==== 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 2XYF . 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 . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 72 36.4 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 . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 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 91 0, 0.0 198,-1.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 178.5 29.6 39.5 4.6 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.952 360.0-161.0-112.6 117.1 29.5 36.9 1.9 3 3 A I E -A 197 0A 41 194,-3.2 194,-2.8 -2,-0.6 2,-0.1 -0.866 8.9-145.4 -99.9 121.8 28.5 33.4 3.2 4 4 A T - 0 0 64 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.408 8.2-138.7 -79.6 163.5 29.4 30.5 0.9 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.137 75.2 105.0-110.9 19.9 27.1 27.5 0.8 6 6 A W S S+ 0 0 174 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.840 94.6 25.7 -64.7 -32.2 29.8 24.8 0.8 7 7 A Q S S- 0 0 129 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.823 111.5 -72.5-124.9 165.9 28.7 24.2 4.4 8 8 A R - 0 0 141 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.372 49.8-119.2 -59.8 131.3 25.5 24.9 6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.484 47.5 172.9 -76.3 77.3 25.2 28.7 6.8 10 10 A L E +D 23 0B 73 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.708 4.0 173.8 -91.4 137.5 25.2 28.6 10.6 11 11 A V E -D 22 0B 11 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.909 32.8-108.6-137.3 164.6 25.3 31.8 12.6 12 12 A T E -D 21 0B 85 -2,-0.3 55,-1.5 9,-0.2 2,-0.4 -0.798 34.5-169.8 -95.9 135.0 25.1 33.0 16.2 13 13 A I E -DE 20 66B 3 7,-3.1 7,-2.4 -2,-0.4 2,-0.6 -0.942 16.0-143.2-125.2 147.7 21.9 34.8 17.2 14 14 A K E +DE 19 65B 73 51,-2.6 51,-1.8 -2,-0.4 2,-0.3 -0.954 34.9 152.6-111.6 121.2 21.1 36.7 20.4 15 15 A I E > -DE 18 64B 0 3,-2.6 3,-2.2 -2,-0.6 49,-0.1 -0.982 62.8 -0.8-151.7 135.9 17.5 36.3 21.6 16 16 A G T 3 S- 0 0 40 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.850 127.5 -59.9 55.1 34.7 15.9 36.5 25.0 17 17 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.645 117.5 111.7 69.5 13.3 19.2 37.1 26.5 18 18 A Q E < -D 15 0B 75 -3,-2.2 -3,-2.6 2,-0.0 2,-0.5 -0.851 62.9-136.1-118.5 153.6 20.5 33.8 25.2 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.945 32.3 169.3-110.2 126.7 23.0 33.0 22.5 20 20 A K E -D 13 0B 43 -7,-2.4 -7,-3.1 -2,-0.5 2,-0.4 -0.949 33.8-121.2-136.2 156.7 22.0 30.2 20.1 21 21 A E E +D 12 0B 123 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.826 38.3 176.8 -97.1 133.9 23.3 28.8 16.8 22 22 A A E -D 11 0B 1 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.5 -0.957 29.7-115.6-139.9 159.2 20.8 29.0 13.9 23 23 A L E -Df 10 84B 13 60,-2.5 62,-3.5 -2,-0.3 2,-0.8 -0.806 23.2-132.3 -97.4 127.2 20.6 28.2 10.2 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.2 -0.697 33.4-173.6 -77.3 112.4 20.1 31.0 7.7 25 25 A D > - 0 0 16 60,-2.8 3,-1.5 -2,-0.8 62,-0.3 -0.870 25.3-177.2-120.7 104.5 17.3 29.6 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 99,-0.1 1,-0.3 -1,-0.1 0.687 88.5 56.7 -67.2 -19.6 16.1 31.4 2.5 27 27 A G T 3 S+ 0 0 13 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.421 86.3 97.3 -92.8 2.2 13.4 28.7 2.0 28 28 A A < - 0 0 17 -3,-1.5 59,-3.1 57,-0.2 60,-0.3 -0.818 54.2-164.3 -97.2 124.0 11.8 29.2 5.4 29 29 A D S S+ 0 0 53 -2,-0.5 59,-0.8 57,-0.2 2,-0.2 0.897 78.3 31.1 -67.2 -40.9 8.7 31.5 5.6 30 30 A D S S- 0 0 52 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.668 79.1-116.5-117.3 169.5 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 -0.926 36.8-178.3-105.1 123.7 11.9 31.7 12.1 32 32 A V E -gH 76 84B 10 52,-1.6 52,-2.8 -2,-0.5 2,-0.3 -0.990 4.5-174.1-132.2 129.6 11.5 28.7 14.4 33 33 A L E -g 77 0B 1 43,-3.0 45,-2.2 -2,-0.4 47,-0.3 -0.829 31.4 -96.9-119.7 158.2 13.7 27.8 17.4 34 34 A E S S- 0 0 92 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.203 72.8 -51.9 -66.0 162.7 13.9 24.9 19.7 35 35 A E S S+ 0 0 112 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.033 79.4 139.3 -43.1 126.6 12.0 25.1 23.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.967 51.9 -96.9-161.8 164.3 12.9 28.2 25.0 37 37 A S + 0 0 94 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.757 37.6 177.6 -95.1 136.7 11.2 30.9 27.1 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.986 26.9-115.3-135.4 145.7 10.2 34.2 25.5 39 39 A P + 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.411 69.5 27.8 -79.7 155.6 8.3 37.2 27.1 40 40 A G S S- 0 0 54 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.371 94.3 -34.5 96.5-174.9 4.9 38.3 26.2 41 41 A R - 0 0 132 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.429 54.5-177.8 -84.6 160.2 1.7 36.8 24.7 42 42 A W - 0 0 131 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.956 15.0-148.8-151.7 167.2 1.6 34.0 22.1 43 43 A K E -I 58 0B 108 15,-1.2 15,-2.8 -2,-0.3 2,-0.1 -0.989 29.9-102.3-141.3 148.1 -0.7 31.9 20.0 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.403 40.5 175.8 -71.8 148.1 -0.6 28.3 18.7 45 45 A K E -I 56 0B 71 11,-2.1 11,-2.9 -2,-0.1 2,-0.5 -0.989 25.1-138.7-149.9 149.5 0.3 27.7 15.1 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.959 22.9-169.9-112.0 126.8 0.9 24.6 13.0 47 47 A I E -I 54 0B 17 7,-2.3 7,-1.9 -2,-0.5 2,-0.4 -0.924 6.3-149.0-118.9 145.1 3.8 24.8 10.5 48 48 A G E +I 53 0B 48 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.871 27.8 138.6-118.2 148.5 4.6 22.4 7.7 49 49 A G E > -I 52 0B 20 3,-2.3 3,-1.9 -2,-0.4 2,-0.1 -0.763 65.3 -28.5-155.7-162.3 7.8 21.3 6.1 50 50 A I T 3 S+ 0 0 29 1,-0.3 101,-1.8 -2,-0.2 102,-0.8 -0.446 131.2 24.7 -62.7 133.0 9.3 18.0 4.8 51 51 A G T 3 S- 0 0 33 128,-0.5 2,-0.3 100,-0.2 -1,-0.3 0.212 122.8 -80.3 97.9 -17.0 7.8 15.3 6.9 52 52 A G E < -I 49 0B 28 -3,-1.9 -3,-2.3 100,-0.1 99,-0.3 -0.885 66.2 -35.9 125.4-155.9 4.7 17.0 8.0 53 53 A F E -I 48 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.718 36.8-165.4-112.3 160.4 3.6 19.6 10.5 54 54 A I E -I 47 0B 22 -7,-1.9 -7,-2.3 -2,-0.3 2,-0.4 -0.971 26.2-116.6-138.8 150.3 4.6 20.4 14.1 55 55 A K E +I 46 0B 142 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.769 39.6 171.9 -92.3 132.6 2.8 22.7 16.6 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.5 -0.819 34.1-111.6-132.7 171.3 4.6 25.8 17.8 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.912 29.1-142.5-106.0 132.5 4.0 28.9 19.9 58 58 A Q E -IJ 43 76B 28 -15,-2.8 -15,-1.2 -2,-0.5 2,-0.5 -0.865 18.1-177.2-102.3 117.8 4.0 32.2 18.0 59 59 A Y E - J 0 75B 10 16,-2.4 16,-2.8 -2,-0.6 3,-0.3 -0.951 12.2-155.6-111.5 129.0 5.6 35.2 19.7 60 60 A D E + 0 0 43 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.639 65.6 22.5-103.3 162.6 5.5 38.5 17.8 61 61 A Q E S+ 0 0 146 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.916 76.4 164.3 51.3 53.8 7.7 41.6 18.1 62 62 A I E - J 0 73B 6 11,-2.5 11,-1.6 -3,-0.3 -1,-0.2 -0.886 36.5-127.3-104.4 124.8 10.6 39.8 19.5 63 63 A P E + J 0 72B 84 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.464 37.1 171.1 -69.1 140.0 14.0 41.6 19.5 64 64 A I E -EJ 15 71B 10 7,-2.7 7,-2.6 -2,-0.1 2,-0.4 -0.984 23.3-151.7-148.9 152.5 16.8 39.5 17.9 65 65 A E E -EJ 14 70B 58 -51,-1.8 -51,-2.6 -2,-0.3 2,-0.5 -0.993 10.9-174.8-132.1 127.0 20.4 40.0 16.8 66 66 A I E > S-EJ 13 69B 1 3,-2.8 3,-2.8 -2,-0.4 -53,-0.2 -0.983 73.1 -22.2-124.4 122.7 22.0 38.1 14.0 67 67 A C T 3 S- 0 0 59 -55,-1.5 -1,-0.1 -2,-0.5 -54,-0.1 0.882 128.7 -49.6 45.8 44.8 25.7 38.5 13.2 68 68 A G T 3 S+ 0 0 48 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.226 114.1 118.8 83.7 -16.4 25.7 41.9 14.8 69 69 A H E < - 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