==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE SUBSTRATE 19-APR-12 4EQJ . COMPND 2 MOLECULE: PROTEASE, TETHERED DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 33.5 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 . 5 2.4 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 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.4 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 1 0 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 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 0 1 2 1 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 0 110 0, 0.0 200,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.0 -1.2 8.6 35.5 2 2 A Q E -A 200 0A 100 198,-0.2 2,-0.5 199,-0.1 198,-0.2 -0.839 360.0-163.1-108.1 130.7 2.1 7.0 34.4 3 3 A I E -A 199 0A 38 196,-2.8 196,-2.9 -2,-0.4 2,-0.1 -0.971 13.8-152.8-114.0 114.6 2.4 3.8 32.4 4 4 A T - 0 0 70 -2,-0.5 194,-0.1 194,-0.2 3,-0.1 -0.255 12.1-131.6 -84.8-179.1 5.8 2.2 32.4 5 5 A L S S+ 0 0 1 192,-0.4 188,-0.2 1,-0.1 187,-0.1 0.090 73.6 103.9-130.0 19.0 7.3 -0.0 29.7 6 6 A W S S+ 0 0 184 187,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.838 94.6 34.8 -70.5 -31.2 8.6 -3.2 31.4 7 7 A K S S- 0 0 66 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.766 111.4 -79.4-112.3 164.1 5.6 -4.9 30.0 8 8 A R - 0 0 90 -2,-0.3 2,-2.1 1,-0.1 121,-0.1 -0.381 46.3-118.5 -55.8 136.1 3.7 -4.2 26.8 9 9 A P + 0 0 5 0, 0.0 15,-3.0 0, 0.0 2,-0.2 -0.432 50.8 164.5 -83.1 73.6 1.5 -1.2 27.2 10 10 A L E +D 23 0B 70 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.551 9.8 178.2 -87.9 143.8 -1.9 -2.9 26.6 11 11 A V E -D 22 0B 13 11,-2.3 11,-2.6 -2,-0.2 2,-0.5 -0.975 32.8-109.5-138.6 157.0 -5.1 -1.2 27.6 12 12 A T E -D 21 0B 95 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.776 37.9-167.4 -85.6 130.6 -8.8 -2.1 27.4 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.1 -2,-0.5 2,-0.5 -0.837 16.2-140.4-114.0 155.7 -10.6 0.0 24.8 14 14 A R E +DE 19 65B 130 51,-2.2 51,-2.6 -2,-0.3 2,-0.4 -0.984 32.0 160.1-114.8 122.5 -14.3 0.5 24.2 15 15 A I E > -D 18 0B 2 3,-2.3 3,-1.0 -2,-0.5 49,-0.1 -0.984 67.1 -8.9-145.0 129.3 -15.2 0.7 20.5 16 16 A G T 3 S- 0 0 56 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.867 129.4 -54.5 50.1 41.7 -18.7 0.1 18.9 17 17 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.782 117.3 112.9 64.6 32.1 -20.0 -1.2 22.3 18 18 A Q E < -D 15 0B 88 -3,-1.0 -3,-2.3 2,-0.0 2,-0.4 -0.995 61.3-135.1-135.6 138.6 -17.2 -3.8 22.5 19 19 A L E +D 14 0B 107 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.722 32.3 168.3 -87.9 138.2 -14.2 -4.2 24.8 20 20 A K E -D 13 0B 52 -7,-2.1 -7,-3.3 -2,-0.4 2,-0.5 -0.980 35.1-117.6-143.7 161.6 -10.9 -5.0 23.3 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.830 39.1 173.0 -92.5 130.4 -7.2 -5.2 24.2 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.5 -0.963 29.4-119.6-138.8 158.1 -5.0 -2.8 22.3 23 23 A L E -Df 10 84B 1 60,-2.7 62,-2.7 -2,-0.3 2,-0.7 -0.828 21.9-128.3-100.4 127.9 -1.3 -1.7 22.5 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.1 -0.644 37.3-173.9 -73.8 111.8 -0.4 1.9 23.1 25 25 A N > + 0 0 0 60,-2.8 3,-1.5 -2,-0.7 62,-0.3 -0.823 28.0 175.9-126.6 93.3 2.0 2.4 20.1 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 100,-0.1 0.665 82.7 67.8 -65.8 -18.2 3.9 5.6 19.7 27 27 A G T 3 S+ 0 0 1 178,-0.2 178,-2.3 83,-0.1 2,-0.5 0.380 90.2 79.2 -81.9 6.2 5.6 4.1 16.7 28 28 A S B < -K 204 0C 0 -3,-1.5 59,-2.9 176,-0.3 176,-0.3 -0.955 55.6-166.4-121.1 133.1 2.4 4.1 14.7 29 29 A D S S+ 0 0 26 174,-2.5 59,-1.1 -2,-0.5 2,-0.3 0.824 79.8 47.3 -72.1 -38.9 0.8 7.0 12.9 30 30 A F S S- 0 0 51 173,-0.3 2,-0.5 57,-0.1 57,-0.2 -0.698 82.6-119.5-110.5 152.4 -2.5 5.2 12.5 31 31 A T - 0 0 1 43,-0.5 45,-2.6 -2,-0.3 2,-0.5 -0.877 34.5-168.7 -90.1 124.1 -4.8 3.2 14.8 32 32 A V E -gH 76 84B 0 52,-2.0 52,-2.1 -2,-0.5 2,-0.3 -0.944 3.8-171.4-126.4 110.1 -5.0 -0.4 13.4 33 33 A L E -g 77 0B 2 43,-3.4 45,-2.5 -2,-0.5 47,-0.3 -0.772 28.4-106.5-104.0 142.1 -7.6 -2.9 14.7 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.245 66.4 -58.4 -52.1 150.3 -7.9 -6.6 13.9 35 35 A E S S+ 0 0 116 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 0.053 78.8 139.8 -36.5 124.9 -10.8 -7.6 11.7 36 36 A M - 0 0 20 -3,-0.2 2,-0.7 2,-0.0 -3,-0.0 -0.960 55.1 -98.6-160.8 161.4 -14.2 -6.6 13.2 37 37 A N - 0 0 157 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.838 41.1-176.7 -90.9 117.1 -17.5 -5.1 12.0 38 38 A L - 0 0 15 -2,-0.7 2,-0.7 2,-0.1 -2,-0.0 -0.918 27.1-121.3-110.0 141.9 -17.7 -1.4 12.5 39 39 A P + 0 0 103 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.743 68.2 70.6 -77.1 111.9 -20.7 0.8 11.8 40 40 A G S S- 0 0 47 -2,-0.7 2,-0.2 2,-0.0 -2,-0.1 -0.859 86.1 -67.5 169.3 167.2 -19.8 3.5 9.3 41 41 A K - 0 0 98 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.532 57.5-173.2 -56.5 141.2 -18.9 4.6 5.8 42 42 A W E -I 59 0B 124 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.991 16.3-148.7-144.9 144.7 -15.5 3.2 5.2 43 43 A K E -I 58 0B 110 15,-1.8 15,-2.1 -2,-0.3 13,-0.1 -0.957 27.6-108.3-114.5 139.0 -13.0 3.6 2.4 44 44 A P E +I 57 0B 99 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.202 46.1 175.7 -51.5 142.9 -10.5 1.0 1.1 45 45 A K E -I 56 0B 58 11,-2.1 11,-3.0 2,-0.0 2,-0.4 -0.978 25.9-142.0-151.8 163.7 -6.9 1.9 2.1 46 46 A M E +I 55 0B 81 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.995 25.8 176.3-129.7 129.2 -3.4 0.5 1.8 47 47 A I E -I 54 0B 5 7,-2.9 7,-3.2 -2,-0.4 -2,-0.0 -0.909 38.9 -50.8-127.7 160.5 -0.8 0.8 4.6 48 48 A R + 0 0 52 -2,-0.3 6,-0.2 5,-0.2 105,-0.1 0.482 55.2 173.7 32.3-146.3 2.7 -0.1 5.6 49 49 A G > - 0 0 9 103,-0.2 3,-1.9 4,-0.2 104,-0.3 0.611 41.9-112.3 111.2 110.3 3.5 -3.8 5.4 50 50 A I T 3 S+ 0 0 29 102,-2.8 105,-0.1 1,-0.3 101,-0.0 -0.613 115.8 13.0 -60.2 116.7 6.6 -5.8 5.9 51 51 A G T 3 S- 0 0 90 -2,-0.3 2,-0.3 103,-0.1 -1,-0.3 0.378 138.1 -34.7 91.9 -2.0 7.0 -6.9 2.3 52 52 A G S < S- 0 0 38 -3,-1.9 2,-0.3 -5,-0.0 -5,-0.0 -0.895 90.6 -32.7 146.8-167.1 4.5 -4.5 0.7 53 53 A F - 0 0 151 -2,-0.3 2,-0.4 -7,-0.1 -5,-0.2 -0.600 45.8-150.0 -84.7 136.2 1.2 -2.8 1.4 54 54 A I E -I 47 0B 19 -7,-3.2 -7,-2.9 -2,-0.3 2,-0.4 -0.851 19.8-123.1-101.4 142.7 -1.6 -4.3 3.4 55 55 A K E +I 46 0B 161 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.709 36.1 171.1 -84.6 136.5 -5.2 -3.5 2.7 56 56 A V E -I 45 0B 6 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.844 33.7-116.7-134.5 166.5 -7.3 -2.0 5.4 57 57 A R E -IJ 44 77B 42 20,-2.4 20,-2.6 -2,-0.3 2,-0.7 -0.935 28.8-142.7-105.4 134.7 -10.7 -0.5 5.8 58 58 A Q E -IJ 43 76B 31 -15,-2.1 -15,-1.8 -2,-0.5 2,-0.6 -0.886 16.1-173.9-106.5 110.8 -10.7 3.1 6.9 59 59 A Y E -IJ 42 75B 4 16,-3.1 16,-3.1 -2,-0.7 3,-0.3 -0.910 13.1-152.9-102.5 124.5 -13.4 4.3 9.3 60 60 A D E + 0 0 67 -2,-0.6 14,-0.1 -19,-0.5 -19,-0.1 -0.589 65.0 9.5 -96.1 154.9 -13.4 8.0 10.1 61 61 A Q E S+ 0 0 164 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.883 78.8 163.6 44.8 54.2 -14.7 9.8 13.2 62 62 A I E - J 0 73B 16 11,-2.5 11,-2.2 -3,-0.3 -1,-0.2 -0.871 39.9-120.6 -99.4 130.0 -15.3 6.7 15.4 63 63 A P E + J 0 72B 85 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.460 35.6 175.3 -64.8 134.5 -15.7 7.0 19.1 64 64 A V E - J 0 71B 3 7,-2.5 7,-2.9 -49,-0.1 2,-0.5 -0.900 18.6-151.9-142.6 116.8 -13.0 5.0 21.0 65 65 A E E +EJ 14 70B 89 -51,-2.6 -51,-2.2 -2,-0.3 2,-0.4 -0.811 18.5 179.7 -92.9 129.0 -12.7 5.1 24.8 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-1.7 -2,-0.5 -53,-0.2 -0.981 66.8 -20.2-135.4 116.2 -9.2 4.5 26.1 67 67 A L T 3 S- 0 0 73 -55,-0.9 3,-0.1 -2,-0.4 -54,-0.1 0.770 130.0 -50.2 57.6 22.3 -8.1 4.5 29.8 68 68 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.649 116.4 114.8 88.2 13.8 -11.3 6.5 30.5 69 69 A H E < - J 0 66B 75 -3,-1.7 -3,-3.2 -5,-0.0 2,-0.8 -0.965 60.9-135.7-112.2 141.6 -10.7 9.1 27.8 70 70 A K E - J 0 65B 85 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.815 23.8-178.8-101.0 107.4 -13.0 9.4 24.9 71 71 A A E - J 0 64B 1 -7,-2.9 -7,-2.5 -2,-0.8 2,-0.4 -0.701 12.6-160.8 -91.8 155.1 -11.3 9.9 21.5 72 72 A I E + J 0 63B 94 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.913 44.4 104.8-134.4 112.1 -13.2 10.4 18.3 73 73 A G E - J 0 62B 9 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.2 -0.918 65.3 -38.5-169.2-175.1 -11.0 9.6 15.3 74 74 A T E - 0 0 43 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.470 42.5-172.8 -73.6 129.5 -9.9 7.4 12.4 75 75 A V E - J 0 59B 0 -16,-3.1 -16,-3.1 -2,-0.2 2,-0.4 -0.985 8.7-156.1-122.2 128.4 -9.7 3.6 12.9 76 76 A L E -gJ 32 58B 0 -45,-2.6 -43,-3.4 -2,-0.4 2,-0.5 -0.903 9.4-158.0 -99.9 135.4 -8.2 1.2 10.3 77 77 A V E +gJ 33 57B 1 -20,-2.6 -20,-2.4 -2,-0.4 -43,-0.2 -0.965 36.6 95.5-116.7 129.7 -9.4 -2.4 10.4 78 78 A G S S- 0 0 1 -45,-2.5 2,-1.9 -2,-0.5 -43,-0.5 -0.967 77.9 -32.5 179.3-162.1 -7.4 -5.2 8.8 79 79 A P + 0 0 89 0, 0.0 74,-0.4 0, 0.0 -45,-0.1 -0.109 69.9 145.7 -78.8 42.8 -4.9 -8.1 9.3 80 80 A T - 0 0 9 -2,-1.9 -45,-0.2 -47,-0.3 -2,-0.1 -0.557 51.9-135.1 -72.4 144.1 -2.8 -6.6 12.0 81 81 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.556 88.7 20.6 -71.8 -15.1 -1.4 -9.2 14.5 82 82 A V S S- 0 0 31 -50,-0.1 2,-0.3 -59,-0.0 -60,-0.1 -0.989 90.0 -99.1-150.6 149.1 -2.4 -6.9 17.4 83 83 A N - 0 0 7 -62,-0.4 -60,-2.7 -2,-0.3 2,-0.5 -0.586 44.9-158.2 -68.7 136.3 -4.8 -4.0 18.0 84 84 A I E -fH 23 32B 0 -52,-2.1 -52,-2.0 -2,-0.3 2,-0.8 -0.954 18.2-158.5-130.5 118.5 -2.8 -0.8 17.8 85 85 A I E -f 24 0B 0 -62,-2.7 -60,-2.8 -2,-0.5 -57,-0.2 -0.812 28.0-167.6 -93.0 108.7 -3.5 2.6 19.2 86 86 A G >> - 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