==== 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 27-APR-04 1T3R . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR N.M.KING,M.PRABU-JEYABALAN,E.A.NALIVAIKA,P.B.WIGERNICK,M.P.D . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 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 . 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 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 4 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 71 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.8 27.7 22.3 34.5 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.968 360.0-165.3 -97.7 126.0 23.9 22.6 34.5 3 3 A I E -A 197 0A 32 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.966 4.9-153.5-121.3 116.1 23.0 25.8 32.6 4 4 A T - 0 0 68 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.404 14.9-130.3 -79.7 176.0 19.5 27.4 32.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.156 75.6 103.8-125.4 20.3 18.0 29.5 30.1 6 6 A W S S+ 0 0 187 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.777 95.3 33.7 -74.1 -21.1 16.7 32.7 31.6 7 7 A K S S- 0 0 67 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.878 109.4 -81.2-118.5 166.9 19.9 34.3 30.2 8 8 A R - 0 0 130 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.387 45.0-118.0 -62.5 139.1 21.8 33.5 27.0 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.425 50.3 166.8 -83.9 72.6 24.1 30.5 27.5 10 10 A L E +D 23 0B 85 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.711 6.7 173.8 -87.8 133.1 27.3 32.3 26.8 11 11 A V E -D 22 0B 13 11,-2.8 11,-2.5 -2,-0.4 2,-0.4 -0.930 33.1-105.0-135.6 161.2 30.5 30.7 27.7 12 12 A T E -D 21 0B 63 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.772 37.6-174.4 -87.6 133.7 34.2 31.2 27.4 13 13 A I E -DE 20 66B 3 7,-2.8 7,-2.3 -2,-0.4 2,-0.4 -0.852 19.0-141.9-119.3 160.5 36.0 29.2 24.8 14 14 A R E +DE 19 65B 154 51,-1.8 51,-2.4 -2,-0.3 2,-0.3 -0.998 30.8 157.7-120.2 129.0 39.7 28.7 23.8 15 15 A I E > +DE 18 64B 2 3,-2.4 3,-3.0 -2,-0.4 49,-0.1 -0.990 64.5 1.0-153.1 139.5 40.7 28.3 20.0 16 16 A G T 3 S- 0 0 50 47,-0.6 3,-0.1 1,-0.3 48,-0.1 0.753 131.1 -59.3 53.4 21.7 43.9 28.8 17.9 17 17 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.387 117.7 105.5 96.6 -15.3 45.4 29.8 21.2 18 18 A Q E < -D 15 0B 129 -3,-3.0 -3,-2.4 0, 0.0 2,-0.3 -0.777 64.3-123.7-104.3 148.7 42.9 32.7 21.9 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.763 35.6 163.0 -83.9 144.8 39.8 33.2 24.4 20 20 A K E -D 13 0B 53 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.4 -0.978 37.0-114.4-149.3 161.1 36.3 34.2 23.1 21 21 A E E +D 12 0B 102 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.779 38.3 174.9 -92.9 147.3 32.8 34.3 24.2 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.8 -2,-0.4 2,-0.5 -0.994 29.1-117.1-149.9 156.6 30.3 32.0 22.4 23 23 A L E -Df 10 84B 13 60,-2.8 62,-3.1 -2,-0.3 2,-0.6 -0.768 22.5-129.8 -97.4 124.3 26.7 30.9 22.6 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.650 35.4-173.9 -72.7 116.2 25.8 27.3 23.2 25 25 A D > + 0 0 17 60,-2.7 3,-1.9 -2,-0.6 62,-0.3 -0.834 25.2 179.4-129.3 92.4 23.3 26.8 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.716 85.1 62.5 -69.5 -16.7 21.4 23.6 20.2 27 27 A G T 3 S+ 0 0 20 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.398 88.7 85.7 -83.8 1.3 19.6 24.8 17.1 28 28 A A < - 0 0 13 -3,-1.9 59,-3.0 57,-0.2 60,-0.2 -0.909 56.5-167.1-103.7 124.8 22.9 25.0 15.2 29 29 A D S S+ 0 0 48 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.846 78.8 42.0 -66.2 -37.9 24.2 21.9 13.4 30 30 A D S S- 0 0 60 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.808 83.0-115.9-117.2 154.0 27.5 23.7 13.0 31 31 A T - 0 0 2 43,-0.5 45,-2.4 -2,-0.3 2,-0.4 -0.770 34.8-175.0 -88.6 125.1 29.9 25.9 15.0 32 32 A V E -gH 76 84B 2 52,-1.7 52,-2.8 -2,-0.4 2,-0.3 -0.990 2.3-172.1-131.3 120.8 30.3 29.3 13.4 33 33 A L E -g 77 0B 2 43,-3.0 45,-2.4 -2,-0.4 47,-0.2 -0.851 27.6-105.9-113.1 148.8 32.7 32.0 14.6 34 34 A E - 0 0 92 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.177 67.5 -52.7 -61.0 160.1 33.1 35.6 13.6 35 35 A E S S+ 0 0 116 43,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.073 79.0 137.4 -43.5 126.6 36.0 36.6 11.5 36 36 A M - 0 0 22 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.949 52.6-100.9-162.5 160.3 39.3 35.5 13.0 37 37 A N + 0 0 147 -2,-0.3 0, 0.0 -21,-0.0 0, 0.0 -0.819 37.5 177.3 -90.0 135.7 42.6 34.0 11.7 38 38 A L - 0 0 17 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.996 28.7-109.7-130.3 149.4 43.1 30.2 12.2 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.337 69.4 21.3 -72.9 153.3 46.1 28.2 11.1 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.0 2,-0.1 -0.367 95.3 -21.8 95.1-175.4 46.1 25.6 8.3 41 41 A K - 0 0 94 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.348 54.7-177.1 -70.9 145.6 44.1 24.7 5.3 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.961 14.3-142.9-137.5 161.0 40.5 25.8 4.9 43 43 A K E -I 58 0B 37 15,-1.9 15,-2.8 -2,-0.3 2,-0.2 -0.978 24.7-112.4-119.4 144.0 37.8 25.3 2.3 44 44 A P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.501 46.9 164.2 -68.4 134.2 35.2 27.7 1.0 45 45 A K E -I 56 0B 108 11,-2.4 11,-2.7 -2,-0.2 2,-0.4 -0.927 28.6-136.4-141.8 167.3 31.7 26.6 2.0 46 46 A M E -I 55 0B 130 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.972 19.4-177.0-126.8 146.8 28.2 28.1 2.2 47 47 A I E -I 54 0B 27 7,-2.1 7,-2.6 -2,-0.4 2,-0.4 -0.985 15.0-137.5-143.4 147.0 25.7 27.8 5.0 48 48 A G E +I 53 0B 38 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.893 21.8 169.3-109.3 145.0 22.1 28.9 5.6 49 49 A G E > -I 52 0B 25 3,-2.7 3,-1.0 -2,-0.4 102,-0.1 -0.394 58.6 -63.6-130.4-162.1 20.5 30.4 8.7 50 50 A I T 3 S+ 0 0 34 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.790 132.6 41.6 -62.0 -30.2 17.2 32.1 9.4 51 51 A G T 3 S- 0 0 24 99,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.373 121.2 -84.9-103.5 3.6 18.0 35.0 7.1 52 52 A G E < -I 49 0B 26 -3,-1.0 -3,-2.7 98,-0.6 -1,-0.3 -0.868 64.3 -31.1 125.1-160.5 19.6 33.3 4.1 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.724 44.1-174.9-106.7 147.1 23.0 32.0 3.1 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.4 -0.899 27.1-113.9-131.6 160.5 26.5 33.2 3.8 55 55 A K E +I 46 0B 166 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.789 39.1 175.7 -91.0 135.0 30.0 32.3 2.7 56 56 A V E -I 45 0B 7 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.5 -0.923 32.8-119.3-131.0 164.1 32.3 30.8 5.4 57 57 A R E -IJ 44 77B 42 20,-2.4 20,-2.4 -2,-0.3 2,-0.6 -0.932 30.0-145.2-102.3 124.8 35.7 29.3 5.6 58 58 A Q E -IJ 43 76B 41 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.5 -0.853 15.9-174.4 -98.3 116.0 35.7 25.7 6.9 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.8 -2,-0.6 3,-0.4 -0.954 13.8-150.6-106.5 131.1 38.5 24.6 9.1 60 60 A D E + 0 0 88 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.586 64.4 11.5-101.6 155.5 38.5 21.0 10.0 61 61 A Q E S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.889 79.3 164.9 54.2 44.8 39.8 19.1 13.0 62 62 A I E - J 0 73B 20 11,-2.7 11,-2.0 -3,-0.4 -1,-0.2 -0.832 36.7-124.3 -95.0 128.5 40.3 22.2 15.1 63 63 A P E + J 0 72B 84 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.424 33.2 174.9 -70.2 129.7 40.8 22.0 18.9 64 64 A V E -EJ 15 71B 5 7,-2.9 7,-1.9 -49,-0.1 2,-0.5 -0.970 19.7-152.9-137.7 127.1 38.4 24.0 20.9 65 65 A E E -EJ 14 70B 61 -51,-2.4 -51,-1.8 -2,-0.3 2,-0.6 -0.882 13.8-170.1-102.1 122.0 38.1 24.1 24.8 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.5 -53,-0.2 -0.937 71.5 -25.5-119.8 110.7 34.5 25.0 26.0 67 67 A C T 3 S- 0 0 55 -55,-2.1 -1,-0.2 -2,-0.6 -54,-0.1 0.899 128.9 -49.8 51.2 36.9 34.1 25.7 29.7 68 68 A G T 3 S+ 0 0 47 -56,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.432 115.2 118.2 87.5 -4.5 37.1 23.6 30.3 69 69 A H E < - 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