==== 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 28-AUG-08 3EC0 . 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) . 10162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 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 . 26 13.1 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 . 10 5.1 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 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 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 91 0, 0.0 198,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.5 17.8 3.0 -3.4 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.990 360.0-159.3-125.9 138.0 21.3 3.5 -1.9 3 3 A F E -A 197 0A 37 194,-3.3 194,-2.0 -2,-0.4 5,-0.0 -0.964 1.3-166.7-113.6 113.5 22.2 6.2 0.6 4 4 A S - 0 0 52 -2,-0.5 -1,-0.1 192,-0.2 190,-0.1 0.552 29.3-132.6 -87.6 -3.4 26.0 6.8 0.6 5 5 A L S S+ 0 0 1 2,-0.2 186,-0.2 1,-0.1 -1,-0.1 0.501 75.0 118.6 72.4 10.9 26.0 8.8 3.8 6 6 A W S S+ 0 0 186 184,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.777 88.4 28.6 -68.9 -24.5 28.1 11.6 2.5 7 7 A K S S- 0 0 158 180,-0.0 -2,-0.2 3,-0.0 0, 0.0 -0.833 112.0 -79.3-122.5 162.0 25.0 13.6 3.3 8 8 A R - 0 0 118 -2,-0.3 2,-1.7 1,-0.1 119,-0.1 -0.460 47.1-120.7 -59.6 132.9 22.3 13.0 6.0 9 9 A P + 0 0 3 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.571 52.3 159.9 -79.0 84.8 19.9 10.3 4.7 10 10 A V E +D 23 0B 62 -2,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.935 10.2 168.7-114.1 133.0 16.7 12.4 4.7 11 11 A V E -D 22 0B 19 11,-2.3 11,-2.8 -2,-0.4 2,-0.5 -0.820 37.5-100.1-135.3 166.0 13.6 11.5 2.7 12 12 A T E +D 21 0B 60 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.832 40.5 179.8 -94.9 129.1 10.0 12.7 2.6 13 13 A A E -DE 20 66B 0 7,-2.9 7,-2.8 -2,-0.5 2,-0.5 -0.849 23.4-136.6-117.8 160.3 7.5 10.4 4.3 14 14 A Y E -DE 19 65B 104 51,-2.7 51,-2.1 -2,-0.3 2,-0.6 -0.977 16.7-167.4-117.9 120.8 3.7 10.7 4.6 15 15 A I E > S-DE 18 64B 0 3,-2.7 3,-2.8 -2,-0.5 49,-0.2 -0.964 81.0 -19.3-111.3 117.9 2.4 9.9 8.1 16 16 A E T 3 S- 0 0 114 47,-2.1 -1,-0.2 -2,-0.6 48,-0.1 0.878 132.2 -52.3 49.5 38.4 -1.4 9.5 8.2 17 17 A G T 3 S+ 0 0 48 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.383 113.9 120.6 80.9 -3.2 -1.2 11.4 4.9 18 18 A Q E < -D 15 0B 78 -3,-2.8 -3,-2.7 1,-0.0 -1,-0.2 -0.798 62.3-126.4 -93.0 125.7 0.9 14.3 6.3 19 19 A P E +D 14 0B 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.467 36.0 166.3 -71.9 138.6 4.2 15.0 4.6 20 20 A V E -D 13 0B 18 -7,-2.8 -7,-2.9 -2,-0.2 2,-0.4 -0.987 36.8-122.6-144.9 143.9 7.3 15.1 6.9 21 21 A E E -D 12 0B 104 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.746 38.6-170.8 -83.8 135.0 11.0 15.1 6.2 22 22 A V E -D 11 0B 2 -11,-2.8 -11,-2.3 -2,-0.4 2,-0.5 -0.970 22.7-130.4-132.6 147.7 12.6 12.1 8.2 23 23 A L E -Df 10 84B 5 60,-2.7 62,-2.8 -2,-0.3 2,-0.9 -0.838 21.3-133.6 -96.3 126.0 16.1 10.9 8.9 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.2 -0.712 35.9-173.0 -83.4 108.0 16.7 7.3 8.2 25 25 A D > + 0 0 12 60,-2.8 3,-1.5 -2,-0.9 62,-0.3 -0.837 33.2 179.2-125.2 104.0 18.5 6.4 11.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.670 87.4 64.8 -71.8 -14.7 20.2 3.1 12.2 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.351 89.7 78.4 -89.3 7.2 21.2 4.5 15.6 28 28 A A < - 0 0 17 -3,-1.5 59,-3.0 57,-0.1 60,-0.2 -0.968 59.7-162.9-115.4 123.6 17.5 4.7 16.7 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.885 80.3 22.4 -66.6 -38.3 15.7 1.6 17.9 30 30 A D S S- 0 0 56 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.482 84.8-102.4-121.0-178.8 12.3 3.4 17.4 31 31 A S - 0 0 1 43,-0.3 45,-2.5 54,-0.2 2,-0.4 -0.928 28.9-177.8-121.3 139.4 10.8 6.3 15.5 32 32 A I E -gH 76 84B 13 52,-1.8 52,-3.1 -2,-0.4 2,-0.3 -0.996 2.2-179.2-141.4 132.0 10.0 9.8 16.8 33 33 A V E -g 77 0B 0 43,-2.5 45,-1.5 -2,-0.4 2,-0.3 -0.960 10.7-154.9-136.5 148.9 8.4 12.7 15.0 34 34 A A S S+ 0 0 26 -2,-0.3 45,-0.1 43,-0.2 3,-0.1 -0.754 70.9 39.7-112.6 159.8 7.4 16.2 15.9 35 35 A G S S+ 0 0 83 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.459 90.9 96.8 84.2 -3.4 4.8 18.5 14.4 36 36 A I - 0 0 12 -3,-0.1 2,-0.5 42,-0.1 -1,-0.2 -0.974 61.0-144.6-126.9 140.5 2.1 15.9 13.9 37 37 A E + 0 0 121 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.901 17.3 176.5-100.3 114.2 -0.9 15.1 16.2 38 38 A L - 0 0 24 -2,-0.5 3,-0.3 1,-0.3 2,-0.2 0.452 43.8-113.0-107.1 1.5 -1.8 11.4 16.3 39 39 A G - 0 0 26 1,-0.2 -1,-0.3 20,-0.0 0, 0.0 -0.552 37.3 -51.9 115.9-171.4 -4.6 11.5 18.9 40 40 A N S S+ 0 0 147 -2,-0.2 2,-1.1 1,-0.1 -1,-0.2 0.465 102.3 87.8 -92.5 -7.8 -5.6 10.5 22.5 41 41 A N + 0 0 149 -3,-0.3 19,-0.3 2,-0.0 2,-0.3 -0.742 64.3 109.0-103.0 90.5 -4.8 6.8 22.1 42 42 A Y - 0 0 94 -2,-1.1 17,-0.2 17,-0.1 34,-0.1 -0.893 62.2-123.1-142.9 174.4 -1.2 6.5 23.1 43 43 A S E -I 58 0B 63 15,-1.8 15,-2.7 -2,-0.3 2,-0.2 -0.996 32.6-128.7-123.6 121.7 1.1 5.2 25.8 44 44 A P E +I 57 0B 92 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.480 36.6 165.7 -71.4 139.1 3.5 7.8 27.3 45 45 A K E -I 56 0B 65 11,-2.1 11,-2.1 -2,-0.2 2,-0.4 -0.995 30.2-127.7-152.9 152.3 7.1 6.9 27.5 46 46 A I E -I 55 0B 110 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.812 21.6-170.4-101.5 137.3 10.4 8.6 28.0 47 47 A V E -I 54 0B 23 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.897 5.0-155.6-125.8 159.4 13.4 8.3 25.7 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.939 24.5 133.3-134.4 149.8 17.0 9.5 26.1 49 49 A G E > -I 52 0B 21 3,-2.6 3,-1.5 -2,-0.3 2,-0.2 -0.808 63.0 -16.7-160.9-151.0 19.9 10.4 24.0 50 50 A I T 3 S+ 0 0 21 1,-0.2 101,-2.8 -2,-0.2 102,-0.7 -0.464 129.1 18.2 -67.5 130.2 22.6 13.1 23.8 51 51 A G T 3 S- 0 0 32 128,-0.5 2,-0.4 100,-0.3 -1,-0.2 0.249 123.6 -74.3 96.0 -12.7 21.6 16.1 25.8 52 52 A G E < -I 49 0B 23 -3,-1.5 -3,-2.6 100,-0.2 2,-0.3 -0.987 64.6 -38.4 137.9-139.9 19.0 14.4 27.9 53 53 A F E -I 48 0B 159 -2,-0.4 2,-0.3 98,-0.3 -5,-0.2 -0.911 34.5-159.9-136.9 152.3 15.5 12.9 27.8 54 54 A I E -I 47 0B 23 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.3 -0.991 22.4-120.2-137.7 147.7 12.1 13.7 26.3 55 55 A N E -I 46 0B 126 -2,-0.3 24,-0.5 -9,-0.2 2,-0.3 -0.651 38.3-177.9 -74.1 137.6 8.6 12.8 27.0 56 56 A T E -IJ 45 78B 4 -11,-2.1 -11,-2.1 -2,-0.3 2,-0.5 -0.916 27.8-132.7-134.8 164.6 6.9 11.0 24.1 57 57 A K E -IJ 44 77B 75 20,-2.4 20,-2.3 -2,-0.3 2,-0.5 -0.985 25.1-145.5-115.4 118.2 3.5 9.6 23.2 58 58 A E E -IJ 43 76B 35 -15,-2.7 -15,-1.8 -2,-0.5 2,-0.4 -0.807 16.8-174.0 -94.0 124.7 3.7 6.1 21.6 59 59 A Y E - J 0 75B 10 16,-2.9 16,-2.7 -2,-0.5 3,-0.3 -0.940 10.0-147.7-118.0 134.4 1.2 5.2 18.9 60 60 A K E + 0 0 135 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.675 69.8 17.8-100.8 155.3 0.8 1.8 17.3 61 61 A N E S+ 0 0 127 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.818 75.9 170.9 58.6 42.2 -0.3 0.7 13.8 62 62 A V E - J 0 73B 6 11,-2.6 11,-2.2 -3,-0.3 2,-0.4 -0.653 36.9-116.8 -85.2 134.7 0.3 4.1 12.1 63 63 A E E - J 0 72B 63 -2,-0.3 -47,-2.1 9,-0.2 2,-0.4 -0.551 38.3-179.5 -70.0 124.8 0.1 4.4 8.3 64 64 A I E -EJ 15 71B 0 7,-3.0 7,-3.2 -2,-0.4 2,-0.5 -0.996 15.2-170.1-128.9 132.6 3.5 5.4 6.9 65 65 A E E +EJ 14 70B 82 -51,-2.1 -51,-2.7 -2,-0.4 2,-0.3 -0.997 28.0 141.8-117.1 120.0 4.4 5.9 3.2 66 66 A V E > +EJ 13 69B 4 3,-2.3 3,-1.8 -2,-0.5 -53,-0.1 -0.970 60.5 12.5-156.5 143.8 8.1 6.3 2.6 67 67 A L T 3 S- 0 0 30 -55,-0.5 3,-0.1 -2,-0.3 -54,-0.1 0.844 128.5 -62.0 56.0 38.0 10.5 5.2 -0.2 68 68 A N T 3 S+ 0 0 156 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.731 116.9 109.1 56.3 31.5 7.6 4.2 -2.4 69 69 A K E < - J 0 66B 104 -3,-1.8 -3,-2.3 2,-0.0 2,-0.5 -0.954 58.9-144.7-126.0 149.8 6.5 1.6 0.2 70 70 A K E + J 0 65B 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.960 28.4 162.1-114.5 126.1 3.5 1.6 2.6 71 71 A V E - J 0 64B 22 -7,-3.2 -7,-3.0 -2,-0.5 2,-0.5 -0.938 34.4-132.2-134.2 162.4 3.9 0.1 6.0 72 72 A R E + J 0 63B 174 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.979 43.6 153.1-114.3 130.0 2.1 0.3 9.4 73 73 A A E - J 0 62B 10 -11,-2.2 -11,-2.6 -2,-0.5 2,-0.4 -0.921 47.2 -84.4-148.0 169.3 4.4 0.9 12.3 74 74 A T E - 0 0 40 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.3 -0.668 43.9-175.5 -80.3 133.3 4.8 2.3 15.8 75 75 A I E - J 0 59B 0 -16,-2.7 -16,-2.9 -2,-0.4 2,-0.4 -0.997 14.1-152.2-132.3 134.3 5.5 6.0 16.0 76 76 A M E -gJ 32 58B 3 -45,-2.5 -43,-2.5 -2,-0.4 2,-0.4 -0.838 9.7-153.8 -94.6 142.0 6.3 8.2 19.0 77 77 A T E +gJ 33 57B 15 -20,-2.3 -20,-2.4 -2,-0.4 2,-0.3 -0.896 35.7 117.9-108.6 149.9 5.4 11.9 19.0 78 78 A G E S- J 0 56B 19 -45,-1.5 2,-2.1 -2,-0.4 -22,-0.1 -0.958 73.1 -61.1 173.5 179.0 7.4 14.4 21.0 79 79 A D + 0 0 141 -24,-0.5 -45,-0.1 -2,-0.3 -23,-0.1 -0.290 67.2 155.6 -86.0 62.6 9.5 17.5 21.0 80 80 A T - 0 0 5 -2,-2.1 -2,-0.1 1,-0.1 -46,-0.1 -0.679 45.8-136.6 -82.9 141.5 12.4 16.0 19.0 81 81 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.650 89.9 26.2 -74.6 -11.9 14.5 18.5 17.1 82 82 A I S S- 0 0 49 -50,-0.1 2,-0.5 68,-0.0 -60,-0.1 -0.983 87.2-111.2-146.5 148.7 14.6 16.2 14.0 83 83 A N - 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