==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEASE) 05-JUN-96 1TCX . COMPND 2 MOLECULE: HIV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.S.HOOG,S.S.ABDEL-MEGUID . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9801.0 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 . 14 7.1 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 . 20 10.1 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 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 . 2 2 3 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 86 0, 0.0 198,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.5 30.2 39.5 4.8 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.4 194,-0.0 196,-0.2 -0.874 360.0-160.1 -99.4 136.8 30.1 37.0 1.9 3 3 A I E -A 197 0A 34 194,-2.7 194,-2.2 -2,-0.4 2,-0.2 -0.987 4.1-147.4-123.8 129.9 29.1 33.5 3.0 4 4 A T E -A 196 0A 64 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.598 10.8-139.5 -88.9 158.3 29.9 30.3 0.9 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 -2,-0.2 185,-0.1 0.058 74.9 105.2-105.4 23.4 27.6 27.4 0.9 6 6 A W S S+ 0 0 169 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.859 94.5 28.6 -67.5 -35.8 30.3 24.7 0.9 7 7 A Q S S- 0 0 139 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.805 111.9 -80.5-117.6 159.5 29.4 24.3 4.6 8 8 A R - 0 0 115 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.375 48.5-113.1 -59.5 139.3 26.0 24.9 6.2 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.510 51.2 165.2 -87.2 77.4 25.6 28.8 6.9 10 10 A L E +D 23 0B 78 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.729 7.8 175.3 -90.3 135.1 25.6 28.8 10.8 11 11 A V E -D 22 0B 16 11,-2.8 11,-2.8 -2,-0.3 2,-0.4 -0.908 33.5-106.5-139.8 162.1 26.1 32.0 12.6 12 12 A T E -D 21 0B 66 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.751 37.1-176.5 -91.2 135.8 26.0 33.2 16.2 13 13 A I E -DE 20 66B 1 7,-2.7 7,-2.6 -2,-0.4 2,-0.5 -0.862 19.0-138.4-128.4 158.7 23.0 35.2 17.2 14 14 A K E +DE 19 65B 77 51,-1.7 51,-1.7 -2,-0.3 2,-0.4 -0.990 26.6 169.9-125.8 119.6 22.3 36.9 20.6 15 15 A I E > -D 18 0B 2 3,-3.3 3,-1.7 -2,-0.5 49,-0.1 -0.986 68.9 -15.1-138.9 121.0 18.7 36.5 22.0 16 16 A G T 3 S- 0 0 61 -2,-0.4 2,-0.3 47,-0.4 -1,-0.1 0.931 126.4 -54.2 53.1 53.8 17.7 37.5 25.5 17 17 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.133 117.9 114.0 69.5 -25.4 21.3 37.7 26.7 18 18 A Q E < -D 15 0B 95 -3,-1.7 -3,-3.3 -2,-0.3 2,-0.3 -0.605 59.6-145.0 -82.1 138.5 21.8 34.1 25.4 19 19 A L E +D 14 0B 104 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.825 29.0 171.0 -95.1 144.0 24.3 33.6 22.5 20 20 A K E -D 13 0B 41 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.4 -0.934 35.3-114.5-150.4 163.9 23.2 30.7 20.0 21 21 A E E +D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.874 38.4 178.9-103.2 138.9 24.1 29.2 16.6 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.4 -0.984 28.4-120.2-142.9 147.2 21.5 29.5 14.0 23 23 A L E -Df 10 84B 6 60,-2.7 62,-2.7 -2,-0.3 2,-1.0 -0.770 21.3-132.8 -86.3 127.9 21.2 28.5 10.4 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.4 62,-0.1 -0.755 35.3-173.1 -84.6 107.0 20.6 31.4 7.8 25 25 A D > - 0 0 16 60,-2.3 3,-1.5 -2,-1.0 62,-0.3 -0.842 29.6-179.7-110.7 106.5 17.8 29.8 5.8 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.678 88.8 60.5 -77.6 -11.1 16.4 31.3 2.6 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.490 89.9 87.3 -86.3 -3.7 13.8 28.4 2.3 28 28 A A < - 0 0 13 -3,-1.5 59,-2.9 57,-0.2 60,-0.2 -0.861 57.2-168.6 -96.8 110.7 12.4 29.5 5.8 29 29 A D S S+ 0 0 52 -2,-0.6 59,-1.6 57,-0.2 2,-0.2 0.949 76.6 30.1 -63.6 -42.6 9.6 32.1 5.6 30 30 A D S S- 0 0 42 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.680 86.4-107.2-114.6 164.4 9.8 32.6 9.5 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.8 -2,-0.2 2,-0.4 -0.764 35.0-171.1 -92.5 132.0 12.4 32.4 12.2 32 32 A I E -gH 76 84B 10 52,-2.0 52,-2.9 -2,-0.4 2,-0.3 -1.000 0.6-169.1-128.0 127.4 12.0 29.3 14.5 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.4 -2,-0.4 47,-0.3 -0.743 30.2-100.0-115.9 155.6 14.0 28.7 17.6 34 34 A E S S- 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.462 70.0 -56.5 -69.4 152.7 14.3 25.6 19.8 35 35 A E S S+ 0 0 110 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.015 80.4 138.3 -36.3 116.8 12.2 25.6 23.0 36 36 A M - 0 0 19 -3,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.955 53.1 -89.9-158.2 171.5 12.9 28.6 25.3 37 37 A S + 0 0 106 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.778 39.9 170.1 -96.3 119.6 11.5 31.3 27.5 38 38 A L - 0 0 16 -2,-0.6 2,-0.2 2,-0.1 39,-0.0 -0.976 31.3-120.0-129.7 137.6 10.5 34.5 25.9 39 39 A P + 0 0 111 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.536 68.9 43.8 -74.8 149.0 8.6 37.2 27.7 40 40 A G S S- 0 0 62 -2,-0.2 2,-0.3 19,-0.1 -2,-0.1 -0.563 93.0 -49.4 110.7-179.0 5.2 38.4 26.5 41 41 A R - 0 0 236 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.687 50.8-164.5 -95.1 147.9 2.1 36.9 25.2 42 42 A W - 0 0 121 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.867 9.9-146.9-129.7 161.2 2.2 34.3 22.4 43 43 A K E -I 58 0B 113 15,-1.5 15,-3.3 -2,-0.3 2,-0.3 -0.882 29.0-108.4-125.3 149.9 -0.4 32.9 20.1 44 44 A P E +I 57 0B 71 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.659 39.3 170.9 -83.9 147.6 -0.4 29.3 18.7 45 45 A K E -I 56 0B 64 11,-1.8 11,-2.0 -2,-0.3 2,-0.4 -0.935 28.3-136.1-145.4 162.1 0.4 28.5 15.1 46 46 A M E -I 55 0B 107 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 24.1-172.7-121.6 129.7 1.1 25.3 13.1 47 47 A V E -I 54 0B 25 7,-2.3 7,-2.4 -2,-0.4 2,-0.4 -0.934 8.3-148.7-123.3 147.6 4.1 25.5 10.6 48 48 A G E +I 53 0B 38 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.926 24.7 150.3-124.1 141.5 5.1 22.8 8.0 49 49 A G E > -I 52 0B 23 3,-2.6 3,-1.3 -2,-0.4 2,-0.1 -0.557 63.4 -35.7-133.0-152.6 8.3 21.6 6.4 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-2.4 -2,-0.2 102,-0.3 -0.484 134.1 27.7 -69.3 141.2 9.5 18.3 5.0 51 51 A G T 3 S- 0 0 38 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.117 122.4 -91.2 89.5 -23.7 8.0 15.7 7.1 52 52 A G E < -I 49 0B 22 -3,-1.3 -3,-2.6 100,-0.1 2,-0.3 -0.871 62.6 -16.3 125.0-157.5 4.9 17.7 8.1 53 53 A F E -I 48 0B 141 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.693 38.5-171.5-104.9 144.2 3.7 20.2 10.6 54 54 A I E -I 47 0B 25 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.4 -0.910 26.0-120.0-130.0 154.2 4.7 21.2 14.2 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.830 37.3 175.2 -95.8 134.6 2.9 23.4 16.7 56 56 A V E -I 45 0B 3 -11,-2.0 -11,-1.8 -2,-0.4 2,-0.5 -0.840 33.5-117.3-134.3 167.1 4.8 26.5 17.8 57 57 A R E -IJ 44 77B 55 20,-2.4 20,-2.0 -2,-0.3 2,-0.5 -0.937 31.3-143.3-106.3 123.3 4.2 29.5 20.1 58 58 A Q E -IJ 43 76B 23 -15,-3.3 -15,-1.5 -2,-0.5 2,-0.4 -0.822 17.3-174.8 -93.9 124.5 4.4 32.8 18.0 59 59 A Y E - J 0 75B 9 16,-2.5 16,-2.6 -2,-0.5 3,-0.3 -0.952 13.5-147.1-115.8 134.2 6.0 35.9 19.7 60 60 A D E + 0 0 87 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.675 68.7 17.2-102.8 156.3 5.9 39.2 17.9 61 61 A Q E S+ 0 0 155 -2,-0.2 2,-0.3 1,-0.2 13,-0.2 0.814 71.6 161.4 47.4 59.7 8.5 41.9 18.0 62 62 A I E - J 0 73B 22 11,-2.6 11,-2.5 -3,-0.3 2,-0.4 -0.747 33.7-134.3-101.9 139.0 11.4 40.1 19.4 63 63 A L E + J 0 72B 96 -2,-0.3 -47,-0.4 9,-0.2 2,-0.4 -0.816 28.5 174.3 -98.2 134.1 14.8 41.8 19.0 64 64 A I E - J 0 71B 1 7,-2.8 7,-2.0 -2,-0.4 2,-0.5 -0.987 24.8-139.8-144.9 141.1 17.7 39.6 17.8 65 65 A E E -EJ 14 70B 58 -51,-1.7 -51,-1.7 -2,-0.4 2,-0.6 -0.965 13.8-168.4-105.8 122.2 21.2 40.4 16.8 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-1.6 -2,-0.5 -53,-0.2 -0.961 77.8 -27.7-115.4 104.5 22.5 38.5 13.8 67 67 A C T 3 S- 0 0 55 -55,-1.3 -1,-0.2 -2,-0.6 -54,-0.1 0.973 128.8 -43.9 53.5 59.1 26.3 39.1 13.6 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.238 114.5 116.3 76.1 -18.0 26.1 42.5 15.3 69 69 A H E < - 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