==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-MAR-09 3GI5 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.N.L.NALAM,C.A.SCHIFFER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9708.0 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 . 13 6.6 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 . 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 . 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 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 76 0, 0.0 198,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.3 27.5 22.0 34.5 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.878 360.0-161.8 -96.1 138.2 23.8 22.4 34.3 3 3 A I E -A 197 0A 34 194,-3.1 194,-2.7 -2,-0.4 2,-0.1 -0.985 3.7-154.5-127.8 122.9 22.7 25.5 32.5 4 4 A T - 0 0 67 -2,-0.4 3,-0.3 192,-0.2 192,-0.1 -0.400 16.8-130.5 -88.4 171.2 19.2 27.1 32.7 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.091 77.5 102.3-121.7 22.2 17.8 29.2 29.9 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.710 95.5 36.3 -73.6 -19.7 16.4 32.4 31.6 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.885 109.0 -83.6-122.2 159.3 19.6 33.9 30.3 8 8 A R - 0 0 131 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.422 43.5-120.2 -57.7 130.4 21.5 33.4 27.1 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.410 50.9 165.1 -75.0 68.2 23.8 30.3 27.5 10 10 A L E +D 23 0B 89 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.706 9.3 177.7 -87.2 136.0 27.0 32.2 26.8 11 11 A V E -D 22 0B 10 11,-2.8 11,-2.6 -2,-0.4 2,-0.4 -0.912 32.1-106.7-134.3 160.6 30.2 30.6 27.7 12 12 A T E -D 21 0B 64 -2,-0.3 55,-2.2 9,-0.2 2,-0.3 -0.758 36.2-169.6 -86.6 133.0 33.9 31.3 27.5 13 13 A I E -DE 20 66B 0 7,-3.0 7,-2.1 -2,-0.4 2,-0.5 -0.879 14.4-143.2-118.2 154.5 35.8 29.4 24.8 14 14 A R E +DE 19 65B 109 51,-2.1 51,-2.1 -2,-0.3 2,-0.4 -0.984 27.8 161.4-118.5 122.6 39.6 29.1 24.2 15 15 A I E > S-D 18 0B 0 3,-2.6 3,-2.0 -2,-0.5 49,-0.1 -0.977 71.2 -9.6-143.5 122.8 40.8 28.9 20.6 16 16 A G T 3 S- 0 0 62 47,-0.4 3,-0.1 -2,-0.4 48,-0.1 0.821 127.6 -58.2 60.3 31.5 44.4 29.6 19.5 17 17 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.524 115.0 119.5 74.4 6.0 45.2 31.0 22.9 18 18 A Q E < -D 15 0B 116 -3,-2.0 -3,-2.6 2,-0.0 2,-0.5 -0.850 57.6-141.2-104.9 139.1 42.4 33.5 22.6 19 19 A L E +D 14 0B 126 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.882 29.2 166.6 -97.7 129.0 39.4 33.7 24.9 20 20 A K E -D 13 0B 53 -7,-2.1 -7,-3.0 -2,-0.5 2,-0.4 -0.926 34.8-117.5-133.1 159.9 36.0 34.6 23.3 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.825 36.9 178.9 -96.2 139.1 32.4 34.4 24.4 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.5 -0.991 27.1-119.6-144.3 151.8 30.1 32.1 22.4 23 23 A L E -Df 10 84B 11 60,-2.7 62,-3.3 -2,-0.3 2,-0.7 -0.768 21.0-131.0 -94.6 123.6 26.5 31.0 22.5 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.688 34.9-173.1 -72.1 114.6 25.6 27.3 23.1 25 25 A D > + 0 0 17 60,-2.6 3,-1.9 -2,-0.7 62,-0.3 -0.817 24.6 178.4-127.5 90.3 23.2 27.0 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.747 84.6 61.8 -68.0 -20.8 21.3 23.7 19.9 27 27 A G T 3 S+ 0 0 22 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.378 89.5 86.7 -82.3 2.6 19.4 25.0 16.8 28 28 A A < - 0 0 13 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.926 57.7-165.3-108.2 119.9 22.8 25.3 14.9 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.890 78.5 40.4 -59.4 -42.3 24.2 22.3 13.0 30 30 A D S S- 0 0 53 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.851 82.4-116.5-121.2 147.3 27.5 24.0 12.7 31 31 A T - 0 0 1 43,-0.4 45,-2.2 -2,-0.3 2,-0.4 -0.674 35.7-175.6 -79.1 125.7 29.9 26.1 14.9 32 32 A V E -gH 76 84B 3 52,-1.6 52,-2.9 -2,-0.4 2,-0.3 -0.994 3.7-169.5-131.5 124.1 30.3 29.6 13.3 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.4 -2,-0.4 47,-0.2 -0.843 27.9-103.7-113.2 149.4 32.6 32.2 14.7 34 34 A E - 0 0 91 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.177 67.7 -54.1 -61.3 162.0 33.0 35.9 13.8 35 35 A E S S+ 0 0 116 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.067 78.8 140.4 -45.6 127.9 35.9 37.0 11.7 36 36 A M - 0 0 22 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.958 52.4-100.1-159.6 163.8 39.2 35.9 13.1 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.809 38.1 174.5 -91.5 128.4 42.5 34.6 11.9 38 38 A L - 0 0 20 -2,-0.5 2,-0.0 2,-0.1 -2,-0.0 -0.989 28.1-119.6-127.2 143.6 43.1 30.8 12.2 39 39 A P + 0 0 110 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.322 67.0 38.3 -77.5 163.3 46.2 29.0 10.8 40 40 A G S S- 0 0 64 19,-0.1 2,-0.1 -2,-0.0 -2,-0.1 -0.185 95.4 -34.8 94.8 177.5 46.1 26.3 8.2 41 41 A K - 0 0 95 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.432 55.6-173.6 -75.2 144.9 44.2 25.6 5.0 42 42 A W - 0 0 124 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.927 14.7-139.0-133.4 161.2 40.6 26.5 4.7 43 43 A K E -I 58 0B 45 15,-1.7 15,-3.0 -2,-0.3 2,-0.2 -0.968 24.4-114.4-120.3 136.4 37.8 26.0 2.1 44 44 A P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.489 44.6 170.4 -63.3 138.3 35.2 28.5 1.0 45 45 A K E -I 56 0B 69 11,-2.3 11,-2.9 -2,-0.2 2,-0.4 -0.954 26.1-141.2-143.8 156.9 31.7 27.4 2.0 46 46 A M E -I 55 0B 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.983 20.3-175.1-121.1 141.9 28.3 28.9 2.0 47 47 A I E -I 54 0B 15 7,-2.2 7,-2.6 -2,-0.4 2,-0.2 -0.960 17.1-126.7-133.9 155.2 25.7 28.4 4.7 48 48 A G E +I 53 0B 35 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.484 27.0 166.8 -95.6 163.9 22.1 29.3 5.3 49 49 A G E > -I 52 0B 30 3,-0.9 3,-0.7 -2,-0.2 102,-0.1 -0.906 55.0 -76.6-158.7-175.1 20.4 31.1 8.2 50 50 A I T 3 S+ 0 0 36 -2,-0.3 101,-0.2 1,-0.2 3,-0.1 0.803 129.0 41.7 -64.0 -28.0 17.2 32.8 9.1 51 51 A G T 3 S- 0 0 24 99,-2.7 2,-0.3 1,-0.3 100,-0.3 0.511 124.3 -80.3 -99.6 -6.4 18.1 35.9 7.1 52 52 A G E < -I 49 0B 28 -3,-0.7 -3,-0.9 98,-0.7 -1,-0.3 -0.936 64.4 -39.9 136.6-161.4 19.6 34.2 4.0 53 53 A F E -I 48 0B 151 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.790 46.8-171.5-111.1 145.9 22.9 32.7 3.0 54 54 A I E -I 47 0B 17 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.892 25.1-113.3-131.5 159.9 26.5 33.8 3.7 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.795 39.0 174.3 -91.5 138.1 30.0 33.0 2.7 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.5 -0.894 31.9-119.6-134.9 165.9 32.2 31.4 5.4 57 57 A R E -IJ 44 77B 44 20,-2.4 20,-2.4 -2,-0.3 2,-0.6 -0.953 28.0-143.2-106.9 126.0 35.7 29.9 5.6 58 58 A Q E -IJ 43 76B 43 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.5 -0.825 17.5-176.2 -97.5 116.9 35.8 26.3 6.8 59 59 A Y E - J 0 75B 8 16,-3.0 16,-3.1 -2,-0.6 3,-0.3 -0.941 12.9-151.4-109.7 130.6 38.6 25.2 9.1 60 60 A D E + 0 0 87 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.703 66.2 13.6-103.6 153.0 38.9 21.6 10.0 61 61 A Q E S+ 0 0 162 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.877 76.1 162.7 54.0 50.0 40.3 19.9 13.2 62 62 A I E - J 0 73B 20 11,-2.8 11,-2.1 -3,-0.3 2,-0.3 -0.876 36.7-128.4 -97.0 122.2 40.5 23.1 15.2 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.4 0, 0.0 2,-0.4 -0.571 32.1 174.0 -66.2 129.1 40.9 22.6 19.0 64 64 A I E - J 0 71B 3 7,-2.3 7,-2.5 -2,-0.3 2,-0.6 -0.995 22.4-150.7-133.2 135.0 38.4 24.6 21.1 65 65 A E E -EJ 14 70B 70 -51,-2.1 -51,-2.1 -2,-0.4 2,-0.7 -0.942 16.6-164.2-105.1 117.5 38.0 24.3 24.8 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.3 -2,-0.6 -53,-0.2 -0.905 70.0 -29.8-110.1 108.4 34.4 25.1 25.7 67 67 A C T 3 S- 0 0 55 -55,-2.2 -1,-0.2 -2,-0.7 -54,-0.1 0.885 129.1 -44.7 53.1 40.6 33.8 25.9 29.3 68 68 A G T 3 S+ 0 0 56 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.377 116.2 114.1 88.0 -4.2 36.7 23.6 30.3 69 69 A H E < - 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