==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-10 2XYE . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1 (Z2/CDC . AUTHOR P.OHRNGREN,X.WU,M.PERSSON,J.K.EKEGREN,H.WALLBERG,A.ROSENQUIS . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.2 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 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.0 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 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 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 81 0, 0.0 198,-1.3 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 163.9 29.4 39.4 4.8 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.885 360.0-163.3-100.4 119.2 29.4 36.9 2.0 3 3 A I E -A 197 0A 44 194,-3.3 194,-3.0 -2,-0.6 2,-0.1 -0.891 7.2-148.0-104.0 120.6 28.4 33.4 3.2 4 4 A T E -A 196 0A 62 -2,-0.6 3,-0.3 192,-0.2 192,-0.2 -0.446 10.5-137.0 -82.6 162.1 29.2 30.5 0.9 5 5 A L S S+ 0 0 2 190,-0.6 186,-0.2 1,-0.2 185,-0.1 0.152 75.0 106.5-107.3 20.8 27.0 27.4 0.8 6 6 A W S S+ 0 0 172 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.866 94.6 24.4 -62.9 -34.7 29.7 24.7 0.8 7 7 A Q S S- 0 0 129 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.784 111.2 -73.5-122.4 168.3 28.6 24.2 4.4 8 8 A R - 0 0 141 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.396 50.1-119.2 -61.5 134.9 25.4 24.8 6.2 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.535 46.7 172.0 -81.3 79.9 25.1 28.6 6.8 10 10 A L E +D 23 0B 74 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.718 4.8 174.9 -92.8 138.6 25.1 28.6 10.6 11 11 A V E -D 22 0B 14 11,-2.6 11,-2.8 -2,-0.4 2,-0.4 -0.915 32.9-109.2-137.0 161.7 25.2 31.8 12.6 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.2 9,-0.2 2,-0.4 -0.783 35.1-168.5 -93.6 135.8 25.0 32.8 16.2 13 13 A I E -DE 20 66B 3 7,-3.0 7,-2.5 -2,-0.4 2,-0.5 -0.949 15.1-142.7-125.2 146.7 21.9 34.7 17.2 14 14 A K E +DE 19 65B 115 51,-2.5 51,-2.0 -2,-0.4 2,-0.3 -0.945 35.2 151.6-108.9 123.3 21.1 36.6 20.4 15 15 A I E > +DE 18 64B 2 3,-2.7 3,-3.1 -2,-0.5 49,-0.1 -0.987 61.3 1.6-153.3 141.8 17.5 36.2 21.6 16 16 A G T 3 S- 0 0 46 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.792 128.4 -59.4 52.3 29.8 15.7 36.4 25.0 17 17 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.579 118.6 109.8 76.9 7.9 19.1 37.0 26.6 18 18 A Q E < -D 15 0B 78 -3,-3.1 -3,-2.7 2,-0.0 2,-0.5 -0.790 63.4-134.7-116.0 159.0 20.4 33.7 25.2 19 19 A L E +D 14 0B 129 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.951 31.8 169.4-112.8 130.0 22.9 32.8 22.5 20 20 A K E -D 13 0B 45 -7,-2.5 -7,-3.0 -2,-0.5 2,-0.4 -0.965 34.4-119.7-140.0 155.0 21.9 30.1 20.0 21 21 A E E +D 12 0B 128 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.809 39.5 177.3 -94.7 134.0 23.2 28.6 16.8 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.5 -0.974 28.9-118.4-140.7 155.2 20.7 28.9 13.9 23 23 A L E -Df 10 84B 11 60,-2.6 62,-3.5 -2,-0.3 2,-0.8 -0.784 21.8-132.9 -95.5 127.4 20.5 28.1 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.702 33.8-174.9 -77.9 111.6 20.0 30.9 7.7 25 25 A D > - 0 0 0 60,-2.6 3,-1.6 -2,-0.8 62,-0.3 -0.871 26.0-177.1-122.3 105.6 17.2 29.4 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.689 88.4 59.4 -66.4 -20.3 16.0 31.2 2.5 27 27 A G T 3 S+ 0 0 1 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.438 87.4 94.3 -89.2 1.2 13.4 28.5 2.0 28 28 A A < - 0 0 0 -3,-1.6 59,-2.9 57,-0.2 60,-0.2 -0.828 54.4-166.0 -99.3 124.9 11.8 29.2 5.4 29 29 A D S S+ 0 0 32 172,-2.9 59,-1.1 -2,-0.5 2,-0.2 0.930 77.8 32.1 -69.0 -44.5 8.8 31.5 5.7 30 30 A D S S- 0 0 32 171,-0.2 2,-0.5 57,-0.1 57,-0.2 -0.601 79.6-116.4-112.2 170.2 9.2 31.7 9.4 31 31 A T - 0 0 4 43,-0.5 45,-3.1 -2,-0.2 2,-0.4 -0.927 36.3-177.3-105.1 124.1 11.9 31.6 12.1 32 32 A V E -gH 76 84B 0 52,-1.5 52,-2.7 -2,-0.5 2,-0.3 -0.991 4.3-173.7-130.9 130.7 11.5 28.6 14.4 33 33 A L E -g 77 0B 1 43,-3.3 45,-2.1 -2,-0.4 47,-0.3 -0.850 31.5 -97.5-120.9 156.0 13.6 27.8 17.4 34 34 A E S S- 0 0 90 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.171 73.1 -51.9 -63.2 163.5 13.8 24.8 19.8 35 35 A E S S+ 0 0 110 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.065 80.1 139.0 -43.8 126.6 11.9 25.1 23.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.958 51.7 -96.6-161.2 167.0 12.8 28.2 25.0 37 37 A S + 0 0 92 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.763 37.1 177.3 -97.7 138.6 11.1 30.9 27.0 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.990 26.7-115.9-137.6 146.4 10.1 34.2 25.5 39 39 A P + 0 0 93 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.392 69.0 27.6 -80.3 158.2 8.2 37.1 27.1 40 40 A G S S- 0 0 56 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.313 95.2 -31.0 93.0-175.2 4.8 38.4 26.1 41 41 A R - 0 0 129 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.370 55.1-177.6 -80.4 159.1 1.7 36.8 24.6 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.979 14.3-151.6-152.7 161.8 1.6 34.0 22.1 43 43 A K E -I 58 0B 111 15,-1.4 15,-2.7 -2,-0.3 2,-0.1 -0.984 30.0-102.7-137.5 148.3 -0.8 31.9 20.0 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.366 40.7 177.1 -70.6 150.1 -0.6 28.3 18.8 45 45 A K E -I 56 0B 66 11,-2.0 11,-2.8 -2,-0.1 2,-0.5 -0.992 25.1-138.7-152.0 150.0 0.3 27.6 15.2 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.957 22.9-173.4-112.4 127.4 0.9 24.6 12.9 47 47 A I E -I 54 0B 4 7,-2.3 7,-2.0 -2,-0.5 2,-0.3 -0.943 6.6-153.3-121.9 144.4 3.8 24.8 10.5 48 48 A G E +I 53 0B 11 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.865 25.9 137.1-121.9 155.2 4.7 22.3 7.8 49 49 A G E > -I 52 0B 5 3,-2.3 3,-2.1 -2,-0.3 100,-0.1 -0.811 65.8 -22.0-162.7-161.1 7.8 21.2 6.0 50 50 A I T 3 S+ 0 0 6 1,-0.3 101,-1.9 -2,-0.2 102,-0.8 -0.400 132.0 23.8 -60.2 133.8 9.3 17.9 4.8 51 51 A G T 3 S- 0 0 33 128,-0.5 2,-0.3 100,-0.2 -1,-0.3 0.168 122.2 -84.9 96.9 -20.4 7.9 15.2 7.0 52 52 A G E < -I 49 0B 25 -3,-2.1 -3,-2.3 100,-0.2 2,-0.3 -0.905 65.0 -29.7 126.4-153.3 4.7 17.0 8.0 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.744 37.0-168.0-112.2 157.3 3.6 19.5 10.6 54 54 A I E -I 47 0B 22 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.4 -0.968 25.8-119.3-137.4 150.4 4.6 20.4 14.1 55 55 A K E +I 46 0B 140 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.777 38.2 171.4 -93.3 136.0 2.8 22.7 16.6 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.5 -0.852 34.7-109.6-136.6 170.2 4.6 25.7 17.9 57 57 A R E -IJ 44 77B 53 20,-3.0 20,-2.4 -2,-0.3 2,-0.6 -0.896 30.1-142.2-104.3 133.8 4.0 28.9 19.9 58 58 A Q E -IJ 43 76B 27 -15,-2.7 -15,-1.4 -2,-0.5 2,-0.5 -0.876 18.3-176.9-102.4 118.3 4.0 32.1 18.0 59 59 A Y E - J 0 75B 10 16,-2.4 16,-2.7 -2,-0.6 3,-0.3 -0.955 11.9-155.1-113.2 128.7 5.6 35.2 19.6 60 60 A D E + 0 0 39 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.636 66.2 21.5-102.9 161.7 5.4 38.5 17.8 61 61 A Q E S+ 0 0 145 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.927 76.2 165.6 51.5 54.2 7.6 41.5 18.0 62 62 A I E - J 0 73B 7 11,-2.8 11,-1.6 -3,-0.3 -1,-0.2 -0.887 36.5-126.2-103.6 125.0 10.6 39.7 19.5 63 63 A P E + J 0 72B 92 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.473 37.7 173.6 -68.2 138.5 13.9 41.5 19.5 64 64 A I E -EJ 15 71B 11 7,-3.3 7,-2.7 -2,-0.1 2,-0.4 -0.993 22.5-153.0-147.5 149.3 16.7 39.5 17.9 65 65 A E E -EJ 14 70B 55 -51,-2.0 -51,-2.5 -2,-0.3 2,-0.4 -0.991 11.2-178.4-129.2 128.0 20.3 40.0 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.8 3,-2.7 -2,-0.4 -53,-0.2 -0.983 74.0 -21.0-127.7 119.7 22.0 38.1 14.0 67 67 A C T 3 S- 0 0 54 -55,-1.2 -1,-0.1 -2,-0.4 3,-0.1 0.908 127.8 -51.1 48.6 47.5 25.7 38.7 13.2 68 68 A G T 3 S+ 0 0 51 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.335 113.9 122.0 75.9 -9.7 25.5 42.1 14.9 69 69 A H E < - 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