==== 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 2R3W . 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) . 9665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 71 35.9 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 . 23 11.6 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 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 4 1 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 87 0, 0.0 198,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 147.6 -29.4 -4.0 18.4 2 2 A Q E -A 198 0A 137 196,-0.2 2,-0.6 197,-0.1 196,-0.3 -0.941 360.0-154.9-103.5 117.9 -29.1 -6.3 21.5 3 3 A I E -A 197 0A 34 194,-4.4 194,-2.6 -2,-0.6 2,-0.0 -0.850 3.9-139.5-108.6 126.1 -28.2 -9.8 20.2 4 4 A T - 0 0 58 -2,-0.6 192,-0.1 192,-0.2 3,-0.1 -0.264 4.0-148.0 -69.6 155.3 -29.1 -12.9 22.2 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.241 73.3 103.4-114.4 13.5 -26.7 -15.9 22.5 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.863 98.5 21.2 -54.2 -34.5 -29.4 -18.6 22.7 7 7 A Q S S- 0 0 124 -3,-0.1 -1,-0.0 180,-0.0 0, 0.0 -0.869 111.7 -72.0-127.8 166.2 -28.2 -19.1 19.1 8 8 A R - 0 0 112 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.386 50.3-120.8 -56.0 134.0 -25.1 -18.3 17.1 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.653 44.5 177.4 -82.9 85.5 -25.1 -14.5 16.6 10 10 A L E +D 23 0B 75 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.720 4.2 177.1 -92.4 136.8 -25.1 -14.6 12.8 11 11 A V E -D 22 0B 19 11,-3.0 11,-2.7 -2,-0.4 2,-0.4 -0.931 28.9-114.8-135.8 161.2 -25.2 -11.4 10.7 12 12 A T E -D 21 0B 86 -2,-0.3 55,-1.0 9,-0.2 2,-0.3 -0.756 33.6-172.9 -96.6 140.4 -25.1 -10.5 7.1 13 13 A I E -DE 20 66B 3 7,-3.3 7,-2.7 -2,-0.4 2,-0.4 -0.925 18.8-140.7-129.8 160.3 -22.2 -8.5 5.8 14 14 A K E +DE 19 65B 22 51,-2.3 51,-2.2 -2,-0.3 2,-0.3 -0.995 32.1 155.9-122.2 128.8 -21.2 -6.8 2.6 15 15 A I E > +D 18 0B 3 3,-2.5 3,-2.2 -2,-0.4 49,-0.1 -0.954 65.3 0.8-155.2 129.6 -17.6 -7.0 1.4 16 16 A G T 3 S- 0 0 50 47,-0.5 21,-0.1 -2,-0.3 3,-0.1 0.877 130.4 -58.3 57.2 39.9 -16.0 -6.7 -2.0 17 17 A G T 3 S+ 0 0 88 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.500 117.1 120.2 70.1 4.5 -19.5 -6.1 -3.4 18 18 A Q E < -D 15 0B 78 -3,-2.2 -3,-2.5 2,-0.0 2,-0.5 -0.791 60.4-138.0-107.1 143.2 -20.4 -9.5 -1.9 19 19 A L E +D 14 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.860 33.8 169.2 -93.0 125.2 -23.1 -10.4 0.6 20 20 A K E -D 13 0B 22 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.951 32.4-125.3-133.8 156.7 -21.8 -13.0 3.2 21 21 A E E +D 12 0B 116 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.794 36.2 172.8 -97.2 141.3 -23.0 -14.5 6.4 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.4 -0.992 30.5-117.3-152.1 155.9 -20.7 -14.3 9.4 23 23 A L E -Df 10 84B 5 60,-2.6 62,-2.8 -2,-0.3 2,-0.8 -0.798 24.7-127.4 -97.2 128.3 -20.5 -15.0 13.1 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.681 38.1-174.2 -78.0 112.1 -19.9 -12.1 15.6 25 25 A D > - 0 0 19 60,-2.9 3,-1.2 -2,-0.8 62,-0.3 -0.845 28.5-179.8-122.8 99.2 -17.1 -13.6 17.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.651 87.8 59.9 -67.6 -16.6 -15.5 -12.0 20.6 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.658 88.2 85.6 -85.7 -16.5 -13.0 -14.8 20.9 28 28 A A < - 0 0 19 -3,-1.2 59,-2.5 57,-0.2 60,-0.2 -0.746 60.3-164.0 -85.1 119.5 -11.6 -14.1 17.4 29 29 A D S S+ 0 0 50 -2,-0.6 59,-1.3 57,-0.2 2,-0.3 0.860 77.4 35.8 -68.1 -31.6 -8.9 -11.4 17.5 30 30 A D S S- 0 0 45 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.847 86.5-108.4-123.1 154.8 -9.2 -11.0 13.8 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.7 -2,-0.3 2,-0.4 -0.691 39.2-173.0 -78.7 130.2 -11.9 -11.2 11.1 32 32 A V E +gH 76 84B 7 52,-1.9 52,-3.0 -2,-0.4 2,-0.3 -0.985 5.9 178.3-133.5 126.3 -11.6 -14.3 9.0 33 33 A L E -g 77 0B 0 43,-2.7 45,-2.0 -2,-0.4 47,-0.2 -0.904 32.6 -98.1-126.8 153.8 -13.6 -15.3 5.9 34 34 A E S S- 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 0, 0.0 -0.055 71.7 -50.7 -58.5 166.1 -13.6 -18.1 3.4 35 35 A E S S+ 0 0 108 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.114 78.2 138.4 -52.4 131.3 -11.8 -17.8 0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.961 52.0-100.6-162.3 161.7 -12.6 -14.7 -1.8 37 37 A S - 0 0 97 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.717 36.9-179.7 -89.7 139.7 -10.9 -12.0 -3.9 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.985 27.1-111.1-135.3 151.8 -10.1 -8.6 -2.2 39 39 A P S S+ 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.456 71.2 24.6 -80.1 154.5 -8.4 -5.6 -3.7 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.341 95.4 -31.0 100.5-173.5 -4.9 -4.4 -2.8 41 41 A R - 0 0 90 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.386 55.2-177.2 -80.0 160.3 -1.8 -5.8 -1.3 42 42 A W E -I 59 0B 128 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.966 13.3-152.2-148.9 163.1 -1.8 -8.7 1.2 43 43 A K E -I 58 0B 113 15,-1.2 15,-3.4 -2,-0.3 2,-0.1 -0.965 29.5-100.6-135.1 155.7 0.7 -10.7 3.2 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.448 41.0 172.3 -77.9 150.4 0.6 -14.3 4.5 45 45 A K E -I 56 0B 69 11,-2.4 11,-2.8 -2,-0.1 2,-0.4 -0.977 24.7-135.9-148.5 154.9 -0.3 -15.1 8.1 46 46 A M E -I 55 0B 109 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 20.5-176.9-117.6 132.2 -1.0 -18.2 10.2 47 47 A I E -I 54 0B 21 7,-2.6 7,-3.2 -2,-0.4 2,-0.3 -0.956 7.4-175.1-127.8 146.9 -3.9 -18.4 12.6 48 48 A G E +I 53 0B 38 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.895 18.6 140.7-141.8 164.3 -4.8 -21.3 14.9 49 49 A G E > -I 52 0B 25 3,-2.0 3,-2.4 -2,-0.3 100,-0.1 -0.834 67.2 -8.5-170.0-154.3 -7.2 -22.8 17.4 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-1.7 -2,-0.2 102,-0.6 -0.384 132.9 24.3 -58.4 133.7 -8.6 -26.2 18.2 51 51 A G T 3 S- 0 0 40 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.148 122.8 -90.5 96.4 -20.8 -7.5 -28.6 15.5 52 52 A G E < -I 49 0B 25 -3,-2.4 -3,-2.0 100,-0.1 99,-0.4 -0.812 59.0 -30.7 120.5-161.6 -4.5 -26.5 14.6 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.717 37.0-162.9-106.0 150.7 -3.4 -23.7 12.3 54 54 A I E -I 47 0B 20 -7,-3.2 -7,-2.6 -2,-0.3 2,-0.4 -0.952 22.8-120.5-127.0 154.1 -4.4 -22.5 8.8 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.778 37.3 174.6 -89.2 134.6 -2.7 -20.2 6.4 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.5 -0.898 32.2-115.8-134.4 164.1 -4.5 -17.0 5.4 57 57 A R E -IJ 44 77B 50 20,-2.8 20,-2.3 -2,-0.3 2,-0.7 -0.902 27.6-142.6-100.0 126.1 -3.9 -13.9 3.4 58 58 A Q E -IJ 43 76B 28 -15,-3.4 -15,-1.2 -2,-0.5 2,-0.5 -0.768 18.0-176.2 -95.6 115.7 -4.0 -10.7 5.4 59 59 A Y E -IJ 42 75B 14 16,-2.6 16,-2.7 -2,-0.7 3,-0.3 -0.917 12.7-151.8-107.9 129.6 -5.7 -7.7 3.6 60 60 A D E + 0 0 61 -19,-0.6 14,-0.2 -2,-0.5 -19,-0.1 -0.669 64.9 18.3-104.5 163.7 -5.6 -4.3 5.4 61 61 A Q E S+ 0 0 175 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.914 76.4 164.5 49.7 54.5 -7.9 -1.3 5.3 62 62 A I E - J 0 73B 15 11,-3.6 11,-2.3 -3,-0.3 2,-0.4 -0.823 34.8-128.6 -99.4 137.3 -10.9 -3.2 3.8 63 63 A L E + J 0 72B 77 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.693 32.3 175.2 -84.7 133.4 -14.3 -1.6 4.0 64 64 A I E - J 0 71B 4 7,-3.1 7,-3.7 -2,-0.4 2,-0.5 -0.990 23.9-146.4-135.2 144.0 -17.1 -3.7 5.4 65 65 A E E +EJ 14 70B 105 -51,-2.2 -51,-2.3 -2,-0.3 2,-0.4 -0.984 19.9 177.2-110.8 128.2 -20.7 -3.1 6.1 66 66 A I E > S-EJ 13 69B 0 3,-2.3 3,-2.0 -2,-0.5 -53,-0.2 -0.996 71.7 -22.6-131.9 111.9 -22.1 -5.0 9.2 67 67 A C T 3 S- 0 0 56 -55,-1.0 3,-0.1 -2,-0.4 -1,-0.1 0.894 127.9 -47.2 49.3 50.9 -25.7 -4.3 10.2 68 68 A G T 3 S+ 0 0 71 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.548 114.2 122.7 73.3 0.5 -25.9 -0.9 8.5 69 69 A H E < - J 0 66B 63 -3,-2.0 -3,-2.3 2,-0.0 2,-0.6 -0.866 54.4-148.0-100.3 128.3 -22.5 -0.0 10.1 70 70 A K E + J 0 65B 181 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.781 28.9 169.7 -87.9 124.1 -19.7 1.0 7.8 71 71 A A E - J 0 64B 12 -7,-3.7 -7,-3.1 -2,-0.6 2,-0.4 -0.955 27.3-141.3-136.8 160.7 -16.4 -0.1 9.1 72 72 A I E + J 0 63B 60 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.958 40.7 115.0-118.2 134.5 -12.7 -0.3 8.0 73 73 A G E - 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