==== 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 1TCW . COMPND 2 MOLECULE: SIV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SIMIAN IMMUNODEFICIENCY VIRUS; . 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) . 10102.0 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 . 70 35.4 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 . 5 2.5 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.5 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 1 1 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 2 3 0 1 3 0 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 96 0, 0.0 198,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-179.8 82.7 1.4 22.1 2 2 A Q E -A 198 0A 116 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.982 360.0-158.9-149.6 137.7 80.2 1.5 19.1 3 3 A F E -A 197 0A 47 194,-2.7 194,-2.5 -2,-0.3 5,-0.0 -0.992 8.0-155.9-121.4 123.6 76.5 0.7 19.1 4 4 A S - 0 0 61 -2,-0.5 190,-0.1 192,-0.2 191,-0.1 0.235 25.4-129.9 -85.8 8.1 75.1 -0.2 15.6 5 5 A L S S+ 0 0 3 1,-0.1 186,-0.2 2,-0.1 185,-0.1 0.600 79.8 111.0 56.9 10.0 71.4 0.7 16.2 6 6 A W S S+ 0 0 185 1,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.878 88.5 35.5 -75.0 -38.2 70.1 -2.6 14.8 7 7 A R S S- 0 0 191 3,-0.0 -2,-0.1 180,-0.0 -1,-0.1 -0.795 116.1 -88.0-104.6 148.1 69.0 -3.4 18.5 8 8 A R - 0 0 100 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.482 44.0-117.1 -62.3 123.3 67.8 -0.3 20.6 9 9 A P + 0 0 6 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.381 55.7 159.1 -59.5 70.7 71.0 1.1 22.3 10 10 A V E +D 23 0B 53 -2,-2.2 13,-0.3 13,-0.2 2,-0.3 -0.833 9.9 167.9-101.1 135.9 69.9 0.4 25.9 11 11 A V E -D 22 0B 15 11,-2.8 11,-2.9 -2,-0.4 2,-0.5 -0.773 36.8 -94.0-132.8-177.5 72.5 0.2 28.6 12 12 A T E +D 21 0B 64 -2,-0.3 55,-0.7 9,-0.2 2,-0.2 -0.925 36.4 178.2-106.1 134.5 72.7 0.1 32.4 13 13 A A E -DE 20 66B 0 7,-2.9 7,-2.6 -2,-0.5 2,-0.5 -0.683 22.0-143.6-122.6 161.3 73.2 3.4 34.4 14 14 A H E -DE 19 65B 77 51,-1.2 51,-1.0 5,-0.3 2,-0.6 -0.928 17.5-158.4-133.7 105.1 73.3 3.6 38.3 15 15 A I E > S-DE 18 64B 0 3,-3.2 3,-1.7 -2,-0.5 49,-0.2 -0.880 72.9 -30.3 -94.9 118.6 71.6 6.7 39.1 16 16 A E T 3 S- 0 0 85 47,-2.3 2,-0.5 -2,-0.6 -1,-0.2 0.771 131.3 -39.9 36.7 53.9 72.7 7.8 42.6 17 17 A G T 3 S+ 0 0 45 -3,-0.3 -1,-0.3 1,-0.2 47,-0.0 -0.381 118.0 108.2 99.6 -50.3 73.1 4.2 43.6 18 18 A Q E < -D 15 0B 83 -3,-1.7 -3,-3.2 -2,-0.5 2,-0.2 -0.443 66.0-128.4 -73.0 119.6 70.0 2.7 41.8 19 19 A P E +D 14 0B 89 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.400 32.8 171.4 -59.0 128.1 70.4 0.5 38.6 20 20 A V E -D 13 0B 17 -7,-2.6 -7,-2.9 -2,-0.2 2,-0.5 -0.999 34.4-130.0-148.4 140.0 68.4 1.5 35.5 21 21 A E E -D 12 0B 106 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.770 38.6-177.5 -83.3 121.1 68.2 0.4 31.8 22 22 A V E -D 11 0B 1 -11,-2.9 -11,-2.8 -2,-0.5 2,-0.5 -0.903 25.0-124.9-125.9 155.6 68.3 3.6 29.8 23 23 A L E -Df 10 84B 3 60,-2.6 62,-2.9 -2,-0.3 2,-1.0 -0.889 21.7-127.2-102.3 128.1 68.1 4.2 26.0 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.648 39.8-172.5 -74.1 102.6 71.0 6.2 24.4 25 25 A D > + 0 0 15 60,-3.0 3,-0.9 -2,-1.0 62,-0.4 -0.848 31.0 177.0-114.6 114.5 68.9 8.8 22.7 26 26 A T T 3 S+ 0 0 1 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.674 85.2 63.7 -81.8 -14.4 70.2 11.5 20.2 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.4 96,-0.1 -1,-0.2 0.486 89.6 86.0 -82.9 -6.7 66.7 12.8 19.6 28 28 A A < - 0 0 12 -3,-0.9 59,-2.9 57,-0.2 60,-0.2 -0.796 57.0-164.7-103.5 129.2 66.4 13.9 23.2 29 29 A D S S+ 0 0 56 -2,-0.4 59,-0.7 57,-0.2 -1,-0.2 0.893 81.1 24.9 -75.6 -34.5 67.6 17.3 24.5 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.519 81.8-106.6-123.5 177.9 67.3 15.9 28.2 31 31 A S - 0 0 1 43,-0.3 45,-2.1 54,-0.2 2,-0.4 -0.971 33.5-178.3-110.5 125.7 67.4 12.7 30.2 32 32 A I E +gH 76 84B 7 52,-1.4 52,-2.8 -2,-0.5 2,-0.3 -0.999 1.9 177.6-132.2 124.0 64.0 11.4 31.7 33 33 A V E -g 77 0B 0 43,-2.4 45,-1.1 -2,-0.4 2,-0.3 -0.898 9.7-161.3-122.7 150.3 63.7 8.3 33.8 34 34 A T + 0 0 62 -2,-0.3 3,-0.1 43,-0.2 45,-0.1 -0.843 67.2 46.8-125.8 159.6 60.7 6.7 35.5 35 35 A G S S+ 0 0 74 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.641 93.8 83.1 84.7 18.9 60.6 4.2 38.4 36 36 A I - 0 0 5 -3,-0.2 2,-0.4 -16,-0.0 -1,-0.3 -0.907 65.2-151.8-143.2 154.0 63.1 5.9 40.6 37 37 A E - 0 0 166 -2,-0.3 -3,-0.0 -3,-0.1 40,-0.0 -0.992 10.3-175.0-138.5 126.9 62.1 8.8 42.8 38 38 A L - 0 0 31 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.318 44.5-101.6-109.1 0.6 64.8 11.3 43.6 39 39 A G - 0 0 33 1,-0.1 -1,-0.3 20,-0.0 0, 0.0 -0.325 36.3 -57.9 115.4 174.2 63.0 13.5 46.2 40 40 A P S S+ 0 0 101 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.709 100.7 84.2 -79.1 -19.1 61.2 16.8 47.0 41 41 A H + 0 0 168 -3,-0.2 2,-0.3 16,-0.0 16,-0.0 -0.675 65.8 116.5 -88.3 90.0 63.9 19.3 46.0 42 42 A Y - 0 0 84 -2,-1.5 17,-0.2 17,-0.1 15,-0.0 -0.921 61.4-121.9-147.0 167.3 63.2 19.6 42.3 43 43 A T E -I 58 0B 69 15,-1.8 15,-2.6 -2,-0.3 2,-0.2 -0.955 33.4-123.0-115.9 123.4 62.2 22.2 39.8 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.528 35.9 177.1 -63.4 142.3 59.0 21.4 37.7 45 45 A K E -I 56 0B 85 11,-2.4 11,-2.8 -2,-0.2 2,-0.4 -0.904 26.0-141.8-144.9 163.8 59.4 21.5 33.9 46 46 A I E +I 55 0B 97 -2,-0.3 2,-0.3 9,-0.3 9,-0.3 -0.992 24.1 178.0-124.9 130.8 57.2 20.8 30.8 47 47 A V E -I 54 0B 24 7,-1.9 7,-2.5 -2,-0.4 2,-0.4 -0.921 23.0-125.0-130.0 164.0 58.9 19.0 27.9 48 48 A G E +I 53 0B 47 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.882 28.1 172.4-116.3 134.8 57.3 17.9 24.5 49 49 A G - 0 0 14 3,-1.1 102,-0.1 -2,-0.4 4,-0.0 -0.495 52.6 -76.1-115.4-151.9 57.3 14.4 23.1 50 50 A I S S+ 0 0 29 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.859 129.7 40.2 -87.0 -29.7 55.6 12.9 20.1 51 51 A G S S- 0 0 30 99,-2.6 100,-0.3 1,-0.4 2,-0.3 0.545 124.3 -88.8 -95.1 -6.4 52.2 12.6 21.7 52 52 A G - 0 0 27 98,-0.9 -3,-1.1 100,-0.1 -1,-0.4 -0.783 65.6 -13.3 133.4-172.6 52.4 16.0 23.4 53 53 A F E -I 48 0B 166 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.418 47.2-178.8 -74.8 130.3 53.5 17.8 26.5 54 54 A I E -I 47 0B 18 -7,-2.5 -7,-1.9 -2,-0.2 2,-0.4 -0.745 24.4-124.0-120.9 166.9 54.4 16.2 29.9 55 55 A N E -I 46 0B 125 -9,-0.3 24,-0.5 -2,-0.3 2,-0.3 -0.907 30.9-170.8-108.6 140.0 55.5 17.7 33.2 56 56 A T E -I 45 0B 6 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.5 -0.871 25.9-127.1-132.3 163.6 58.8 16.5 34.7 57 57 A K E -IJ 44 77B 86 20,-2.1 20,-2.1 -2,-0.3 2,-0.5 -0.939 30.3-149.9-106.8 121.8 60.6 16.9 38.0 58 58 A E E -IJ 43 76B 16 -15,-2.6 -15,-1.8 -2,-0.5 2,-0.5 -0.914 13.9-174.3-106.0 126.6 64.2 18.2 37.3 59 59 A Y E - J 0 75B 18 16,-2.9 16,-2.5 -2,-0.5 3,-0.3 -0.978 10.9-155.2-119.9 122.3 67.0 17.2 39.6 60 60 A K E + 0 0 131 -2,-0.5 14,-0.2 14,-0.2 13,-0.0 -0.624 69.6 24.8 -94.9 153.9 70.4 18.9 39.0 61 61 A N E S+ 0 0 111 -2,-0.2 2,-0.4 1,-0.2 13,-0.2 0.815 71.8 167.0 60.2 34.7 73.8 17.3 40.0 62 62 A V E - J 0 73B 4 11,-3.3 11,-2.1 -3,-0.3 2,-0.3 -0.639 36.6-126.9 -77.2 125.7 72.7 13.7 40.0 63 63 A K E - J 0 72B 108 -2,-0.4 -47,-2.3 9,-0.2 2,-0.3 -0.665 35.8-177.0 -78.1 139.0 75.8 11.4 40.2 64 64 A I E -EJ 15 71B 5 7,-3.1 7,-3.0 -2,-0.3 2,-0.4 -0.966 21.6-165.5-136.6 149.5 75.6 8.9 37.3 65 65 A E E +EJ 14 70B 71 -51,-1.0 -51,-1.2 -2,-0.3 2,-0.3 -0.986 22.4 155.6-141.2 116.9 77.8 5.9 36.2 66 66 A V E > -EJ 13 69B 1 3,-1.6 3,-1.8 -2,-0.4 -53,-0.2 -0.961 68.1 -13.9-144.2 136.2 77.2 4.5 32.8 67 67 A L T 3 S- 0 0 54 -55,-0.7 -56,-0.0 -2,-0.3 26,-0.0 -0.452 131.3 -34.9 56.8-136.5 79.8 2.6 30.8 68 68 A G T 3 S+ 0 0 71 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.272 114.2 106.5 -99.0 24.8 83.0 3.3 32.7 69 69 A K E < - J 0 66B 81 -3,-1.8 -3,-1.6 2,-0.0 2,-0.6 -0.829 52.8-158.3-118.5 144.5 82.3 6.8 33.7 70 70 A R E + J 0 65B 211 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.950 34.9 157.0-107.7 117.5 81.3 8.6 36.7 71 71 A I E - J 0 64B 33 -7,-3.0 -7,-3.1 -2,-0.6 2,-0.4 -0.833 35.2-132.3-133.6 175.3 79.6 11.9 35.8 72 72 A K E + J 0 63B 123 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.980 39.6 143.1-131.0 137.4 77.2 14.4 37.3 73 73 A G E - 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