==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-AUG-08 3ECG . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2 . AUTHOR A.Y.KOVALEVSKY,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.5 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 0 0 1 1 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 2 3 0 0 2 2 1 1 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,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.6 18.1 3.0 -3.5 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.997 360.0-158.3-126.3 129.9 21.6 3.6 -2.0 3 3 A F E -A 197 0A 35 194,-3.2 194,-2.2 -2,-0.4 5,-0.0 -0.939 3.6-163.6-103.9 117.4 22.4 6.2 0.5 4 4 A S - 0 0 51 -2,-0.6 -1,-0.1 192,-0.2 190,-0.1 0.552 27.2-133.0 -84.8 -8.4 26.2 6.8 0.4 5 5 A L S S+ 0 0 1 2,-0.2 186,-0.2 1,-0.1 -1,-0.1 0.427 76.4 115.3 72.9 7.4 26.3 8.7 3.8 6 6 A W S S+ 0 0 183 184,-0.1 2,-0.3 185,-0.1 -1,-0.1 0.824 88.7 28.1 -68.1 -27.8 28.5 11.6 2.5 7 7 A K S S- 0 0 157 180,-0.0 -2,-0.2 1,-0.0 0, 0.0 -0.843 111.3 -78.4-120.9 163.3 25.4 13.6 3.2 8 8 A R - 0 0 115 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.443 45.9-121.3 -61.9 130.9 22.6 13.1 5.8 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.596 51.8 159.3 -77.8 87.6 20.2 10.4 4.6 10 10 A V E +D 23 0B 61 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.928 10.1 168.1-117.8 132.1 17.0 12.5 4.6 11 11 A V E -D 22 0B 21 11,-2.2 11,-2.6 -2,-0.4 2,-0.5 -0.887 38.7 -99.9-134.6 164.6 13.9 11.7 2.6 12 12 A T E -D 21 0B 61 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.789 41.2-178.7 -87.6 127.5 10.3 12.9 2.4 13 13 A A E -DE 20 66B 0 7,-3.3 7,-2.8 -2,-0.5 2,-0.5 -0.837 21.9-138.0-117.2 160.3 7.7 10.6 4.2 14 14 A Y E -DE 19 65B 104 51,-2.3 51,-2.4 -2,-0.3 2,-0.6 -0.993 14.7-166.1-117.7 121.1 4.0 10.9 4.5 15 15 A I E > S-DE 18 64B 0 3,-2.6 3,-2.2 -2,-0.5 49,-0.2 -0.953 81.5 -22.5-110.2 111.7 2.6 10.1 8.0 16 16 A E T 3 S- 0 0 87 47,-2.2 -1,-0.2 -2,-0.6 48,-0.1 0.902 132.2 -50.1 51.8 39.9 -1.1 9.6 7.9 17 17 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 46,-0.2 47,-0.1 0.353 112.9 120.5 86.2 -7.1 -0.9 11.7 4.7 18 18 A Q E < -D 15 0B 86 -3,-2.2 -3,-2.6 1,-0.0 2,-0.3 -0.783 61.7-127.3 -95.5 127.4 1.2 14.5 6.1 19 19 A P E +D 14 0B 89 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.479 35.8 165.4 -74.4 134.6 4.5 15.2 4.5 20 20 A V E -D 13 0B 19 -7,-2.8 -7,-3.3 -2,-0.3 2,-0.4 -0.996 36.9-122.6-143.2 143.9 7.5 15.3 6.8 21 21 A E E -D 12 0B 102 -2,-0.3 62,-0.4 -9,-0.2 2,-0.4 -0.774 38.2-170.0 -84.0 132.2 11.3 15.2 6.1 22 22 A V E -D 11 0B 1 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.5 -0.967 22.3-131.4-131.8 144.2 12.8 12.3 8.1 23 23 A L E -Df 10 84B 5 60,-2.8 62,-2.8 -2,-0.4 2,-0.8 -0.828 21.7-133.2 -90.5 125.5 16.4 11.1 8.8 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.710 35.9-173.8 -83.6 110.3 17.0 7.4 8.2 25 25 A D > - 0 0 12 60,-3.0 3,-1.6 -2,-0.8 62,-0.3 -0.851 33.0-179.8-128.2 102.3 18.8 6.5 11.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.688 88.0 63.3 -70.3 -15.7 20.4 3.2 12.2 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.403 88.7 84.6 -86.9 -0.9 21.4 4.6 15.6 28 28 A A < - 0 0 15 -3,-1.6 59,-2.9 57,-0.2 60,-0.2 -0.913 56.3-167.7-105.1 120.9 17.7 5.0 16.6 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.905 79.7 29.7 -64.9 -39.2 15.8 2.0 18.0 30 30 A D S S- 0 0 61 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.599 83.0-111.0-120.5 168.9 12.5 3.9 17.6 31 31 A S - 0 0 1 43,-0.3 45,-2.7 -2,-0.2 2,-0.4 -0.917 31.6-176.1-113.3 130.2 11.0 6.5 15.3 32 32 A I E +gH 76 84B 10 52,-1.6 52,-3.1 -2,-0.4 2,-0.4 -0.996 2.5 178.8-135.1 127.9 10.3 10.0 16.6 33 33 A V E -g 77 0B 0 43,-2.7 45,-1.4 -2,-0.4 2,-0.2 -0.972 10.5-154.8-135.8 145.9 8.6 12.9 14.9 34 34 A A + 0 0 27 -2,-0.4 45,-0.1 43,-0.2 3,-0.1 -0.708 69.3 37.3-107.8 165.8 7.7 16.4 15.8 35 35 A G S S+ 0 0 89 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.465 92.0 99.6 79.0 1.2 5.0 18.8 14.5 36 36 A I - 0 0 12 -3,-0.2 2,-0.5 42,-0.1 -1,-0.2 -0.949 60.2-146.1-123.9 140.8 2.4 16.2 14.0 37 37 A E + 0 0 125 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.908 17.1 175.3-102.3 123.2 -0.6 15.2 16.2 38 38 A L - 0 0 40 -2,-0.5 3,-0.3 1,-0.3 2,-0.2 0.414 44.3-123.7-111.8 -0.1 -1.6 11.6 16.2 39 39 A G - 0 0 25 1,-0.2 -1,-0.3 20,-0.0 3,-0.0 -0.562 37.8 -39.1 109.8-161.9 -4.2 11.9 18.8 40 40 A N S S+ 0 0 147 -2,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.482 101.6 84.4 -89.1 -10.6 -5.4 10.5 22.2 41 41 A N + 0 0 151 -3,-0.3 19,-0.3 2,-0.0 2,-0.3 -0.725 66.1 111.7-104.6 87.9 -4.6 6.8 21.9 42 42 A Y - 0 0 92 -2,-1.1 17,-0.2 17,-0.1 34,-0.1 -0.878 61.4-123.1-138.6 173.5 -1.0 6.6 22.9 43 43 A S E -I 58 0B 62 15,-1.8 15,-2.7 -2,-0.3 2,-0.3 -0.999 30.9-131.5-120.3 125.4 1.3 5.3 25.6 44 44 A P E +I 57 0B 90 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.550 37.4 158.1 -76.6 138.1 3.7 7.9 27.2 45 45 A K E -I 56 0B 82 11,-2.1 11,-2.9 -2,-0.3 2,-0.4 -0.982 35.2-119.7-154.6 164.7 7.3 7.0 27.5 46 46 A I E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.893 22.2-166.2-110.0 135.4 10.7 8.6 27.9 47 47 A V E -I 54 0B 17 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.915 7.3-149.2-119.5 148.2 13.6 8.3 25.4 48 48 A G E +I 53 0B 49 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.875 27.3 135.0-116.4 152.8 17.2 9.2 25.9 49 49 A G E > -I 52 0B 20 3,-2.7 3,-1.5 -2,-0.3 2,-0.3 -0.802 62.4 -27.9-160.8-157.3 20.0 10.5 23.7 50 50 A I T 3 S+ 0 0 21 1,-0.2 101,-2.3 -2,-0.2 102,-0.6 -0.557 128.8 24.2 -69.2 132.6 22.8 13.0 23.7 51 51 A G T 3 S- 0 0 32 128,-0.5 2,-0.4 -2,-0.3 -1,-0.2 0.118 124.2 -79.4 100.9 -18.7 21.8 16.0 25.8 52 52 A G E < -I 49 0B 21 -3,-1.5 -3,-2.7 100,-0.2 2,-0.3 -0.964 66.8 -34.9 137.6-132.0 19.3 14.0 28.0 53 53 A F E -I 48 0B 156 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.951 34.9-159.3-139.4 155.1 15.8 12.8 27.7 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.3 -0.993 23.7-118.7-134.8 150.9 12.4 13.7 26.2 55 55 A N E -I 46 0B 126 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.650 38.5-176.1 -75.0 140.3 8.8 12.7 26.9 56 56 A T E -IJ 45 78B 4 -11,-2.9 -11,-2.1 -2,-0.3 2,-0.5 -0.902 27.0-133.9-133.0 166.9 7.1 11.0 23.9 57 57 A K E -IJ 44 77B 76 20,-2.4 20,-2.4 -2,-0.3 2,-0.5 -0.986 24.7-146.4-119.8 119.2 3.8 9.7 23.0 58 58 A E E -IJ 43 76B 30 -15,-2.7 -15,-1.8 -2,-0.5 2,-0.4 -0.810 15.4-173.5 -98.0 124.0 3.9 6.2 21.4 59 59 A Y E - J 0 75B 8 16,-2.8 16,-2.2 -2,-0.5 3,-0.3 -0.927 11.1-146.4-115.0 133.5 1.3 5.4 18.7 60 60 A K E S+ 0 0 142 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.704 70.6 16.6-100.7 154.7 0.9 1.9 17.1 61 61 A N E S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.825 75.8 172.2 59.9 44.0 -0.0 1.0 13.6 62 62 A V E - J 0 73B 7 11,-2.7 11,-2.0 -3,-0.3 2,-0.4 -0.644 36.8-115.5 -85.9 134.8 0.5 4.4 12.0 63 63 A E E - J 0 72B 47 -2,-0.3 -47,-2.2 9,-0.2 2,-0.4 -0.593 39.4-179.9 -68.5 121.6 0.3 4.6 8.2 64 64 A I E -EJ 15 71B 0 7,-2.9 7,-2.7 -2,-0.4 2,-0.5 -0.992 14.6-171.5-129.0 129.2 3.7 5.5 6.8 65 65 A E E +EJ 14 70B 81 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.3 -0.980 28.1 139.7-119.4 120.5 4.6 6.0 3.1 66 66 A V E > +EJ 13 69B 4 3,-2.3 3,-1.7 -2,-0.5 -53,-0.1 -0.982 60.3 13.5-157.7 146.4 8.3 6.5 2.3 67 67 A L T 3 S- 0 0 37 -55,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.862 129.0 -61.6 52.4 37.6 10.8 5.3 -0.3 68 68 A N T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.707 116.8 104.3 58.5 30.3 7.8 4.2 -2.5 69 69 A K E < - J 0 66B 93 -3,-1.7 -3,-2.3 2,-0.0 2,-0.4 -0.937 60.2-142.7-131.2 156.1 6.6 1.7 0.0 70 70 A K E + J 0 65B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.981 27.7 166.9-120.7 130.1 3.6 1.8 2.5 71 71 A V E - J 0 64B 22 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.5 -0.929 34.3-129.4-136.1 163.5 4.0 0.3 5.9 72 72 A R E + J 0 63B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.989 46.9 149.4-112.0 120.4 2.2 0.3 9.3 73 73 A A E - J 0 62B 10 -11,-2.0 -11,-2.7 -2,-0.5 2,-0.3 -0.926 48.4 -86.0-150.7 168.7 4.6 1.0 12.2 74 74 A T E - 0 0 39 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.629 41.4-175.8 -81.8 131.8 5.0 2.5 15.6 75 75 A I E - J 0 59B 0 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.4 -0.998 13.1-152.4-131.3 135.6 5.7 6.2 15.8 76 76 A M E -gJ 32 58B 1 -45,-2.7 -43,-2.7 -2,-0.4 2,-0.4 -0.865 9.0-153.1 -97.8 140.6 6.5 8.4 18.8 77 77 A T E +gJ 33 57B 13 -20,-2.4 -20,-2.4 -2,-0.4 2,-0.3 -0.880 36.5 118.7-107.6 150.0 5.7 12.0 18.8 78 78 A G E S- J 0 56B 19 -45,-1.4 2,-2.4 -2,-0.4 -22,-0.1 -0.966 73.2 -62.6 173.7 177.3 7.7 14.5 20.9 79 79 A D + 0 0 139 -24,-0.5 -45,-0.1 -2,-0.3 -23,-0.0 -0.309 66.7 155.7 -83.5 65.4 9.9 17.5 20.8 80 80 A T - 0 0 5 -2,-2.4 -46,-0.1 1,-0.1 -2,-0.1 -0.662 45.0-136.8 -86.7 141.8 12.6 16.0 18.8 81 81 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.731 89.8 25.7 -75.0 -16.4 14.8 18.5 16.9 82 82 A I S S- 0 0 54 -50,-0.0 2,-0.4 68,-0.0 -60,-0.1 -0.987 88.9-110.1-140.7 149.2 14.8 16.4 13.9 83 83 A N - 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