==== 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 22-DEC-05 2FGV . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.E.FOULKES,M PRABU-JEYABALAN,D.COOPER,C.A.SCHIFFER . 200 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.0 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 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 1 3 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 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 80 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 174.3 13.6 15.0 0.9 2 2 A Q E -A 198 0A 119 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.961 360.0-161.8-107.0 128.3 17.2 14.8 2.1 3 3 A I E -A 197 0A 37 194,-3.1 194,-2.6 -2,-0.5 2,-0.1 -0.952 7.5-152.7-112.7 117.2 17.5 13.9 5.8 4 4 A T - 0 0 62 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.323 14.2-131.6 -82.7 174.2 20.9 14.7 7.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.145 74.2 108.6-118.8 17.7 22.3 12.7 10.3 6 6 A W S S+ 0 0 190 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.834 95.3 20.1 -59.5 -37.1 23.4 15.5 12.7 7 7 A K S S- 0 0 65 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.818 114.7 -68.8-121.0 170.3 20.4 14.5 14.8 8 8 A R - 0 0 131 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.378 53.6-115.6 -57.8 131.7 18.5 11.2 14.9 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.5 -0.433 51.6 167.4 -74.5 72.3 16.5 10.9 11.7 10 10 A L E +D 23 0B 62 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.767 4.4 167.7 -90.6 128.6 13.1 11.1 13.3 11 11 A V E -D 22 0B 15 11,-2.8 11,-2.9 -2,-0.5 2,-0.4 -0.838 37.7 -93.6-134.7 170.3 10.2 11.6 10.9 12 12 A T E -D 21 0B 77 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.715 39.6-176.4 -89.5 135.2 6.4 11.4 11.1 13 13 A I E -DE 20 66B 2 7,-2.9 7,-2.3 -2,-0.4 2,-0.5 -0.874 18.6-138.0-122.2 160.2 4.7 8.2 10.0 14 14 A R E +DE 19 65B 98 51,-2.3 51,-2.4 -2,-0.3 2,-0.4 -0.990 27.7 163.2-119.9 125.2 1.0 7.3 9.7 15 15 A I E > S+DE 18 64B 2 3,-2.4 3,-1.8 -2,-0.5 49,-0.1 -0.994 74.7 1.8-140.9 132.6 -0.2 3.9 10.9 16 16 A G T 3 S- 0 0 68 47,-0.5 3,-0.1 -2,-0.4 48,-0.1 0.763 129.6 -65.0 57.5 26.7 -3.8 3.1 11.5 17 17 A G T 3 S+ 0 0 58 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.405 115.1 111.4 78.9 -2.0 -4.6 6.6 10.4 18 18 A Q E < -D 15 0B 129 -3,-1.8 -3,-2.4 1,-0.0 2,-0.4 -0.761 67.2-118.3-108.5 152.3 -2.7 8.1 13.4 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.704 34.5 167.5 -95.2 137.5 0.6 10.0 13.4 20 20 A K E -D 13 0B 50 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.4 -0.925 34.8-114.2-137.6 162.0 3.7 8.8 15.2 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.6 -9,-0.2 2,-0.3 -0.852 39.7 177.9 -97.5 136.1 7.4 9.7 15.3 22 22 A A E -Df 11 83B 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.989 29.1-119.1-145.4 153.1 9.8 7.1 13.9 23 23 A L E -Df 10 84B 11 60,-3.1 62,-3.1 -2,-0.3 2,-0.6 -0.751 22.2-133.6 -94.1 122.3 13.5 6.6 13.3 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.692 34.7-172.9 -75.2 117.3 14.6 6.0 9.7 25 25 A D > + 0 0 3 60,-2.8 3,-1.7 -2,-0.6 62,-0.3 -0.844 27.5 177.4-130.3 91.3 17.0 3.1 10.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.715 85.4 60.6 -69.1 -18.6 19.2 1.6 7.7 27 27 A G T 3 S+ 0 0 1 175,-0.4 175,-1.1 81,-0.1 2,-0.6 0.402 88.2 88.9 -87.3 3.3 20.7 -0.8 10.2 28 28 A A < - 0 0 0 -3,-1.7 59,-2.8 173,-0.3 60,-0.2 -0.901 55.5-166.6-104.5 123.7 17.4 -2.5 10.9 29 29 A D S S+ 0 0 41 -2,-0.6 59,-1.0 57,-0.2 2,-0.2 0.857 78.5 38.9 -64.5 -36.9 16.2 -5.4 8.8 30 30 A D S S- 0 0 41 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.635 83.7-113.3-116.5 165.1 12.7 -5.0 10.3 31 31 A T - 0 0 1 43,-0.4 45,-2.6 -2,-0.2 2,-0.5 -0.918 35.5-172.0-101.8 122.7 10.3 -2.3 11.3 32 32 A V E -gH 76 84B 0 52,-1.6 52,-2.9 -2,-0.6 2,-0.3 -0.972 1.5-165.2-126.5 119.8 9.8 -2.4 15.0 33 33 A L E -g 77 0B 1 43,-3.7 45,-2.7 -2,-0.5 47,-0.3 -0.697 26.2-102.7-105.7 152.9 7.1 -0.2 16.7 34 34 A E E -g 78 0B 68 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.260 69.3 -60.6 -58.4 157.6 6.5 0.8 20.3 35 35 A E S S+ 0 0 109 43,-0.5 2,-0.3 45,-0.3 -1,-0.2 -0.175 72.1 153.3 -48.7 126.4 3.7 -1.1 22.1 36 36 A M - 0 0 26 -3,-0.1 2,-1.5 2,-0.1 -3,-0.1 -0.939 45.5-125.4-156.6 141.6 0.3 -0.6 20.3 37 37 A N - 0 0 144 -2,-0.3 -2,-0.1 40,-0.0 0, 0.0 -0.488 34.9-178.3 -95.2 69.6 -2.7 -2.8 20.2 38 38 A L - 0 0 19 -2,-1.5 -2,-0.1 1,-0.1 39,-0.0 -0.359 28.6-111.6 -63.8 142.0 -3.3 -3.2 16.4 39 39 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.312 70.8 35.0 -68.3 158.0 -6.3 -5.3 15.5 40 40 A G S S- 0 0 62 19,-0.0 2,-0.1 2,-0.0 -2,-0.0 -0.288 93.7 -26.9 100.9-175.9 -6.1 -8.8 13.9 41 41 A K + 0 0 198 -2,-0.1 19,-0.3 19,-0.0 2,-0.3 -0.376 54.3 175.6 -76.9 151.4 -3.9 -11.8 13.9 42 42 A W - 0 0 127 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.950 18.9-138.6-145.8 163.8 -0.2 -11.7 14.8 43 43 A K E -I 58 0B 45 15,-1.7 15,-3.0 -2,-0.3 2,-0.1 -0.965 25.8-109.6-123.7 142.9 2.6 -14.2 15.3 44 44 A P E +I 57 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.454 41.9 174.1 -64.9 144.2 5.3 -14.3 18.0 45 45 A K E -I 56 0B 76 11,-2.0 11,-2.8 -2,-0.1 2,-0.4 -0.979 26.0-137.4-146.6 151.6 8.8 -13.6 16.7 46 46 A M E +I 55 0B 95 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.957 24.8 178.3-107.5 131.8 12.2 -13.1 18.3 47 47 A I E -I 54 0B 5 7,-2.2 7,-2.7 -2,-0.4 2,-0.3 -0.964 7.0-161.6-131.3 153.1 14.4 -10.3 17.0 48 48 A G E +I 53 0B 15 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.837 22.1 143.8-131.9 165.0 17.8 -9.2 18.2 49 49 A G E > -I 52 0B 11 3,-1.6 3,-1.8 -2,-0.3 153,-0.2 -0.824 68.0 -17.5-167.1-150.6 20.3 -6.4 18.2 50 50 A I T 3 S+ 0 0 14 151,-0.3 101,-2.5 -2,-0.3 102,-0.7 -0.449 131.2 27.6 -68.5 139.8 22.8 -5.0 20.6 51 51 A G T 3 S- 0 0 32 128,-0.3 2,-0.3 100,-0.3 -1,-0.2 0.234 120.9 -85.2 92.7 -12.5 21.9 -6.3 24.1 52 52 A G E < -I 49 0B 28 -3,-1.8 -3,-1.6 100,-0.2 2,-0.3 -0.787 64.1 -29.2 121.0-159.5 20.2 -9.5 22.9 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.734 43.9-167.2-104.0 148.7 16.9 -10.8 21.7 54 54 A I E -I 47 0B 24 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.4 -0.934 24.8-114.6-129.1 155.0 13.4 -9.6 22.5 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.777 40.2 174.8 -89.2 132.2 9.9 -11.0 21.9 56 56 A V E -I 45 0B 6 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.5 -0.886 32.3-116.3-135.3 162.9 7.7 -9.1 19.5 57 57 A R E -IJ 44 77B 43 20,-2.2 20,-2.5 -2,-0.3 2,-0.6 -0.907 28.0-144.5-103.6 126.5 4.3 -9.4 17.9 58 58 A Q E -IJ 43 76B 44 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.4 -0.831 17.1-177.2 -98.5 120.6 4.4 -9.7 14.1 59 59 A Y E - J 0 75B 3 16,-2.9 16,-2.8 -2,-0.6 3,-0.3 -0.963 16.0-145.0-114.9 132.1 1.6 -8.1 12.1 60 60 A D E + 0 0 90 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.637 66.2 9.8-100.6 153.4 1.6 -8.5 8.3 61 61 A Q E S+ 0 0 130 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.885 75.8 162.4 50.6 51.2 0.5 -6.2 5.5 62 62 A I E - J 0 73B 30 11,-2.7 11,-1.9 -3,-0.3 2,-0.2 -0.876 39.7-122.4 -98.3 122.6 0.0 -3.1 7.6 63 63 A P E + J 0 72B 85 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.499 32.9 179.0 -63.0 130.0 -0.0 0.3 5.7 64 64 A V E -EJ 15 71B 2 7,-2.2 7,-1.7 -2,-0.2 2,-0.5 -0.975 13.5-158.3-133.8 120.4 2.6 2.7 7.0 65 65 A E E -EJ 14 70B 38 -51,-2.4 -51,-2.3 -2,-0.4 2,-0.6 -0.872 7.2-162.5-100.7 129.1 3.0 6.1 5.4 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.1 -2,-0.5 -53,-0.2 -0.945 72.8 -27.7-118.9 111.1 6.5 7.7 5.9 67 67 A C T 3 S- 0 0 51 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.886 127.6 -48.2 47.2 43.8 6.7 11.4 5.3 68 68 A G T 3 S+ 0 0 54 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.458 115.1 119.1 80.4 0.9 3.8 11.1 2.9 69 69 A H E < - J 0 66B 70 -3,-2.1 -3,-3.1 0, 0.0 2,-0.2 -0.900 61.8-132.3-102.2 120.2 5.3 8.2 1.1 70 70 A K E + J 0 65B 136 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.516 32.5 163.7 -82.8 136.5 3.1 5.1 1.3 71 71 A A E - 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