0.959 78.5 -26.1-122.0 102.4 -9.0 4.2 26.1 67 67 A C T 3 S- 0 0 60 -55,-1.6 -1,-0.2 -2,-0.5 -54,-0.1 0.916 126.3 -52.2 55.9 39.7 -8.8 3.7 30.0 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -54,-0.0 -1,-0.3 0.702 115.4 116.0 72.9 13.1 -12.0 5.9 30.2 69 69 A H E < - J 0 66B 68 -3,-1.2 -3,-2.8 2,-0.0 2,-0.3 -0.965 61.1-137.3-105.1 133.9 -10.5 8.8 28.2 70 70 A K E + J 0 65B 127 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.719 24.0 178.2-102.1 145.9 -12.5 9.2 25.0 71 71 A A E - J 0 64B 1 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.3 -0.889 12.6-157.9-128.2 156.6 -11.1 9.9 21.6 72 72 A I E + J 0 63B 79 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.957 44.2 95.7-137.1 119.5 -13.1 10.2 18.2 73 73 A G E - J 0 62B 7 -11,-2.4 -11,-2.5 -2,-0.3 2,-0.1 -0.977 68.2 -30.9-179.9-174.1 -11.2 9.6 15.0 74 74 A T E - 0 0 39 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.367 43.9-173.5 -65.4 143.4 -10.1 7.3 12.2 75 75 A V E - J 0 59B 0 -16,-2.5 -16,-3.3 -45,-0.1 2,-0.4 -0.989 9.7-155.4-140.7 132.1 -9.7 3.5 12.8 76 76 A L E -gJ 32 58B 1 -45,-2.1 -43,-2.2 -2,-0.4 2,-0.4 -0.887 9.3-155.9-106.9 144.6 -8.3 1.2 10.2 77 77 A V E +gJ 33 57B 1 -20,-1.9 -20,-1.9 -2,-0.4 -43,-0.2 -0.991 38.1 104.8-125.8 125.5 -9.4 -2.5 10.4 78 78 A G S S- 0 0 2 -45,-2.5 2,-1.5 -2,-0.4 -43,-0.2 -0.986 74.4 -37.6-178.8-171.2 -7.2 -5.3 8.9 79 79 A P + 0 0 90 0, 0.0 72,-0.5 0, 0.0 -45,-0.1 -0.447 66.6 155.0 -76.2 87.2 -4.7 -8.1 9.6 80 80 A T - 0 0 13 -2,-1.5 -45,-0.1 70,-0.1 3,-0.1 -0.884 50.3-129.2-112.9 140.9 -2.5 -6.8 12.4 81 81 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.794 94.8 2.3 -50.7 -33.4 -0.6 -9.0 14.8 82 82 A V S S- 0 0 24 -50,-0.1 2,-0.2 -59,-0.0 -50,-0.1 -0.975 88.0 -95.8-156.2 147.3 -2.2 -7.1 17.8 83 83 A N - 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