==== 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 04-SEP-07 2R5P . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR R.M.COMAN,A.H.ROBBINS,R.MCKENNA,B.M.DUNN . 396 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 52 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 0 8 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 . 4 6 4 0 0 4 4 4 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 2 0 0 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 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 88 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.9 30.5 -29.1 -16.4 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.963 360.0-159.7-109.5 126.0 27.3 -29.0 -14.4 3 3 A I E -A 197 0A 32 194,-3.1 194,-2.5 -2,-0.5 2,-0.1 -0.933 4.4-147.2-116.3 125.0 27.9 -28.1 -10.8 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.352 12.1-135.9 -80.0 166.1 25.5 -28.8 -7.9 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.111 71.8 109.8-114.6 21.7 25.2 -26.5 -4.9 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.886 94.2 18.8 -62.9 -37.6 25.2 -29.0 -2.0 7 7 A K S S- 0 0 165 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.795 113.7 -64.8-124.2 170.8 28.6 -27.7 -1.2 8 8 A R - 0 0 107 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.300 50.2-120.2 -55.6 132.7 30.5 -24.6 -2.1 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.443 50.1 166.9 -76.8 71.6 31.1 -24.4 -5.8 10 10 A L E +D 23 0B 67 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.626 7.5 174.5 -87.1 145.7 34.9 -24.3 -5.5 11 11 A V E -D 22 0B 21 11,-2.6 11,-2.5 -2,-0.3 2,-0.4 -0.952 34.7-102.6-144.5 162.8 37.2 -24.8 -8.6 12 12 A S E -D 21 0B 89 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.724 41.7-172.5 -86.8 136.9 40.9 -24.7 -9.5 13 13 A I E -DE 20 66B 3 7,-3.2 7,-2.8 -2,-0.4 2,-0.5 -0.941 21.5-139.9-131.1 154.8 41.9 -21.6 -11.4 14 14 A K E +DE 19 65B 96 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.964 39.2 144.7-113.3 124.6 45.0 -20.4 -13.1 15 15 A V E > +DE 18 64B 2 3,-2.9 3,-2.1 -2,-0.5 49,-0.1 -0.958 62.4 11.7-159.4 140.6 45.8 -16.7 -12.6 16 16 A G T 3 S- 0 0 31 47,-0.6 21,-0.2 -2,-0.3 3,-0.1 0.872 127.7 -64.9 57.3 36.5 49.0 -14.7 -12.3 17 17 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.419 119.2 105.8 67.7 -4.1 50.9 -17.8 -13.3 18 18 A Q E < -D 15 0B 82 -3,-2.1 -3,-2.9 0, 0.0 2,-0.4 -0.697 68.9-128.1-107.4 159.3 49.7 -19.4 -10.2 19 19 A I E +D 14 0B 124 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.883 36.9 167.5-104.7 136.8 47.0 -22.1 -9.4 20 20 A K E -D 13 0B 40 -7,-2.8 -7,-3.2 -2,-0.4 2,-0.4 -0.938 36.9-111.5-145.5 165.7 44.4 -21.3 -6.8 21 21 A E E +D 12 0B 125 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.859 42.2 170.7-100.4 134.0 41.1 -22.4 -5.3 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.4 -0.957 30.3-118.3-143.3 162.1 38.2 -20.0 -6.0 23 23 A L E -Df 10 84B 8 60,-2.6 62,-3.0 -2,-0.3 2,-0.9 -0.862 20.3-130.7-106.4 128.8 34.4 -19.9 -5.6 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.689 36.8-175.2 -77.8 109.1 32.0 -19.5 -8.5 25 25 A D > + 0 0 14 60,-2.6 3,-1.4 -2,-0.9 62,-0.3 -0.852 26.1 178.6-121.8 99.2 29.8 -16.7 -7.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.759 87.1 58.2 -66.5 -26.5 26.7 -15.4 -9.0 27 27 A G T 3 S+ 0 0 14 96,-0.1 2,-0.6 81,-0.1 -1,-0.3 0.514 89.7 89.7 -82.1 -3.2 26.0 -12.9 -6.3 28 28 A A < - 0 0 17 -3,-1.4 59,-2.8 57,-0.2 60,-0.2 -0.835 55.7-167.7 -98.7 122.3 29.4 -11.3 -6.8 29 29 A D S S+ 0 0 46 -2,-0.6 59,-1.3 57,-0.2 2,-0.2 0.888 75.0 39.9 -70.7 -37.9 29.7 -8.4 -9.3 30 30 A D S S- 0 0 51 57,-0.1 2,-0.5 56,-0.1 57,-0.1 -0.603 80.0-118.5-112.3 169.7 33.5 -8.5 -9.2 31 31 A T - 0 0 1 43,-0.4 45,-3.1 -2,-0.2 2,-0.4 -0.936 34.9-179.3-108.4 122.3 36.3 -11.0 -9.1 32 32 A V E -gH 76 84B 7 52,-1.5 52,-3.1 -2,-0.5 2,-0.3 -0.989 5.9-174.3-131.8 130.7 38.4 -10.7 -6.0 33 33 A I E -g 77 0B 0 43,-2.7 45,-2.0 -2,-0.4 3,-0.2 -0.888 30.5-103.9-121.9 149.4 41.5 -12.8 -5.0 34 34 A E S S- 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 49,-0.0 -0.108 75.0 -44.7 -60.3 168.0 43.6 -12.8 -1.9 35 35 A E S S+ 0 0 114 43,-0.2 2,-0.3 42,-0.1 -1,-0.2 -0.076 79.2 154.4 -40.5 122.8 47.1 -11.2 -2.0 36 36 A I - 0 0 9 -3,-0.2 2,-0.6 2,-0.0 -20,-0.1 -0.978 47.7-104.4-153.8 148.1 48.7 -12.3 -5.3 37 37 A A + 0 0 78 -2,-0.3 -2,-0.0 -21,-0.2 0, 0.0 -0.687 42.3 176.7 -83.5 116.4 51.4 -10.7 -7.5 38 38 A L - 0 0 18 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.964 23.3-126.5-122.7 139.2 49.9 -9.1 -10.6 39 39 A P + 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.367 66.0 38.5 -79.2 158.4 51.7 -7.2 -13.4 40 40 A G S S- 0 0 65 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.285 95.3 -50.2 95.3 176.4 50.8 -3.7 -14.6 41 41 A R - 0 0 224 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.493 54.7-155.1 -85.6 159.6 49.5 -0.6 -12.9 42 42 A W - 0 0 117 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.912 8.7-141.6-134.9 161.9 46.5 -0.8 -10.5 43 43 A K E -I 58 0B 114 15,-1.7 15,-3.6 -2,-0.3 2,-0.2 -0.934 27.0-113.9-121.9 144.2 43.8 1.5 -9.1 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.506 40.1 173.5 -77.9 148.4 42.5 1.6 -5.6 45 45 A K E -I 56 0B 66 11,-2.2 11,-3.1 -2,-0.2 2,-0.5 -0.995 27.3-137.7-153.6 152.5 38.8 0.5 -5.0 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.947 21.4-173.1-112.0 129.3 36.4 -0.1 -2.2 47 47 A I E -I 54 0B 18 7,-2.1 7,-2.1 -2,-0.5 2,-0.4 -0.971 15.7-134.2-125.2 140.9 34.0 -3.1 -2.5 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.790 22.0 176.8-100.5 133.7 31.2 -3.9 -0.2 49 49 A G E > -I 52 0B 18 3,-3.3 3,-0.7 -2,-0.4 102,-0.1 -0.462 53.5 -84.8-113.1-172.0 30.4 -7.3 1.3 50 50 A I T 3 S+ 0 0 40 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.793 131.6 46.1 -67.9 -24.2 27.7 -8.4 3.8 51 51 A G T 3 S- 0 0 26 99,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.496 125.0 -85.4 -95.5 -3.9 30.1 -7.3 6.6 52 52 A G E < -I 49 0B 25 -3,-0.7 -3,-3.3 98,-0.5 -1,-0.3 -0.844 61.3 -39.1 132.1-170.0 31.1 -4.0 5.1 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.667 41.2-167.4 -97.6 148.9 33.7 -2.6 2.7 54 54 A I E -I 47 0B 21 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.4 -0.917 25.6-116.2-125.7 155.3 37.3 -3.6 2.2 55 55 A K E +I 46 0B 150 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.767 39.9 175.8 -93.9 137.6 40.0 -1.8 0.2 56 56 A V E -I 45 0B 5 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.918 32.6-115.2-139.1 163.9 41.4 -3.5 -2.8 57 57 A R E -IJ 44 77B 55 20,-3.2 20,-3.0 -2,-0.3 2,-0.7 -0.888 29.7-142.8-101.6 127.6 43.8 -3.1 -5.8 58 58 A Q E -IJ 43 76B 30 -15,-3.6 -15,-1.7 -2,-0.5 2,-0.4 -0.813 18.5-177.0 -97.1 116.1 42.2 -3.1 -9.2 59 59 A Y E - J 0 75B 15 16,-2.7 16,-2.6 -2,-0.7 2,-0.3 -0.879 10.4-154.3-107.5 142.1 44.1 -4.8 -12.0 60 60 A D E + 0 0 69 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.739 66.3 27.2-113.6 164.1 42.7 -4.8 -15.6 61 61 A Q E S+ 0 0 145 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.905 78.1 160.3 55.5 46.2 43.2 -7.1 -18.6 62 62 A I E - J 0 73B 12 11,-2.6 11,-2.0 -3,-0.3 2,-0.3 -0.855 31.1-141.9-102.1 133.6 44.0 -10.1 -16.4 63 63 A I E + J 0 72B 102 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.743 20.0 179.4 -96.0 140.2 43.6 -13.6 -17.8 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.1 -2,-0.3 2,-0.4 -0.974 14.4-148.8-135.5 149.5 42.3 -16.5 -15.8 65 65 A E E +EJ 14 70B 71 -51,-2.2 -51,-2.2 -2,-0.3 2,-0.3 -0.974 16.1 174.7-123.7 136.6 41.7 -20.1 -16.7 66 66 A I E > -EJ 13 69B 1 3,-3.1 3,-1.8 -2,-0.4 -53,-0.1 -0.934 69.5 -20.7-144.2 116.4 39.0 -22.4 -15.3 67 67 A C T 3 S- 0 0 74 -55,-0.5 3,-0.1 -2,-0.3 -54,-0.1 0.902 126.8 -48.5 54.8 47.4 38.3 -25.9 -16.5 68 68 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.348 118.4 109.2 78.5 -9.4 40.0 -25.5 -19.8 69 69 A K E < - 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