==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-00 1G2K . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.LINDBERG,T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10026.0 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 . 69 34.8 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 . 25 12.6 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 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 3 1 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 93 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 178.6 30.0 39.2 4.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.971 360.0-159.0-117.2 120.5 29.7 36.7 2.0 3 3 A I E -A 197 0A 34 194,-3.4 194,-2.5 -2,-0.5 2,-0.1 -0.880 3.4-152.6-105.8 121.9 28.7 33.2 3.0 4 4 A T - 0 0 63 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.464 13.7-135.0 -83.7 162.4 29.5 30.2 0.7 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.053 73.1 109.3-110.8 27.7 27.3 27.2 0.7 6 6 A W S S+ 0 0 177 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.802 94.0 25.4 -68.0 -27.6 29.9 24.4 0.8 7 7 A Q S S- 0 0 133 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.824 111.3 -73.2-127.6 168.1 28.7 23.9 4.4 8 8 A R - 0 0 113 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.383 49.9-117.1 -61.7 136.7 25.4 24.6 6.2 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.513 48.7 169.7 -80.0 79.1 25.2 28.4 6.7 10 10 A L E +D 23 0B 71 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.731 5.2 174.7 -93.3 137.9 25.2 28.4 10.5 11 11 A V E -D 22 0B 13 11,-2.8 11,-3.0 -2,-0.4 2,-0.4 -0.910 32.3-107.2-137.1 164.2 25.5 31.7 12.4 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.767 35.8-173.5 -94.7 137.9 25.4 32.8 16.0 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.3 -2,-0.4 2,-0.5 -0.922 16.5-143.2-128.7 156.2 22.3 34.7 17.2 14 14 A K E +DE 19 65B 79 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.986 28.1 159.6-122.2 124.6 21.5 36.5 20.4 15 15 A I E > S-D 18 0B 2 3,-2.6 3,-1.8 -2,-0.5 49,-0.1 -0.969 70.2 -0.7-147.3 127.4 18.0 36.4 21.7 16 16 A G T 3 S- 0 0 60 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.835 127.6 -64.0 63.5 30.1 16.8 37.0 25.3 17 17 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.286 114.2 120.2 77.1 -13.0 20.4 37.5 26.2 18 18 A Q E < -D 15 0B 86 -3,-1.8 -3,-2.6 1,-0.0 2,-0.4 -0.611 59.3-135.8 -87.6 144.2 21.0 33.9 25.2 19 19 A L E +D 14 0B 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.787 31.1 167.2 -98.2 141.6 23.4 32.9 22.5 20 20 A K E -D 13 0B 38 -7,-2.3 -7,-3.0 -2,-0.4 2,-0.4 -0.983 35.3-117.4-151.3 159.1 22.4 30.2 20.0 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.846 38.0 179.9 -99.9 133.6 23.4 28.7 16.7 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.4 -0.970 26.5-122.4-138.1 154.1 21.0 29.1 13.9 23 23 A L E -Df 10 84B 6 60,-3.1 62,-3.0 -2,-0.3 2,-0.8 -0.786 21.8-131.6 -95.8 130.6 20.6 28.1 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.746 32.2-174.4 -82.1 115.2 20.1 30.8 7.6 25 25 A D > - 0 0 17 60,-2.5 3,-1.2 -2,-0.8 62,-0.3 -0.869 22.5-178.5-120.9 98.7 17.2 29.4 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.648 85.7 61.2 -68.3 -14.6 16.0 31.3 2.5 27 27 A G T 3 S+ 0 0 13 96,-0.1 2,-0.4 81,-0.1 -1,-0.3 0.684 87.4 86.5 -85.0 -17.6 13.3 28.7 2.0 28 28 A A < - 0 0 20 -3,-1.2 59,-3.2 57,-0.2 60,-0.2 -0.714 59.0-161.9 -88.5 127.1 11.6 29.5 5.3 29 29 A D S S+ 0 0 52 -2,-0.4 59,-1.8 57,-0.2 2,-0.2 0.904 78.1 31.1 -69.1 -42.2 9.0 32.3 5.4 30 30 A D S S- 0 0 51 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.679 84.0-107.0-116.5 170.4 9.3 32.6 9.2 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.809 31.3-173.5 -97.8 132.2 11.8 32.1 11.9 32 32 A V E -gH 76 84B 5 52,-1.8 52,-3.1 -2,-0.4 2,-0.3 -0.985 1.9-174.4-131.4 124.3 11.5 29.0 14.2 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.2 -2,-0.4 47,-0.3 -0.801 32.2 -93.8-116.0 158.1 13.6 28.4 17.3 34 34 A E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.176 68.7 -60.3 -63.5 161.0 13.8 25.5 19.8 35 35 A E S S+ 0 0 109 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.111 77.6 140.2 -44.9 131.8 11.7 25.5 22.9 36 36 A M - 0 0 19 -3,-0.1 2,-0.5 2,-0.0 -3,-0.1 -0.971 52.1 -94.7-167.8 165.0 12.5 28.5 25.1 37 37 A S + 0 0 102 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.794 39.7 173.3 -96.6 129.4 10.9 31.1 27.4 38 38 A L - 0 0 12 -2,-0.5 -2,-0.0 2,-0.1 39,-0.0 -0.995 30.6-113.9-133.8 140.0 10.1 34.5 25.9 39 39 A P S S+ 0 0 109 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.299 72.7 41.6 -71.1 156.2 8.1 37.4 27.5 40 40 A G S S- 0 0 65 19,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.289 93.5 -52.8 100.1 173.6 4.7 38.5 26.3 41 41 A R - 0 0 219 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.530 52.8-161.0 -86.2 156.0 1.6 36.8 25.0 42 42 A W - 0 0 106 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.892 11.4-139.4-134.7 165.1 1.7 34.2 22.3 43 43 A K E -I 58 0B 118 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.976 26.3-116.2-125.9 138.4 -0.6 32.6 19.8 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.445 41.0 169.2 -73.1 148.8 -0.6 28.9 18.8 45 45 A K E -I 56 0B 76 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.978 29.1-131.0-154.3 160.4 0.2 28.1 15.2 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.973 21.4-176.9-120.5 130.0 1.0 25.1 13.0 47 47 A I E -I 54 0B 32 7,-2.2 7,-2.3 -2,-0.4 2,-0.3 -0.987 7.5-166.9-126.9 137.6 4.0 25.1 10.6 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.3 5,-0.3 2,-0.3 -0.812 19.3 140.2-124.2 164.8 4.8 22.3 8.2 49 49 A G E > -I 52 0B 23 3,-2.2 3,-2.2 -2,-0.3 100,-0.1 -0.833 64.7 -13.1-168.1-156.2 7.6 21.1 6.1 50 50 A I T 3 S+ 0 0 24 1,-0.3 101,-1.2 -2,-0.3 102,-0.9 -0.407 132.8 23.4 -60.2 130.2 9.3 17.9 5.1 51 51 A G T 3 S- 0 0 34 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.160 123.1 -84.3 98.9 -20.9 8.0 15.3 7.5 52 52 A G E < -I 49 0B 27 -3,-2.2 -3,-2.2 100,-0.2 99,-0.4 -0.857 62.5 -35.1 125.4-158.9 4.8 17.1 8.4 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.697 37.9-165.2-109.1 159.2 3.6 19.8 10.8 54 54 A I E -I 47 0B 20 -7,-2.3 -7,-2.2 -2,-0.2 2,-0.4 -0.967 26.3-114.5-138.2 152.1 4.5 20.8 14.3 55 55 A K E +I 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.748 39.8 177.3 -89.8 133.7 2.8 23.1 16.8 56 56 A V E -I 45 0B 2 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.860 30.0-120.7-132.4 166.6 4.6 26.3 17.7 57 57 A R E -IJ 44 77B 61 20,-2.7 20,-2.5 -2,-0.3 2,-0.6 -0.952 27.4-141.6-111.0 125.4 4.0 29.4 19.8 58 58 A Q E -IJ 43 76B 39 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.4 -0.777 18.2-176.3 -93.7 120.0 4.1 32.7 17.9 59 59 A Y E - J 0 75B 7 16,-2.8 16,-2.6 -2,-0.6 3,-0.3 -0.939 12.1-150.7-113.4 136.2 5.7 35.8 19.5 60 60 A D E + 0 0 81 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.0 -0.706 68.0 19.1-106.2 158.4 5.7 39.2 17.8 61 61 A Q E S+ 0 0 148 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.873 76.9 165.7 55.4 45.1 8.1 42.1 18.0 62 62 A I E - J 0 73B 19 11,-2.3 11,-1.6 -3,-0.3 2,-0.5 -0.752 34.1-129.1 -93.6 137.0 11.0 40.0 19.3 63 63 A L E + J 0 72B 92 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.730 32.2 175.6 -86.7 126.7 14.5 41.6 19.2 64 64 A I E - J 0 71B 0 7,-3.0 7,-2.9 -2,-0.5 2,-0.6 -0.987 22.6-148.3-134.0 142.0 17.2 39.4 17.7 65 65 A E E -EJ 14 70B 52 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.6 -0.946 14.9-175.3-111.2 120.4 20.9 39.9 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.7 3,-2.1 -2,-0.6 -53,-0.2 -0.946 74.3 -27.5-118.4 110.2 22.2 38.1 13.9 67 67 A C T 3 S- 0 0 59 -55,-1.5 -1,-0.1 -2,-0.6 -54,-0.1 0.852 127.7 -48.3 55.4 35.3 26.0 38.5 13.3 68 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.6 -54,-0.0 -1,-0.3 0.381 114.4 118.9 88.4 -5.7 25.9 41.8 15.0 69 69 A H E < - 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