==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-96 5UPJ . COMPND 2 MOLECULE: HIV-2 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 2; . AUTHOR K.D.WATENPAUGH,A.M.MULICHAK,B.C.FINZEL . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 71 35.9 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 . 30 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 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 3 2 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 99 0, 0.0 198,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.7 21.2 25.7 22.6 2 2 A Q E -A 198 0A 120 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.996 360.0-155.3-138.4 132.8 19.7 25.0 19.3 3 3 A F E -A 197 0A 40 194,-2.7 194,-2.1 -2,-0.4 5,-0.0 -0.923 3.5-162.9-110.4 129.8 17.2 22.3 18.4 4 4 A S - 0 0 61 -2,-0.5 -1,-0.1 192,-0.2 190,-0.1 0.465 25.1-140.3 -85.7 -10.4 17.0 21.1 14.7 5 5 A L S S+ 0 0 5 1,-0.2 3,-0.4 192,-0.1 186,-0.2 0.488 73.6 112.1 64.5 3.2 13.6 19.5 15.1 6 6 A W S S+ 0 0 188 1,-0.2 -1,-0.2 184,-0.1 185,-0.0 0.743 92.1 27.2 -74.2 -22.3 14.7 16.5 12.9 7 7 A K S S- 0 0 86 180,-0.0 3,-0.2 3,-0.0 -1,-0.2 0.006 119.6 -87.0-131.7 29.0 14.4 14.4 16.0 8 8 A R - 0 0 100 -3,-0.4 2,-1.6 1,-0.2 119,-0.1 0.933 39.1-107.4 70.0 104.4 11.9 15.9 18.5 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.347 55.1 162.5 -65.6 86.6 13.0 18.6 21.1 10 10 A V E +D 23 0B 66 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.902 6.7 165.3-114.1 135.3 13.0 16.5 24.3 11 11 A V E -D 22 0B 17 11,-2.5 11,-3.0 -2,-0.4 2,-0.5 -0.850 37.1-106.0-138.1 174.4 14.8 17.5 27.5 12 12 A T E +D 21 0B 60 -2,-0.3 55,-0.4 9,-0.2 2,-0.3 -0.917 37.3 177.5-108.2 121.7 15.1 16.7 31.2 13 13 A A E -D 20 0B 0 7,-1.4 7,-2.9 -2,-0.5 2,-0.5 -0.897 22.8-135.3-123.0 151.1 13.5 19.3 33.5 14 14 A Y E -DE 19 65B 96 51,-2.6 51,-2.8 -2,-0.3 2,-0.8 -0.951 9.2-158.2-110.7 128.2 13.2 19.1 37.3 15 15 A I E > S-DE 18 64B 0 3,-2.6 3,-1.6 -2,-0.5 49,-0.2 -0.903 83.9 -28.8-107.7 101.6 9.9 20.0 38.9 16 16 A E T 3 S- 0 0 74 47,-2.4 -1,-0.2 -2,-0.8 48,-0.1 0.937 131.9 -43.9 54.0 44.8 10.6 20.9 42.5 17 17 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 46,-0.2 47,-0.1 0.050 112.0 115.4 94.1 -28.0 13.6 18.6 42.3 18 18 A Q E < -D 15 0B 76 -3,-1.6 -3,-2.6 1,-0.0 2,-0.3 -0.664 61.9-132.6 -81.1 127.5 12.0 15.5 40.5 19 19 A P E +D 14 0B 85 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.674 32.6 168.1 -82.9 135.7 13.6 14.9 37.0 20 20 A V E -D 13 0B 23 -7,-2.9 -7,-1.4 -2,-0.3 2,-0.5 -0.813 34.7-117.3-137.1 172.7 11.2 14.3 34.1 21 21 A E E -D 12 0B 118 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.979 37.9-180.0-115.7 129.9 11.5 14.2 30.3 22 22 A V E -D 11 0B 2 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.4 -0.964 25.5-131.6-136.7 147.5 9.5 16.8 28.5 23 23 A L E -Df 10 84B 7 60,-2.6 62,-2.8 -2,-0.3 2,-0.9 -0.822 26.7-123.7 -97.3 134.7 8.8 17.8 24.8 24 24 A L E - f 0 85B 5 -15,-2.6 2,-0.6 -2,-0.4 62,-0.1 -0.738 33.4-168.4 -81.6 109.7 9.2 21.5 23.9 25 25 A D - 0 0 15 60,-2.5 65,-0.2 -2,-0.9 3,-0.1 -0.894 21.0-177.7-108.9 116.3 5.8 22.4 22.4 26 26 A T S S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.566 84.2 52.6 -86.5 -11.3 5.3 25.7 20.5 27 27 A G S S+ 0 0 10 96,-0.1 2,-0.3 81,-0.1 -1,-0.2 0.635 89.6 85.6 -97.3 -18.5 1.6 25.2 19.9 28 28 A A - 0 0 20 57,-0.2 59,-2.7 -3,-0.1 60,-0.1 -0.665 59.4-158.2 -86.7 139.9 0.4 24.4 23.4 29 29 A D S S+ 0 0 73 -2,-0.3 59,-0.9 57,-0.2 2,-0.2 0.790 77.0 33.4 -84.6 -28.4 -0.5 27.4 25.6 30 30 A D S S- 0 0 71 57,-0.1 2,-0.4 58,-0.1 57,-0.2 -0.601 79.0-118.8-117.7-178.0 -0.0 25.5 28.8 31 31 A S - 0 0 0 43,-0.3 45,-2.1 -2,-0.2 2,-0.3 -0.949 23.8-179.6-130.3 142.6 2.2 22.7 30.2 32 32 A I E -gH 76 84B 6 52,-1.4 52,-2.1 -2,-0.4 2,-0.3 -0.999 1.0-176.8-143.5 139.3 1.2 19.3 31.5 33 33 A V E -g 77 0B 0 43,-3.0 45,-1.3 -2,-0.3 2,-0.4 -0.943 22.8-122.6-135.3 150.9 3.3 16.4 32.8 34 34 A A S S+ 0 0 33 -2,-0.3 45,-0.1 43,-0.2 49,-0.1 -0.842 82.3 5.8 -97.9 133.3 2.5 12.8 34.0 35 35 A G S S+ 0 0 70 -2,-0.4 -1,-0.1 1,-0.3 42,-0.1 -0.026 79.1 129.4 97.3 -38.3 3.3 11.5 37.5 36 36 A I - 0 0 7 42,-0.1 2,-0.5 -18,-0.0 -1,-0.3 -0.296 39.4-160.2 -55.4 141.7 4.7 14.5 39.4 37 37 A E + 0 0 159 40,-0.0 2,-0.2 2,-0.0 -1,-0.0 -0.996 19.4 167.4-128.6 119.3 3.0 15.0 42.8 38 38 A L - 0 0 26 -2,-0.5 24,-0.0 2,-0.1 -22,-0.0 -0.446 35.3-140.9-118.4-167.4 3.4 18.4 44.3 39 39 A G + 0 0 67 -2,-0.2 3,-0.1 2,-0.1 -1,-0.0 0.384 57.0 117.8-138.4 -6.1 1.8 20.4 47.1 40 40 A N S S- 0 0 39 1,-0.2 2,-0.2 20,-0.0 21,-0.1 0.147 84.5 -63.6 -53.8 179.5 1.4 24.0 45.8 41 41 A N - 0 0 57 19,-0.3 19,-1.5 1,-0.0 2,-0.3 -0.544 67.1-168.7 -69.0 139.0 -2.0 25.4 45.5 42 42 A Y E -I 59 0B 144 -2,-0.2 17,-0.2 17,-0.2 15,-0.0 -0.966 21.1-165.1-136.2 154.8 -4.1 23.4 43.0 43 43 A S E -I 58 0B 64 15,-2.1 15,-3.0 -2,-0.3 2,-0.2 -0.983 30.8-114.3-135.3 135.8 -7.3 23.6 41.1 44 44 A P E +I 57 0B 104 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.542 47.2 165.5 -67.9 140.9 -9.1 20.7 39.2 45 45 A K E -I 56 0B 67 11,-3.0 11,-3.4 -2,-0.2 2,-0.4 -0.968 29.2-143.3-155.4 155.4 -9.1 21.4 35.5 46 46 A I E -I 55 0B 95 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 17.6-161.7-126.0 140.4 -9.8 19.6 32.2 47 47 A V E -I 54 0B 20 7,-2.2 7,-2.3 -2,-0.4 2,-0.6 -0.872 14.9-130.3-121.1 157.4 -7.9 20.2 29.0 48 48 A G E -I 53 0B 50 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.915 23.8-173.2-109.5 119.3 -8.6 19.5 25.3 49 49 A G - 0 0 22 3,-2.9 3,-0.4 -2,-0.6 102,-0.1 -0.346 51.0 -79.1 -93.6-172.1 -5.9 17.8 23.3 50 50 A I S S+ 0 0 52 1,-0.2 101,-0.1 -2,-0.1 3,-0.1 0.537 129.9 26.6 -70.0 4.6 -5.9 17.2 19.6 51 51 A G S S- 0 0 33 99,-1.4 102,-0.3 1,-0.4 2,-0.3 0.451 124.8 -32.8-144.1 -3.2 -8.2 14.2 20.2 52 52 A G - 0 0 24 98,-0.6 -3,-2.9 -3,-0.4 -1,-0.4 -0.927 69.2 -65.3 163.3 176.6 -10.2 14.5 23.4 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.640 35.8-164.3 -96.0 149.0 -10.4 15.9 26.9 54 54 A I E -I 47 0B 36 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.5 -0.974 22.9-119.5-128.8 142.3 -8.2 14.8 29.8 55 55 A N E +I 46 0B 134 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.729 41.2 175.1 -86.8 123.4 -8.8 15.4 33.6 56 56 A T E -I 45 0B 10 -11,-3.4 -11,-3.0 -2,-0.5 2,-0.4 -0.777 31.8-136.5-125.0 166.7 -5.9 17.4 35.2 57 57 A L E -IJ 44 77B 45 20,-1.9 20,-2.3 -2,-0.3 2,-0.5 -0.963 27.6-144.2-119.2 134.4 -5.0 19.1 38.5 58 58 A E E -IJ 43 76B 29 -15,-3.0 -15,-2.1 -2,-0.4 2,-0.3 -0.940 13.2-167.6-111.0 126.7 -3.4 22.5 38.1 59 59 A Y E -IJ 42 75B 13 16,-2.3 16,-1.6 -2,-0.5 2,-0.3 -0.843 4.1-157.2-110.3 144.7 -0.6 23.9 40.3 60 60 A K E S+ 0 0 102 -19,-1.5 -19,-0.3 -2,-0.3 14,-0.2 -0.746 70.4 25.4-115.8 159.1 0.6 27.5 40.5 61 61 A N E S+ 0 0 111 -2,-0.3 2,-0.4 1,-0.2 13,-0.2 0.831 77.1 166.8 58.9 37.8 4.0 28.8 41.7 62 62 A V E - J 0 73B 0 11,-3.1 11,-2.5 -3,-0.2 2,-0.5 -0.703 35.5-128.7 -89.3 126.7 5.9 25.6 40.8 63 63 A E E - J 0 72B 59 -2,-0.4 -47,-2.4 9,-0.2 2,-0.4 -0.641 32.8-176.9 -77.1 125.9 9.7 25.8 40.8 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-1.9 -2,-0.5 2,-0.6 -0.973 17.3-162.7-129.2 131.5 11.0 24.4 37.5 65 65 A E E +EJ 14 70B 63 -51,-2.8 -51,-2.6 -2,-0.4 2,-0.3 -0.944 23.5 155.3-115.7 120.6 14.6 23.9 36.3 66 66 A V E > - J 0 69B 5 3,-2.0 3,-2.8 -2,-0.6 -53,-0.1 -0.983 66.3 -2.8-142.1 146.5 15.1 23.4 32.6 67 67 A L T 3 S- 0 0 43 -55,-0.4 3,-0.1 -2,-0.3 -54,-0.1 0.749 127.9 -59.1 39.6 37.5 18.1 24.0 30.4 68 68 A N T 3 S+ 0 0 151 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.700 114.5 111.4 70.6 25.7 20.0 25.4 33.4 69 69 A K E < - J 0 66B 98 -3,-2.8 -3,-2.0 2,-0.0 2,-0.3 -0.991 57.8-141.8-131.0 130.1 17.5 28.2 34.1 70 70 A K E + J 0 65B 143 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.735 24.7 172.6 -95.1 144.4 15.1 28.3 37.1 71 71 A V E - J 0 64B 26 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.5 -0.951 32.1-132.5-145.4 161.0 11.5 29.6 36.8 72 72 A R E + J 0 63B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.981 50.0 153.2-112.9 120.2 8.3 29.9 38.8 73 73 A A E - 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