==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-99 1D4L . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.D.TYNDALL,R.C.REID,D.P.TYSSEN,D.K.JARDINE,B.TODD, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9566.0 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 . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 26 13.1 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 . 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 0 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 PARALLEL BRIDGES PER LADDER . 2 0 5 0 0 3 1 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 75 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.5 -2.5 6.8 34.6 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.932 360.0-163.6-103.5 123.7 1.3 6.3 34.5 3 3 A I E -A 197 0A 33 194,-3.1 194,-2.4 -2,-0.5 2,-0.2 -0.944 4.6-152.0-113.8 126.1 2.2 3.1 32.6 4 4 A T E -A 196 0A 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.2 -0.553 15.9-130.3 -89.2 165.4 5.6 1.5 32.9 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 -2,-0.2 185,-0.1 0.165 75.5 105.1-109.6 23.1 7.1 -0.6 30.0 6 6 A W S S+ 0 0 172 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.792 93.7 31.8 -69.7 -25.9 8.3 -3.9 31.7 7 7 A K S S- 0 0 166 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.804 111.7 -79.5-123.9 163.3 5.2 -5.5 30.1 8 8 A R - 0 0 102 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.431 47.9-115.8 -62.8 137.0 3.5 -4.6 26.8 9 9 A P + 0 0 4 0, 0.0 15,-2.3 0, 0.0 2,-0.4 -0.468 52.7 165.6 -78.0 71.1 1.2 -1.5 27.4 10 10 A L E +D 23 0B 60 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.748 7.4 173.7 -89.8 134.6 -2.0 -3.3 26.7 11 11 A V E -D 22 0B 16 11,-2.6 11,-2.4 -2,-0.4 2,-0.4 -0.947 34.2-105.0-138.2 157.7 -5.3 -1.6 27.7 12 12 A T E -D 21 0B 78 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.677 38.4-175.7 -84.5 134.7 -9.0 -2.3 27.3 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.2 -2,-0.4 2,-0.5 -0.858 20.1-138.8-124.7 160.7 -10.8 -0.1 24.8 14 14 A R E +DE 19 65B 107 51,-1.9 51,-2.1 -2,-0.3 2,-0.4 -0.988 28.9 166.4-123.0 118.4 -14.4 0.2 23.8 15 15 A I E > -DE 18 64B 1 3,-2.9 3,-2.4 -2,-0.5 49,-0.1 -0.999 67.4 -5.7-135.7 132.6 -15.1 0.5 20.1 16 16 A G T 3 S- 0 0 53 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.744 128.6 -57.3 57.2 29.5 -18.5 0.1 18.4 17 17 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.358 118.4 111.9 84.4 -5.7 -20.1 -1.0 21.7 18 18 A Q E < -D 15 0B 103 -3,-2.4 -3,-2.9 0, 0.0 2,-0.3 -0.784 63.6-132.7-103.9 145.8 -17.5 -3.8 21.9 19 19 A L E +D 14 0B 114 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.732 34.2 161.7 -94.1 144.5 -14.6 -4.3 24.4 20 20 A K E -D 13 0B 34 -7,-2.2 -7,-3.1 -2,-0.3 2,-0.4 -0.961 37.8-112.5-154.8 162.3 -11.1 -5.2 23.1 21 21 A E E +D 12 0B 109 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.882 37.8 177.7-102.2 138.9 -7.5 -5.2 24.1 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.987 28.0-121.0-143.6 150.5 -5.1 -2.8 22.3 23 23 A L E -Df 10 84B 3 60,-2.9 62,-3.1 -2,-0.3 2,-0.9 -0.784 21.6-132.0 -94.6 126.2 -1.4 -1.8 22.5 24 24 A L E - f 0 85B 0 -15,-2.3 2,-0.6 -2,-0.5 62,-0.1 -0.723 34.7-172.8 -77.6 110.4 -0.6 1.9 23.1 25 25 A D > - 0 0 16 60,-2.6 3,-1.6 -2,-0.9 62,-0.3 -0.863 26.2-179.1-119.0 100.9 2.0 2.3 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.674 86.3 62.4 -69.6 -16.0 4.0 5.6 20.2 27 27 A G T 3 S+ 0 0 22 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.400 87.8 87.4 -89.3 4.7 5.7 4.2 17.1 28 28 A A < - 0 0 16 -3,-1.6 59,-2.9 57,-0.2 60,-0.2 -0.901 57.4-163.3-108.5 127.1 2.5 4.0 15.1 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.909 78.3 32.2 -69.5 -38.2 1.2 7.0 13.1 30 30 A D S S- 0 0 72 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.666 82.5-108.4-118.9 170.3 -2.3 5.5 12.9 31 31 A T - 0 0 1 43,-0.4 45,-3.0 -2,-0.2 2,-0.5 -0.856 33.9-175.3-101.7 121.8 -4.7 3.3 14.8 32 32 A V E -gH 76 84B 5 52,-1.1 52,-2.9 -2,-0.5 2,-0.3 -0.982 1.7-170.2-126.3 122.3 -5.2 -0.2 13.3 33 33 A I E -g 77 0B 1 43,-3.3 45,-2.4 -2,-0.5 3,-0.2 -0.823 30.8 -99.2-112.4 147.6 -7.7 -2.7 14.6 34 34 A E - 0 0 75 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.179 64.6 -66.8 -58.6 158.3 -8.1 -6.4 13.8 35 35 A E S S+ 0 0 105 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.217 78.6 136.4 -53.2 125.3 -10.9 -7.3 11.3 36 36 A M - 0 0 18 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.955 57.1 -84.4-160.4 171.9 -14.3 -6.5 12.8 37 37 A N + 0 0 148 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.810 44.1 173.9 -93.2 118.5 -17.7 -5.0 11.9 38 38 A L - 0 0 13 -2,-0.6 -2,-0.0 2,-0.1 39,-0.0 -0.978 30.9-116.4-123.6 134.1 -17.9 -1.2 12.4 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.254 72.8 37.7 -66.3 159.0 -20.9 0.9 11.4 40 40 A G S S- 0 0 62 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.176 94.7 -46.9 94.0 172.9 -20.6 3.5 8.7 41 41 A K - 0 0 92 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.395 49.5-163.9 -79.7 157.0 -18.8 3.8 5.4 42 42 A W - 0 0 107 17,-0.1 17,-0.2 -2,-0.1 34,-0.0 -0.983 10.2-142.9-141.1 149.7 -15.1 2.9 4.9 43 43 A K E -I 58 0B 47 15,-2.0 15,-3.8 -2,-0.3 2,-0.2 -0.885 28.6-111.2-112.8 144.0 -12.6 3.7 2.2 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.582 47.7 164.4 -74.0 140.8 -9.9 1.2 1.1 45 45 A K E -I 56 0B 26 11,-2.4 11,-3.2 -2,-0.2 2,-0.4 -0.937 30.2-132.8-149.1 165.4 -6.4 2.3 2.1 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.989 19.7-172.5-126.0 135.3 -2.9 0.8 2.4 47 47 A I E -I 54 0B 21 7,-2.0 7,-2.5 -2,-0.4 2,-0.3 -0.947 11.4-140.1-127.2 152.4 -0.6 1.2 5.4 48 48 A G E +I 53 0B 40 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.703 25.1 153.1-113.1 162.2 3.0 0.2 5.9 49 49 A G - 0 0 34 3,-2.1 3,-0.2 -2,-0.3 100,-0.0 -0.646 61.8 -48.6-153.6-147.6 5.1 -1.3 8.7 50 50 A I S S+ 0 0 31 -2,-0.2 103,-0.1 1,-0.2 3,-0.1 0.915 130.9 37.2 -71.2 -43.7 8.2 -3.4 9.2 51 51 A G S S- 0 0 30 101,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.480 121.6 -86.6 -90.2 -2.5 7.4 -6.2 6.8 52 52 A G - 0 0 27 -3,-0.2 -3,-2.1 100,-0.2 99,-0.4 -0.975 65.0 -29.8 137.8-150.5 5.8 -4.2 4.0 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.823 43.3-168.6-111.9 147.4 2.2 -2.9 3.2 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.5 -0.886 26.1-114.0-127.5 159.1 -1.2 -4.3 4.0 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.835 40.0 175.7 -95.3 130.2 -4.7 -3.4 2.8 56 56 A V E -I 45 0B 7 -11,-3.2 -11,-2.4 -2,-0.5 2,-0.5 -0.835 33.1-117.3-130.8 165.2 -7.0 -1.9 5.4 57 57 A R E -IJ 44 77B 70 20,-2.9 20,-2.7 -2,-0.3 2,-0.6 -0.925 31.1-142.3-102.5 125.1 -10.6 -0.4 5.6 58 58 A Q E -IJ 43 76B 56 -15,-3.8 -15,-2.0 -2,-0.5 2,-0.5 -0.831 17.0-172.6 -95.6 119.5 -10.5 3.2 6.7 59 59 A Y E - J 0 75B 5 16,-2.7 16,-2.5 -2,-0.6 3,-0.3 -0.925 12.6-148.6-108.2 130.7 -13.3 4.4 9.0 60 60 A D E + 0 0 97 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.698 66.6 6.5-101.8 150.3 -13.5 8.1 9.9 61 61 A Q E S+ 0 0 163 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.828 78.0 165.7 51.2 47.7 -14.7 9.9 13.0 62 62 A I E - J 0 73B 17 11,-2.7 11,-2.1 -3,-0.3 2,-0.3 -0.774 36.6-124.8 -95.6 130.5 -15.2 6.7 15.1 63 63 A P E - J 0 72B 66 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.588 32.4-179.9 -75.9 129.7 -15.6 7.1 18.9 64 64 A V E -EJ 15 71B 2 7,-2.9 7,-2.1 -2,-0.3 2,-0.6 -0.998 18.0-151.6-132.6 133.0 -13.1 5.1 20.9 65 65 A E E -EJ 14 70B 59 -51,-2.1 -51,-1.9 -2,-0.4 2,-0.6 -0.937 12.3-168.7-109.0 115.3 -12.8 4.9 24.7 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.6 -53,-0.2 -0.922 71.8 -32.1-109.0 108.4 -9.3 4.2 25.9 67 67 A X T 3 S- 0 0 52 -55,-1.7 -1,-0.2 -2,-0.6 -54,-0.1 0.879 127.9 -44.2 49.5 42.6 -9.0 3.3 29.6 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.376 116.8 114.4 87.1 -4.0 -12.0 5.6 30.3 69 69 A H E < - J 0 66B 66 -3,-2.2 -3,-3.1 1,-0.0 2,-0.3 -0.842 61.3-129.5-104.3 137.3 -10.8 8.5 28.1 70 70 A K E + J 0 65B 108 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.617 29.1 168.2 -91.8 140.3 -12.7 9.5 25.0 71 71 A A E - J 0 64B 1 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.4 -0.954 15.5-163.4-139.3 154.4 -11.3 9.9 21.5 72 72 A I E + J 0 63B 81 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.922 42.1 97.0-142.5 114.9 -13.0 10.3 18.1 73 73 A G E - 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