==== 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 05-JAN-08 3BVB . COMPND 2 MOLECULE: PROTEASE (RETROPEPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR F.LIU,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10158.0 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 . 13 6.6 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 . 20 10.1 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 2 3 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 90 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.9 29.7 47.3 18.1 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.968 360.0-159.3-102.3 122.1 29.5 49.5 21.2 3 3 A I E -A 197 0A 33 194,-3.3 194,-2.3 -2,-0.5 2,-0.1 -0.920 2.8-149.4-108.1 117.1 28.5 53.0 20.1 4 4 A T - 0 0 69 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.350 13.0-133.6 -80.0 170.7 29.2 55.9 22.4 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.173 73.6 108.6-119.1 22.4 27.0 58.9 22.3 6 6 A W S S+ 0 0 196 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.834 93.4 21.9 -62.8 -32.9 29.5 61.7 22.2 7 7 A K S S- 0 0 166 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.808 111.2 -68.5-127.7 170.4 28.4 62.3 18.6 8 8 A R - 0 0 101 -2,-0.3 2,-1.6 1,-0.1 119,-0.1 -0.412 50.3-119.5 -60.6 134.9 25.2 61.4 16.7 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.613 47.0 173.2 -81.0 86.1 25.0 57.6 16.3 10 10 A L E +D 23 0B 92 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.797 6.6 175.5-100.7 137.8 25.1 57.5 12.5 11 11 A V E -D 22 0B 16 11,-2.7 11,-2.7 -2,-0.4 2,-0.4 -0.881 32.5-107.7-133.9 161.4 25.3 54.3 10.5 12 12 A T E -D 21 0B 62 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.791 37.6-174.0 -88.4 135.0 25.2 53.3 6.8 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.883 19.3-144.0-122.8 158.0 22.1 51.6 5.7 14 14 A K E +DE 19 65B 106 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.998 31.8 157.2-122.0 123.5 21.0 49.9 2.5 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.4 -2,-0.5 49,-0.1 -0.990 65.2 -0.8-147.6 133.6 17.4 50.3 1.5 16 16 A G T 3 S- 0 0 46 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.773 129.8 -58.3 59.7 25.3 15.7 50.0 -1.8 17 17 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.381 116.7 111.5 86.8 -2.5 19.0 49.4 -3.4 18 18 A Q E < -D 15 0B 84 -3,-2.4 -3,-2.4 2,-0.0 2,-0.4 -0.844 64.3-132.8-113.1 137.1 20.4 52.7 -2.1 19 19 A L E +D 14 0B 124 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.752 35.2 167.5 -85.9 136.6 23.0 53.5 0.5 20 20 A K E -D 13 0B 28 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.948 34.9-121.1-140.0 155.4 22.0 56.1 3.0 21 21 A E E -D 12 0B 106 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.862 37.7-179.5 -96.2 141.6 23.3 57.4 6.3 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.4 -0.978 27.1-119.0-143.9 154.9 20.8 57.2 9.2 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.0 -2,-0.3 2,-0.6 -0.785 24.1-129.0 -93.4 129.2 20.5 58.0 12.9 24 24 A L E - f 0 85B 1 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.723 35.1-171.1 -78.0 116.3 20.0 55.2 15.4 25 25 A N > + 0 0 12 60,-2.8 3,-1.3 -2,-0.6 62,-0.3 -0.856 29.2 176.6-127.3 96.6 17.0 56.6 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.642 84.6 65.5 -70.2 -12.1 15.7 55.0 20.5 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.406 89.7 78.6 -87.9 0.5 13.3 57.8 20.8 28 28 A A < - 0 0 17 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.941 58.6-162.1-115.2 130.4 11.4 56.8 17.6 29 29 A D S S+ 0 0 64 -2,-0.4 59,-2.1 57,-0.2 2,-0.3 0.933 80.3 36.0 -70.8 -47.8 8.9 54.0 17.4 30 30 A D S S- 0 0 45 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.686 85.3-110.1-112.5 154.6 9.0 53.8 13.6 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.7 -2,-0.3 2,-0.4 -0.723 32.8-166.8 -81.2 132.4 11.8 54.2 11.0 32 32 A V E -gH 76 84B 8 52,-2.1 52,-3.1 -2,-0.4 2,-0.3 -0.993 4.3-172.9-132.6 123.4 11.4 57.3 8.8 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.3 -2,-0.4 47,-0.2 -0.900 29.7-102.7-118.1 145.4 13.4 57.8 5.6 34 34 A E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.117 68.7 -56.2 -56.4 160.9 13.7 60.9 3.3 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.115 79.8 133.7 -52.0 130.4 11.7 60.8 0.1 36 36 A M - 0 0 14 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.933 55.1 -95.3-164.6 163.1 12.5 57.8 -2.0 37 37 A S - 0 0 104 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.769 37.6-179.5 -87.5 137.7 10.7 55.1 -4.0 38 38 A L - 0 0 17 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.960 28.6-107.1-130.6 150.8 9.9 51.8 -2.4 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.420 71.6 17.8 -74.9 154.4 8.1 48.8 -4.0 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.229 95.0 -23.3 90.5-168.7 4.6 47.7 -3.1 41 41 A R + 0 0 238 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.374 54.0 178.7 -79.7 158.0 1.6 49.1 -1.4 42 42 A W E -I 59 0B 130 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.950 14.0-153.4-148.2 166.9 1.6 51.9 1.0 43 43 A K E -I 58 0B 109 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.991 30.6 -99.3-142.1 153.6 -0.9 53.9 3.1 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.381 40.4 173.6 -76.4 151.3 -0.7 57.4 4.4 45 45 A K E -I 56 0B 71 11,-2.1 11,-2.9 -2,-0.1 2,-0.4 -0.977 24.5-138.2-148.1 152.3 0.2 58.2 8.0 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 21.0-175.5-114.4 134.5 0.8 61.3 10.1 47 47 A I E -I 54 0B 29 7,-2.3 7,-2.7 -2,-0.4 2,-0.4 -0.969 5.8-164.2-127.7 147.9 3.7 61.3 12.6 48 48 A G E +I 53 0B 39 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.957 21.3 137.9-142.8 147.2 4.6 64.0 15.0 49 49 A G E > -I 52 0B 21 3,-2.4 3,-2.4 -2,-0.4 2,-0.2 -0.646 65.5 -10.7-153.9-150.4 7.3 65.2 17.2 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-2.0 -2,-0.2 102,-0.6 -0.443 133.9 21.8 -65.0 132.2 9.0 68.4 18.1 51 51 A G T 3 S- 0 0 30 128,-0.4 -1,-0.3 100,-0.2 2,-0.2 0.399 122.6 -87.5 84.2 3.1 7.6 71.0 15.8 52 52 A G E < -I 49 0B 28 -3,-2.4 -3,-2.4 100,-0.1 2,-0.3 -0.698 63.7 -27.0 109.0-158.9 4.5 69.1 14.9 53 53 A F E -I 48 0B 150 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.716 37.2-165.1-107.5 152.7 3.4 66.5 12.4 54 54 A I E -I 47 0B 21 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -0.950 24.9-119.8-126.7 152.4 4.4 65.4 8.9 55 55 A K E +I 46 0B 131 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.805 38.5 175.3 -90.6 132.1 2.6 63.2 6.4 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.842 32.6-115.7-129.9 165.0 4.4 60.0 5.4 57 57 A R E -IJ 44 77B 49 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.934 28.3-143.1-100.0 129.0 3.9 57.0 3.3 58 58 A Q E -IJ 43 76B 28 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.4 -0.864 18.3-176.4 -98.4 115.2 3.8 53.7 5.3 59 59 A Y E -IJ 42 75B 10 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.950 11.9-151.1-107.0 131.7 5.4 50.7 3.5 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.618 67.5 20.6-100.8 158.1 5.3 47.3 5.2 61 61 A Q E S+ 0 0 164 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.919 76.8 161.4 57.3 50.5 7.7 44.4 5.0 62 62 A I E - J 0 73B 15 11,-2.7 11,-1.9 -3,-0.3 2,-0.4 -0.873 33.5-135.7-102.1 133.3 10.7 46.4 3.7 63 63 A I E + J 0 72B 108 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.735 25.8 178.2 -90.2 135.0 14.1 44.9 4.1 64 64 A I E -EJ 15 71B 0 7,-2.8 7,-2.7 -2,-0.4 2,-0.5 -0.975 24.6-142.8-132.9 145.7 16.9 47.1 5.3 65 65 A E E -EJ 14 70B 65 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.6 -0.975 21.1-166.2-105.9 120.1 20.6 46.4 5.9 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-2.6 -2,-0.5 -53,-0.2 -0.974 69.8 -33.8-119.4 111.3 21.7 48.4 9.0 67 67 A A T 3 S- 0 0 42 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.841 129.9 -42.0 42.7 44.2 25.4 48.6 9.6 68 68 A G T 3 S+ 0 0 53 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.367 117.3 109.4 93.7 -9.8 25.6 45.1 8.1 69 69 A H E < - J 0 66B 75 -3,-2.6 -3,-3.0 2,-0.0 2,-0.3 -0.908 60.5-136.8-110.7 127.9 22.6 43.5 9.8 70 70 A K E + J 0 65B 160 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.555 29.9 164.5 -87.8 139.4 19.5 42.6 7.8 71 71 A A E - J 0 64B 9 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.4 -0.971 22.6-146.1-145.2 159.6 16.1 43.4 9.2 72 72 A I E + J 0 63B 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.984 40.1 100.2-129.9 144.7 12.6 43.6 7.9 73 73 A G E - 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