==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-02 1MUI . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR V.STOLL,W.QIN,K.D.STEWART,C.JAKOB,C.PARK,K.WALTER, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 34.3 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 . 0 0.0 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 . 28 14.1 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 . 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 2 1 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 . 3 2 2 0 0 4 0 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 B P 0 0 83 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 176.8 -13.1 39.5 30.0 2 2 B Q E -A 198 0A 129 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.854 360.0-163.4-103.8 138.0 -14.5 37.8 26.9 3 3 B I E -A 197 0A 39 194,-3.5 194,-3.0 -2,-0.4 2,-0.1 -0.967 3.8-157.6-126.6 117.3 -12.5 35.0 25.2 4 4 B T - 0 0 74 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.417 21.4-128.1 -81.6 167.4 -13.2 33.8 21.6 5 5 B L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.183 75.9 109.9-108.0 20.9 -12.1 30.3 20.8 6 6 B W S S+ 0 0 185 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.547 92.5 26.7 -70.4 -4.2 -10.1 30.8 17.6 7 7 B Q S S- 0 0 158 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.938 109.4 -73.6-147.8 163.7 -7.1 30.0 19.7 8 8 B R - 0 0 113 -2,-0.3 2,-2.8 1,-0.1 119,-0.1 -0.457 48.5-118.2 -64.8 128.3 -6.5 27.9 22.9 9 9 B P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.384 51.7 168.0 -68.0 73.2 -7.9 29.8 25.9 10 10 B L E +D 23 0B 91 -2,-2.8 2,-0.3 13,-0.2 13,-0.2 -0.745 5.9 171.4 -92.2 137.3 -4.6 30.1 27.6 11 11 B V E -D 22 0B 22 11,-2.4 11,-2.8 -2,-0.4 2,-0.5 -0.947 33.3-104.8-141.4 161.4 -4.2 32.4 30.6 12 12 B T E -D 21 0B 86 -2,-0.3 55,-2.0 9,-0.2 56,-0.3 -0.769 35.3-177.6 -95.1 127.1 -1.6 33.1 33.3 13 13 B I E -DE 20 66B 3 7,-1.0 7,-2.2 -2,-0.5 2,-0.5 -0.769 19.3-139.0-115.9 162.7 -2.0 31.9 36.8 14 14 B K E +DE 19 65B 105 51,-1.1 51,-2.2 -2,-0.3 2,-0.3 -0.992 31.4 159.4-123.2 125.2 0.0 32.3 39.9 15 15 B I E > -D 18 0B 2 3,-3.0 3,-0.9 -2,-0.5 49,-0.1 -0.945 61.8 -1.8-152.5 128.4 0.6 29.3 42.2 16 16 B G T 3 S- 0 0 48 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.782 127.6 -57.8 67.4 27.4 3.1 28.4 44.9 17 17 B G T 3 S+ 0 0 68 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.663 119.0 112.3 76.0 15.5 4.9 31.7 44.3 18 18 B Q E < -D 15 0B 69 -3,-0.9 -3,-3.0 0, 0.0 2,-0.4 -0.901 61.5-134.4-123.6 151.5 5.3 30.5 40.7 19 19 B L E +D 14 0B 139 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.854 34.0 153.5-106.6 137.6 3.9 31.8 37.4 20 20 B K E -D 13 0B 43 -7,-2.2 -7,-1.0 -2,-0.4 2,-0.4 -0.783 41.1-108.4-144.8-172.2 2.5 29.5 34.7 21 21 B E E -D 12 0B 110 -9,-0.2 62,-0.5 -2,-0.2 2,-0.4 -0.977 33.0-175.4-130.4 116.3 0.0 29.2 31.8 22 22 B A E -Df 11 83B 0 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.4 -0.895 23.2-125.6-116.6 145.3 -3.1 27.2 32.3 23 23 B L E -Df 10 84B 6 60,-3.3 62,-2.9 -2,-0.4 2,-0.8 -0.713 23.5-125.3 -88.0 131.5 -5.8 26.4 29.7 24 24 B L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.4 62,-0.1 -0.694 36.5-171.1 -77.1 113.4 -9.4 27.3 30.7 25 25 B D > + 0 0 14 60,-2.0 3,-1.1 -2,-0.8 62,-0.2 -0.870 30.9 173.2-120.2 106.2 -11.1 24.0 30.3 26 26 B T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.683 87.4 63.5 -76.0 -17.3 -14.9 23.6 30.5 27 27 B G T 3 S+ 0 0 21 -3,-0.1 2,-0.5 81,-0.1 -1,-0.2 0.474 89.4 84.7 -84.6 -1.0 -14.4 19.9 29.5 28 28 B A < - 0 0 15 -3,-1.1 59,-2.8 57,-0.2 60,-0.1 -0.898 55.7-168.7-107.0 127.4 -12.4 19.4 32.8 29 29 B D S S+ 0 0 48 -2,-0.5 59,-0.7 57,-0.2 2,-0.2 0.809 79.1 27.3 -78.3 -33.4 -14.3 18.5 36.0 30 30 B D S S- 0 0 68 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.649 85.8-104.7-121.6 178.3 -11.1 19.0 38.0 31 31 B T E -g 75 0B 0 43,-0.6 45,-3.0 -2,-0.2 2,-0.4 -0.932 33.6-179.7-111.8 126.6 -7.9 21.0 37.9 32 32 B V E -gH 76 84B 8 52,-1.1 52,-3.1 -2,-0.5 2,-0.3 -0.987 3.6-170.4-127.6 133.8 -4.6 19.3 36.9 33 33 B L E -g 77 0B 0 43,-3.9 45,-2.3 -2,-0.4 47,-0.2 -0.899 31.4 -95.0-124.7 154.7 -1.2 20.9 36.7 34 34 B E E -g 78 0B 87 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.198 67.5 -66.7 -60.1 155.0 2.2 19.8 35.4 35 35 B E S S+ 0 0 119 43,-0.6 2,-0.3 45,-0.2 -1,-0.2 -0.186 74.9 152.4 -48.3 123.4 4.6 18.4 37.9 36 36 B M - 0 0 11 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.968 50.3 -91.3-151.3 161.3 5.6 21.2 40.3 37 37 B S + 0 0 89 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.675 46.7 175.7 -81.7 121.8 6.8 21.6 43.8 38 38 B L - 0 0 19 -2,-0.5 2,-0.1 2,-0.1 39,-0.0 -0.992 24.1-128.0-131.6 133.8 3.9 22.2 46.2 39 39 B P + 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.417 66.4 37.2 -77.6 153.0 4.0 22.6 50.0 40 40 B G S S- 0 0 51 -2,-0.1 2,-0.1 19,-0.0 -2,-0.1 -0.307 93.4 -52.6 99.5 174.5 1.8 20.6 52.4 41 41 B R - 0 0 234 -2,-0.1 19,-0.3 1,-0.0 2,-0.2 -0.469 53.3-172.7 -85.6 160.6 0.5 17.0 52.4 42 42 B W - 0 0 116 -2,-0.1 17,-0.2 17,-0.1 -1,-0.0 -0.675 16.4-125.8-137.1-168.8 -1.3 15.4 49.5 43 43 B K E -I 58 0B 131 15,-0.6 15,-3.6 -2,-0.2 13,-0.0 -0.962 24.7-113.6-151.3 129.9 -3.2 12.3 48.5 44 44 B P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.285 44.8 159.9 -61.6 146.2 -2.8 9.8 45.6 45 45 B K E -I 56 0B 69 11,-2.0 11,-2.2 2,-0.0 2,-0.4 -0.977 30.0-135.2-161.8 161.7 -5.6 9.7 43.1 46 46 B M E -I 55 0B 131 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.991 13.2-168.4-130.5 131.7 -6.3 8.6 39.5 47 47 B I E -I 54 0B 30 7,-1.4 7,-1.3 -2,-0.4 2,-0.7 -0.926 14.9-140.1-118.2 144.2 -8.1 10.5 36.7 48 48 B G E +I 53 0B 49 -2,-0.4 5,-0.3 5,-0.2 2,-0.1 -0.872 28.3 165.8-110.6 108.1 -9.2 9.1 33.4 49 49 B G - 0 0 26 3,-2.7 3,-0.1 -2,-0.7 100,-0.1 -0.054 55.7 -69.5 -97.1-157.9 -8.9 11.2 30.3 50 50 B I S S+ 0 0 32 1,-0.2 3,-0.1 130,-0.1 103,-0.1 0.888 131.2 40.2 -65.7 -42.9 -9.1 10.3 26.6 51 51 B G S S- 0 0 25 101,-0.2 2,-0.3 1,-0.2 102,-0.3 0.628 125.4 -87.3 -84.3 -12.5 -5.9 8.3 26.4 52 52 B G - 0 0 22 100,-0.2 -3,-2.7 -3,-0.1 2,-0.2 -0.999 63.4 -33.5 145.8-146.6 -6.4 6.6 29.7 53 53 B F E -I 48 0B 151 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.636 41.6-161.2-110.3 168.0 -5.6 7.2 33.3 54 54 B I E -I 47 0B 19 -7,-1.3 -7,-1.4 -2,-0.2 2,-0.9 -0.988 24.3-118.2-146.6 149.2 -2.7 9.0 35.1 55 55 B K E +I 46 0B 175 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.807 44.6 168.8 -94.1 107.6 -1.4 9.0 38.7 56 56 B V E -I 45 0B 3 -11,-2.2 -11,-2.0 -2,-0.9 2,-0.5 -0.662 33.5-116.9-114.2 170.9 -1.8 12.4 40.2 57 57 B R E -IJ 44 77B 60 20,-2.4 20,-2.1 -2,-0.2 2,-0.6 -0.927 25.0-133.8-111.3 129.7 -1.5 13.9 43.7 58 58 B Q E -IJ 43 76B 47 -15,-3.6 -15,-0.6 -2,-0.5 2,-0.5 -0.728 21.7-175.0 -88.9 116.9 -4.5 15.6 45.3 59 59 B Y E - J 0 75B 7 16,-2.2 16,-2.3 -2,-0.6 3,-0.3 -0.944 3.8-167.8-112.7 125.3 -4.0 19.0 46.9 60 60 B D E + 0 0 78 -2,-0.5 14,-0.2 -19,-0.3 13,-0.0 -0.713 67.6 24.9-106.6 159.9 -6.8 20.6 48.8 61 61 B Q E S+ 0 0 158 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.869 79.7 154.1 54.8 42.6 -6.9 24.2 50.0 62 62 B I E - J 0 73B 26 11,-2.3 11,-2.0 -3,-0.3 2,-0.5 -0.903 39.2-134.7-105.4 123.7 -4.4 25.5 47.4 63 63 B L E - J 0 72B 85 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.637 24.5-178.3 -81.8 123.5 -4.6 29.1 46.4 64 64 B I E - J 0 71B 0 7,-3.2 7,-2.5 -2,-0.5 2,-0.7 -0.958 18.5-150.7-121.4 138.8 -4.5 29.9 42.7 65 65 B E E > -EJ 14 70B 63 -51,-2.2 -51,-1.1 -2,-0.4 2,-0.5 -0.845 16.2-166.1-112.6 94.7 -4.6 33.4 41.1 66 66 B I E > S-EJ 13 69B 0 3,-1.5 3,-1.3 -2,-0.7 -53,-0.2 -0.713 71.3 -28.7 -84.6 121.1 -6.2 33.1 37.7 67 67 B C T 3 S- 0 0 52 -55,-2.0 2,-0.8 -2,-0.5 -1,-0.3 0.866 127.9 -47.7 38.3 49.6 -5.7 36.1 35.5 68 68 B G T < S+ 0 0 47 -3,-0.5 -1,-0.3 -56,-0.3 -2,-0.1 -0.324 114.7 114.3 94.7 -52.8 -5.5 38.2 38.7 69 69 B H E < - J 0 66B 72 -3,-1.3 -3,-1.5 -2,-0.8 2,-0.4 -0.284 61.9-136.2 -57.2 130.6 -8.6 36.8 40.4 70 70 B K E + J 0 65B 146 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.755 33.4 158.6 -94.0 135.6 -7.7 34.9 43.6 71 71 B A E - J 0 64B 6 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.4 -0.974 25.6-146.1-149.8 158.9 -9.4 31.5 44.3 72 72 B I E + J 0 63B 69 -2,-0.3 2,-0.2 -9,-0.3 -9,-0.2 -0.997 36.5 115.7-134.7 133.9 -8.7 28.4 46.4 73 73 B G E - 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