==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-07 2R3T . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.BOETTCHER,A.BLUM,A.HEINE,W.E.DIEDERICH,G.KLEBE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 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 . 22 11.1 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 . 7 3.5 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 1 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 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 3 2 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 85 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.3 -29.5 4.1 -18.3 2 2 A Q E -A 198 0A 144 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.957 360.0-154.0-105.2 121.8 -29.1 6.3 -21.4 3 3 A I E -A 197 0A 32 194,-3.6 194,-2.0 -2,-0.5 2,-0.0 -0.905 3.1-141.2-112.4 119.9 -28.1 9.8 -20.2 4 4 A T - 0 0 61 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.193 3.9-146.4 -63.6 155.0 -28.9 12.9 -22.2 5 5 A L S S+ 0 0 2 190,-0.3 186,-0.2 1,-0.1 -1,-0.1 0.277 74.3 102.7-113.6 12.8 -26.4 15.8 -22.5 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.865 98.0 23.2 -56.6 -32.1 -28.9 18.6 -22.7 7 7 A Q S S- 0 0 126 -3,-0.2 -1,-0.0 180,-0.0 0, 0.0 -0.873 112.4 -73.7-125.0 163.8 -27.9 19.0 -19.0 8 8 A R - 0 0 100 -2,-0.3 2,-1.5 1,-0.1 119,-0.1 -0.348 49.6-117.9 -55.8 135.5 -24.8 18.1 -17.1 9 9 A P + 0 0 4 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.617 46.1 176.4 -79.8 86.7 -24.8 14.3 -16.6 10 10 A L E +D 23 0B 80 -2,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.753 4.5 177.5 -97.1 134.4 -24.8 14.3 -12.8 11 11 A V E -D 22 0B 11 11,-3.2 11,-3.0 -2,-0.4 2,-0.4 -0.923 30.2-114.0-131.3 159.4 -25.0 11.1 -10.7 12 12 A T E -D 21 0B 78 -2,-0.3 55,-1.7 9,-0.2 2,-0.3 -0.780 35.5-174.2 -93.2 140.1 -25.0 10.2 -7.1 13 13 A I E -DE 20 66B 2 7,-3.0 7,-2.9 -2,-0.4 2,-0.4 -0.898 17.8-141.4-127.3 159.1 -22.1 8.2 -5.9 14 14 A K E +DE 19 65B 91 51,-2.0 51,-2.7 -2,-0.3 2,-0.3 -0.993 31.6 153.7-125.6 128.8 -21.2 6.6 -2.6 15 15 A I E > +D 18 0B 2 3,-2.4 3,-2.1 -2,-0.4 49,-0.1 -0.966 65.9 6.0-156.7 132.1 -17.6 6.7 -1.3 16 16 A G T 3 S- 0 0 56 47,-0.4 3,-0.1 -2,-0.3 21,-0.1 0.866 129.3 -62.4 61.2 30.7 -16.2 6.5 2.2 17 17 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.535 116.3 113.8 71.8 2.5 -19.7 5.8 3.4 18 18 A Q E < -D 15 0B 72 -3,-2.1 -3,-2.4 2,-0.0 2,-0.4 -0.813 63.1-132.7-111.4 149.8 -20.8 9.2 2.1 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.820 33.0 170.0 -94.3 138.4 -23.2 10.1 -0.7 20 20 A K E -D 13 0B 34 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.4 -0.926 33.5-118.3-143.2 163.6 -22.1 12.8 -3.2 21 21 A E E +D 12 0B 118 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.918 37.7 178.0-102.8 132.0 -23.1 14.3 -6.5 22 22 A A E -D 11 0B 2 -11,-3.0 -11,-3.2 -2,-0.4 2,-0.4 -0.983 27.8-122.0-142.1 151.5 -20.6 13.9 -9.4 23 23 A L E -Df 10 84B 2 60,-2.4 62,-3.2 -2,-0.3 2,-0.8 -0.767 23.5-129.4 -87.5 125.3 -20.3 14.8 -13.0 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.4 62,-0.2 -0.676 37.1-174.7 -77.8 109.0 -19.8 12.0 -15.6 25 25 A D > + 0 0 18 60,-3.2 3,-1.1 -2,-0.8 62,-0.4 -0.855 28.5 179.2-125.0 101.7 -16.8 13.4 -17.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.616 85.6 64.1 -73.7 -12.0 -15.2 11.8 -20.6 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.682 88.1 82.6 -81.9 -20.9 -12.7 14.6 -20.8 28 28 A A < - 0 0 17 -3,-1.1 59,-2.6 57,-0.2 60,-0.3 -0.727 61.7-160.6 -92.3 123.9 -11.1 13.6 -17.5 29 29 A D S S+ 0 0 61 -2,-0.5 59,-1.8 57,-0.2 2,-0.3 0.943 80.0 25.6 -65.4 -42.3 -8.6 10.8 -17.4 30 30 A D S S- 0 0 41 57,-0.2 2,-0.2 56,-0.1 57,-0.1 -0.855 88.7 -99.4-123.0 157.0 -9.0 10.3 -13.7 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.6 -2,-0.3 2,-0.4 -0.509 35.8-167.6 -69.1 137.3 -11.7 10.9 -11.1 32 32 A V E -gH 76 84B 10 52,-1.7 52,-3.2 43,-0.2 2,-0.3 -0.980 6.2-179.1-137.5 122.3 -11.4 14.0 -8.9 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.1 -2,-0.4 47,-0.3 -0.823 32.3 -98.1-119.0 153.6 -13.4 14.8 -5.8 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.225 71.0 -53.8 -61.7 162.1 -13.5 17.7 -3.3 35 35 A E S S+ 0 0 110 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.074 79.0 139.7 -47.3 129.2 -11.5 17.4 -0.1 36 36 A M - 0 0 14 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.956 52.5 -97.7-163.5 158.9 -12.4 14.3 1.9 37 37 A S + 0 0 99 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.649 39.8 177.0 -83.7 144.9 -10.6 11.6 3.9 38 38 A L - 0 0 16 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.980 27.4-110.4-145.4 150.2 -9.7 8.3 2.2 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.451 69.5 20.8 -83.2 151.9 -7.9 5.3 3.5 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.257 95.1 -27.2 94.7-176.8 -4.4 4.1 2.5 41 41 A R - 0 0 234 -2,-0.1 19,-0.6 19,-0.0 2,-0.3 -0.280 55.7-179.6 -68.7 153.0 -1.3 5.6 0.9 42 42 A W E -I 59 0B 129 17,-0.2 17,-0.2 -2,-0.0 -2,-0.0 -0.964 14.1-152.6-146.3 167.1 -1.5 8.5 -1.5 43 43 A K E -I 58 0B 124 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.995 26.2-108.2-142.0 150.7 0.9 10.6 -3.5 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.450 39.9 162.6 -79.9 148.8 0.7 14.3 -4.7 45 45 A K E -I 56 0B 78 11,-2.3 11,-2.5 -2,-0.1 2,-0.4 -0.955 30.4-125.4-151.6 165.8 0.1 15.3 -8.3 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.953 21.9-172.6-115.7 138.1 -1.0 18.4 -10.2 47 47 A I E +I 54 0B 33 7,-2.7 7,-2.8 -2,-0.4 2,-0.3 -0.949 12.1 170.5-127.3 156.2 -3.8 18.5 -12.6 48 48 A G E +I 53 0B 34 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.966 17.8 146.8-156.9 168.7 -4.9 21.3 -14.9 49 49 A G E > -I 52 0B 22 3,-2.4 3,-2.5 -2,-0.3 100,-0.1 -0.830 67.2 -1.2-173.5-150.4 -6.9 22.8 -17.7 50 50 A V T 3 S+ 0 0 19 1,-0.3 101,-0.9 -2,-0.2 102,-0.5 -0.296 132.3 19.4 -57.7 133.7 -8.4 26.1 -18.6 51 51 A G T 3 S- 0 0 38 128,-0.2 -1,-0.3 100,-0.2 2,-0.3 0.297 123.5 -80.5 91.1 -11.3 -7.7 28.5 -15.8 52 52 A G E < -I 49 0B 25 -3,-2.5 -3,-2.4 100,-0.1 99,-0.6 -0.777 53.5 -49.7 125.4-168.4 -4.8 26.5 -14.3 53 53 A F E -I 48 0B 138 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.3 -0.813 32.6-160.1-115.3 150.4 -3.7 23.6 -12.2 54 54 A I E -I 47 0B 18 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.4 -0.947 23.9-115.1-128.7 154.9 -4.5 22.4 -8.7 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.749 39.2 175.7 -87.9 135.7 -2.7 20.1 -6.3 56 56 A V E -I 45 0B 2 -11,-2.5 -11,-2.3 -2,-0.4 2,-0.5 -0.911 30.7-122.2-134.9 159.4 -4.4 16.8 -5.5 57 57 A R E -IJ 44 77B 48 20,-2.5 20,-2.5 -2,-0.3 2,-0.7 -0.920 26.3-141.7-104.5 127.8 -3.6 13.7 -3.5 58 58 A Q E -IJ 43 76B 28 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.4 -0.816 19.0-176.7 -96.2 115.8 -3.8 10.5 -5.6 59 59 A Y E -IJ 42 75B 9 16,-2.5 16,-2.9 -2,-0.7 3,-0.3 -0.917 10.8-155.6-107.1 136.5 -5.3 7.5 -3.8 60 60 A D E + 0 0 67 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.0 -0.723 64.9 25.7-110.9 165.7 -5.4 4.2 -5.6 61 61 A Q E S+ 0 0 160 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.926 77.4 164.1 54.6 49.0 -7.6 1.1 -5.3 62 62 A I E - J 0 73B 10 11,-3.0 11,-1.8 -3,-0.3 2,-0.4 -0.816 34.7-130.3 -99.8 139.8 -10.6 3.0 -3.9 63 63 A L E + J 0 72B 116 -2,-0.4 -47,-0.4 9,-0.2 2,-0.3 -0.723 32.7 172.3 -91.3 137.9 -14.0 1.5 -3.8 64 64 A I E - J 0 71B 5 7,-2.5 7,-3.0 -2,-0.4 2,-0.5 -0.993 27.4-143.8-142.8 141.6 -16.8 3.6 -5.2 65 65 A E E -EJ 14 70B 76 -51,-2.7 -51,-2.0 -2,-0.3 2,-0.5 -0.958 19.6-176.6-107.2 125.7 -20.5 3.0 -6.0 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-0.9 -2,-0.5 -53,-0.2 -0.966 72.7 -24.5-122.1 112.6 -21.7 4.9 -9.1 67 67 A C T 3 S- 0 0 55 -55,-1.7 -1,-0.1 -2,-0.5 -54,-0.1 0.916 128.2 -49.0 55.5 40.7 -25.4 4.6 -10.0 68 68 A G T 3 S+ 0 0 65 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.808 115.3 123.8 67.4 22.9 -25.6 1.4 -8.1 69 69 A H E < - J 0 66B 68 -3,-0.9 -3,-2.8 2,-0.0 2,-0.4 -0.968 55.0-142.5-115.9 120.9 -22.5 0.1 -10.0 70 70 A K E + J 0 65B 171 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.612 30.2 163.4 -82.4 131.2 -19.6 -1.0 -7.8 71 71 A A E - J 0 64B 10 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.4 -0.951 29.2-142.3-140.2 167.1 -16.1 -0.1 -9.1 72 72 A I E + J 0 63B 95 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.984 42.7 110.2-125.6 136.5 -12.5 0.1 -7.9 73 73 A G E - 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