==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-OCT-06 2NPH . COMPND 2 MOLECULE: PROTEASE RETROPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.V.HOSUR,A.DAS,V.PRASHAR . 207 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 37.2 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 2.9 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 . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 2 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 . 4 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 0 2 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 0 122 0, 0.0 198,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -60.0 -13.5 38.9 30.5 2 2 A Q - 0 0 119 196,-0.2 2,-0.3 93,-0.0 196,-0.2 -0.965 360.0-166.1-166.2 150.4 -14.2 36.8 27.5 3 3 A V E -A 197 0A 41 194,-1.8 194,-2.5 -2,-0.3 2,-0.2 -0.984 11.6-143.3-150.3 135.0 -12.3 34.5 25.1 4 4 A T E -A 196 0A 73 -2,-0.3 3,-0.3 192,-0.2 192,-0.1 -0.486 20.2-127.0 -89.4 170.7 -13.0 32.9 21.7 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.089 73.5 111.6-112.6 23.7 -11.8 29.4 20.7 6 6 A W S S+ 0 0 155 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.735 91.4 25.4 -67.8 -20.5 -10.0 30.0 17.5 7 7 A Q S S- 0 0 153 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.888 111.7 -71.3-133.9 164.0 -6.8 29.2 19.3 8 8 A R - 0 0 71 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.423 50.2-118.3 -59.2 132.3 -6.2 27.1 22.4 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.534 47.9 173.9 -76.1 76.7 -7.5 29.0 25.5 10 10 A L E +D 23 0B 84 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.682 6.4 179.7 -90.8 139.7 -4.2 29.3 27.3 11 11 A V E -D 22 0B 13 11,-2.8 11,-3.0 -2,-0.3 2,-0.5 -0.928 29.7-112.9-136.7 160.4 -3.9 31.3 30.4 12 12 A T E -D 21 0B 78 -2,-0.3 55,-2.8 9,-0.2 2,-0.3 -0.806 35.5-171.8 -92.1 132.2 -1.1 32.2 32.7 13 13 A I E -DE 20 66B 1 7,-3.0 7,-3.0 -2,-0.5 2,-0.5 -0.923 17.1-150.6-123.9 153.6 -1.4 30.8 36.3 14 14 A K E +DE 19 65B 100 51,-1.8 51,-2.4 -2,-0.3 2,-0.3 -0.997 29.9 156.2-121.5 127.6 0.6 31.3 39.4 15 15 A I E > +DE 18 64B 2 3,-2.5 3,-2.4 -2,-0.5 49,-0.1 -0.983 64.2 2.9-153.5 135.6 0.8 28.4 41.8 16 16 A G T 3 S- 0 0 39 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.819 129.9 -60.3 56.3 32.6 3.2 27.4 44.5 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 21,-0.0 -1,-0.3 0.415 115.8 113.3 75.1 1.8 5.1 30.6 43.8 18 18 A Q E < -D 15 0B 61 -3,-2.4 -3,-2.5 19,-0.1 2,-0.5 -0.794 63.0-131.4-110.7 148.8 5.7 29.6 40.1 19 19 A L E +D 14 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.829 35.8 162.7 -98.8 131.9 4.4 30.9 36.9 20 20 A K E -D 13 0B 50 -7,-3.0 -7,-3.0 -2,-0.5 2,-0.4 -0.907 36.0-120.8-141.7 165.1 3.0 28.5 34.4 21 21 A E E -D 12 0B 104 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.921 35.3-180.0-105.5 144.3 0.8 28.4 31.3 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.4 -0.981 27.4-117.7-145.1 155.9 -2.4 26.2 31.4 23 23 A L E -Df 10 84B 1 60,-2.9 62,-3.2 -2,-0.3 2,-0.7 -0.767 21.7-132.6 -94.4 130.2 -5.2 25.3 29.2 24 24 A L E - f 0 85B 2 -15,-2.9 2,-0.6 -2,-0.4 62,-0.2 -0.757 33.5-174.5 -78.8 119.4 -8.8 26.3 30.2 25 25 A D > - 0 0 0 60,-2.8 3,-1.8 -2,-0.7 62,-0.3 -0.877 25.2-177.8-129.2 99.7 -10.6 22.9 29.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.3 -1,-0.1 0.660 87.2 63.0 -68.8 -14.1 -14.4 22.8 30.1 27 27 A G T 3 S+ 0 0 2 177,-0.1 177,-1.4 96,-0.1 2,-0.5 0.480 87.5 87.3 -87.7 -2.1 -14.1 19.1 29.3 28 28 A A B < -L 203 0C 0 -3,-1.8 59,-3.2 175,-0.3 175,-0.3 -0.828 56.4-165.7-101.7 126.4 -12.0 18.4 32.4 29 29 A D S S+ 0 0 15 173,-2.0 59,-1.4 -2,-0.5 2,-0.3 0.907 78.4 35.3 -71.3 -39.1 -13.7 17.8 35.7 30 30 A D S S- 0 0 37 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.772 81.5-112.9-117.6 163.0 -10.5 18.4 37.5 31 31 A T - 0 0 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.747 34.5-178.6 -94.2 128.5 -7.4 20.5 37.4 32 32 A V E -gH 76 84B 0 52,-1.6 52,-2.7 -2,-0.4 2,-0.3 -0.982 5.3-166.7-135.6 123.8 -4.1 18.6 36.6 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.3 -2,-0.4 47,-0.2 -0.861 26.9-107.1-111.6 150.2 -0.6 20.0 36.3 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.063 68.7 -56.2 -60.4 167.0 2.6 18.7 35.0 35 35 A E S S+ 0 0 122 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.203 78.2 146.7 -52.9 130.6 5.1 17.7 37.5 36 36 A M - 0 0 15 -3,-0.2 2,-0.6 2,-0.1 -20,-0.0 -0.972 53.0 -88.7-158.6 168.7 6.0 20.5 39.8 37 37 A S + 0 0 92 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.776 46.9 166.7 -89.7 116.4 7.1 21.4 43.3 38 38 A L - 0 0 12 -2,-0.6 -2,-0.1 2,-0.1 -21,-0.0 -0.985 28.2-133.8-134.8 118.3 4.0 21.9 45.6 39 39 A P + 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.040 62.8 51.6 -63.0 173.5 4.4 22.1 49.4 40 40 A G S S- 0 0 70 19,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.212 88.9 -61.5 91.5 177.8 2.0 20.2 51.7 41 41 A R - 0 0 222 19,-0.1 19,-0.4 -2,-0.1 2,-0.3 -0.576 49.5-164.6 -97.6 166.5 0.9 16.6 52.0 42 42 A W - 0 0 92 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.918 14.9-132.5-144.7 172.5 -1.1 14.7 49.3 43 43 A K E -I 58 0B 120 15,-1.6 15,-2.1 -2,-0.3 13,-0.0 -0.989 32.4-106.8-131.3 136.7 -3.2 11.6 48.7 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.118 46.7 158.5 -57.1 155.6 -2.9 9.1 45.8 45 45 A K E -I 56 0B 67 11,-1.2 11,-2.6 2,-0.0 2,-0.4 -0.969 29.7-137.0-171.9 161.1 -5.5 9.2 43.0 46 46 A M E -I 55 0B 102 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 16.1-173.0-134.4 137.5 -6.0 8.2 39.4 47 47 A I E -I 54 0B 4 7,-1.8 7,-2.0 -2,-0.4 2,-0.2 -0.906 10.2-146.1-126.4 154.7 -7.7 10.1 36.6 48 48 A G E +Ij 53 202B 19 153,-1.4 155,-2.4 -2,-0.3 2,-0.3 -0.682 24.6 143.9-119.6 173.3 -8.7 9.1 33.1 49 49 A G E > -I 52 0B 10 3,-1.9 3,-1.0 -2,-0.2 2,-0.3 -0.904 60.3 -32.6-172.9-161.0 -9.0 10.6 29.6 50 50 A I T 3 S+ 0 0 0 156,-0.4 101,-1.3 153,-0.4 102,-0.7 -0.621 125.4 27.0 -75.0 130.9 -8.5 9.7 26.0 51 51 A G T 3 S- 0 0 25 -2,-0.3 102,-0.5 128,-0.3 2,-0.4 0.193 124.6 -69.5 105.1 -18.8 -5.6 7.2 25.6 52 52 A G E < -I 49 0B 33 -3,-1.0 -3,-1.9 100,-0.2 2,-0.3 -0.987 67.4 -52.0 137.6-144.0 -5.9 5.7 29.1 53 53 A F E -I 48 0B 139 98,-0.5 2,-0.3 -2,-0.4 -5,-0.2 -0.914 33.2-153.7-136.6 161.3 -5.2 6.7 32.6 54 54 A I E -I 47 0B 16 -7,-2.0 -7,-1.8 -2,-0.3 2,-0.4 -0.955 20.8-121.4-133.4 154.8 -2.5 8.3 34.7 55 55 A K E +I 46 0B 86 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.803 38.6 180.0 -94.7 137.4 -1.6 8.2 38.3 56 56 A V E -I 45 0B 2 -11,-2.6 -11,-1.2 -2,-0.4 2,-0.5 -0.902 31.1-116.7-136.4 165.0 -1.5 11.6 40.1 57 57 A R E -IK 44 77B 60 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.868 30.4-141.7-100.0 132.0 -0.9 13.3 43.5 58 58 A Q E -IK 43 76B 40 -15,-2.1 -15,-1.6 -2,-0.5 2,-0.5 -0.855 18.4-175.8-101.0 118.9 -3.9 15.0 44.9 59 59 A Y E - K 0 75B 6 16,-2.9 16,-2.9 -2,-0.6 3,-0.4 -0.940 9.3-158.3-114.1 126.4 -3.4 18.3 46.7 60 60 A D E + 0 0 61 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.560 67.2 20.8-101.5 165.0 -6.3 20.0 48.4 61 61 A Q E S+ 0 0 169 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.890 80.2 164.9 50.0 44.8 -6.9 23.6 49.4 62 62 A I E - K 0 73B 21 11,-2.6 11,-2.2 -3,-0.4 2,-0.4 -0.833 33.3-133.5 -95.7 131.2 -4.2 24.8 46.9 63 63 A L E + K 0 72B 95 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.639 31.2 171.4 -83.2 133.9 -4.2 28.5 46.1 64 64 A I E -EK 15 71B 0 7,-3.0 7,-2.0 -2,-0.4 2,-0.6 -0.995 25.3-147.4-141.1 141.6 -4.0 29.3 42.4 65 65 A E E -EK 14 70B 55 -51,-2.4 -51,-1.8 -2,-0.3 2,-0.6 -0.968 15.0-162.8-110.9 124.1 -4.3 32.6 40.5 66 66 A I E > S-EK 13 69B 0 3,-3.7 3,-2.8 -2,-0.6 -53,-0.2 -0.923 72.3 -34.0-110.7 114.2 -5.8 32.2 37.0 67 67 A C T 3 S- 0 0 69 -55,-2.8 -1,-0.2 -2,-0.6 -54,-0.1 0.879 130.3 -42.0 44.1 43.8 -5.2 35.1 34.7 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.189 116.3 110.4 93.8 -17.8 -5.5 37.3 37.8 69 69 A H E < - K 0 66B 73 -3,-2.8 -3,-3.7 24,-0.0 -1,-0.2 -0.820 61.1-135.6 -97.2 128.7 -8.4 35.6 39.6 70 70 A K E + K 0 65B 130 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.488 28.1 168.8 -81.9 146.8 -7.6 33.7 42.8 71 71 A A E - K 0 64B 3 -7,-2.0 -7,-3.0 -2,-0.2 2,-0.5 -0.982 22.3-149.9-154.8 150.4 -9.1 30.3 43.6 72 72 A I E + K 0 63B 93 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.995 42.4 110.4-125.7 127.4 -8.5 27.7 46.1 73 73 A G E - K 0 62B 13 -11,-2.2 -11,-2.6 -2,-0.5 2,-0.3 -0.969 64.1 -48.1-171.8-171.6 -9.1 24.1 45.3 74 74 A T E - 0 0 44 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.617 45.5-170.2 -81.0 141.6 -7.9 20.7 44.6 75 75 A V E - K 0 59B 0 -16,-2.9 -16,-2.9 -2,-0.3 2,-0.4 -0.990 9.5-149.7-132.1 132.1 -5.0 20.3 42.2 76 76 A L E -gK 32 58B 1 -45,-2.6 -43,-3.3 -2,-0.4 2,-0.4 -0.803 10.2-162.2-101.3 147.4 -3.7 17.1 40.8 77 77 A V E +gK 33 57B 1 -20,-2.3 -20,-2.6 -2,-0.4 -43,-0.2 -0.983 35.3 94.0-132.5 125.4 -0.1 16.7 39.8 78 78 A G S S- 0 0 3 -45,-2.3 2,-2.2 -2,-0.4 -43,-0.3 -0.972 79.1 -30.6-179.1-165.5 1.3 14.0 37.6 79 79 A P S S+ 0 0 88 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.160 71.3 145.8 -71.5 48.7 2.3 12.9 34.1 80 80 A T - 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