==== 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 17-APR-12 4EQ0 . COMPND 2 MOLECULE: PROTEASE, TETHERED DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL . 205 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 35.6 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 2.9 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 . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 1 1 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 0 121 0, 0.0 198,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.4 12.0 15.9 29.3 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.994 360.0-157.2-136.1 138.7 8.8 15.4 27.5 3 3 A I E -A 197 0A 33 194,-3.6 194,-2.4 -2,-0.4 0, 0.0 -0.966 15.9-137.5-124.0 121.2 8.2 14.4 23.9 4 4 A T - 0 0 68 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.179 3.6-145.3 -71.5 157.5 5.0 15.2 22.1 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 -1,-0.1 0.263 74.4 102.0-109.9 14.6 3.1 12.7 19.8 6 6 A W S S+ 0 0 198 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.884 94.6 24.0 -59.8 -38.5 1.8 15.3 17.3 7 7 A K S S- 0 0 61 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.753 112.1 -69.7-117.6 166.1 4.6 14.1 15.0 8 8 A R - 0 0 111 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.374 52.6-118.3 -51.0 129.6 6.6 10.8 14.7 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.484 50.5 169.7 -78.0 72.3 8.9 10.7 17.9 10 10 A L E +D 23 0B 64 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.697 8.5 175.6 -90.0 136.5 12.1 10.7 15.9 11 11 A V E -D 22 0B 11 11,-2.7 11,-3.5 -2,-0.4 2,-0.4 -0.969 32.7-116.0-137.1 148.9 15.4 11.1 17.7 12 12 A T E -D 21 0B 99 -2,-0.3 55,-0.7 9,-0.3 2,-0.3 -0.725 36.5-171.4 -81.7 133.0 19.0 11.0 16.6 13 13 A I E -DE 20 66B 5 7,-4.4 7,-3.0 -2,-0.4 2,-0.4 -0.871 11.4-143.1-117.1 162.7 20.9 8.2 18.1 14 14 A R E -DE 19 65B 125 51,-1.7 51,-2.5 -2,-0.3 2,-0.4 -0.995 14.2-179.0-127.7 133.6 24.6 7.4 18.0 15 15 A I E > S-D 18 0B 15 3,-2.9 3,-3.1 -2,-0.4 49,-0.1 -0.994 77.7 -28.3-126.3 121.9 26.2 4.0 17.9 16 16 A G T 3 S- 0 0 75 -2,-0.4 3,-0.1 47,-0.4 -1,-0.1 0.855 127.7 -44.8 38.2 55.4 30.0 3.9 17.9 17 17 A G T 3 S+ 0 0 72 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.586 113.1 121.1 68.2 10.0 30.2 7.3 16.2 18 18 A Q E < -D 15 0B 46 -3,-3.1 -3,-2.9 2,-0.0 2,-0.5 -0.934 52.2-151.8-100.9 126.6 27.5 6.5 13.7 19 19 A L E +D 14 0B 91 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.896 22.2 168.4-105.9 124.3 24.6 9.0 14.0 20 20 A K E -D 13 0B 35 -7,-3.0 -7,-4.4 -2,-0.5 2,-0.4 -0.963 35.9-118.7-136.4 148.1 21.2 7.7 12.9 21 21 A E E -D 12 0B 116 -2,-0.3 62,-0.8 -9,-0.3 2,-0.3 -0.727 38.8-176.3 -83.0 137.0 17.6 8.9 13.2 22 22 A A E -Df 11 83B 0 -11,-3.5 -11,-2.7 -2,-0.4 2,-0.5 -0.996 24.1-124.5-141.2 146.8 15.4 6.4 15.2 23 23 A L E -Df 10 84B 5 60,-3.6 62,-3.2 -2,-0.3 2,-0.8 -0.749 20.6-130.8 -93.5 125.7 11.7 6.2 16.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.656 35.4-172.5 -74.1 108.3 10.8 5.9 19.8 25 25 A N > + 0 0 0 60,-3.0 3,-1.6 -2,-0.8 62,-0.4 -0.828 29.7 176.6-122.0 95.9 8.4 2.9 19.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 86.0 64.3 -65.8 -18.0 6.4 1.7 22.6 27 27 A G T 3 S+ 0 0 3 177,-0.3 177,-1.6 81,-0.1 2,-0.5 0.359 89.4 81.7 -83.9 4.5 4.8 -0.9 20.3 28 28 A S B < -L 203 0C 0 -3,-1.6 59,-2.9 175,-0.3 175,-0.3 -0.947 59.8-160.4-117.7 125.2 8.1 -2.7 19.7 29 29 A D S S+ 0 0 18 173,-2.4 59,-1.6 -2,-0.5 2,-0.2 0.892 80.5 31.3 -63.3 -38.4 9.6 -5.3 22.1 30 30 A F S S- 0 0 61 172,-0.2 2,-0.5 57,-0.2 57,-0.2 -0.684 82.6-104.8-126.5 169.7 13.0 -4.7 20.6 31 31 A T - 0 0 0 43,-0.5 45,-3.0 -2,-0.2 2,-0.5 -0.805 32.3-171.8 -99.0 128.7 15.3 -2.3 18.9 32 32 A V E -gH 76 84B 1 52,-2.0 52,-3.2 -2,-0.5 2,-0.4 -0.986 2.3-168.6-130.5 115.5 15.7 -2.7 15.2 33 33 A L E -g 77 0B 2 43,-3.1 45,-1.8 -2,-0.5 3,-0.2 -0.864 28.5-104.1-110.8 143.2 18.3 -0.7 13.3 34 34 A E - 0 0 89 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.102 67.4 -57.0 -52.9 158.7 18.7 -0.4 9.6 35 35 A E S S+ 0 0 90 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.160 78.7 142.3 -48.4 124.8 21.5 -2.3 8.0 36 36 A M - 0 0 44 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.966 52.8-100.8-156.2 159.3 24.8 -1.4 9.5 37 37 A N - 0 0 159 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.758 40.0-179.9 -85.4 130.7 28.0 -3.1 10.5 38 38 A L - 0 0 19 -2,-0.5 2,-0.1 2,-0.1 -2,-0.0 -0.971 28.3-111.1-125.8 149.7 28.3 -3.9 14.2 39 39 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.473 70.7 24.1 -74.5 145.5 31.2 -5.6 15.9 40 40 A G S S- 0 0 60 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.239 92.3 -28.9 107.5 177.5 30.9 -9.0 17.4 41 41 A K + 0 0 96 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.323 54.7 178.6 -64.6 150.2 28.9 -12.2 17.2 42 42 A W - 0 0 135 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.980 16.2-148.0-148.4 158.1 25.3 -12.3 16.0 43 43 A K E -I 58 0B 121 15,-1.3 15,-3.1 -2,-0.3 2,-0.1 -0.948 27.4-106.6-125.2 150.5 22.6 -14.8 15.4 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.468 43.0 170.5 -73.0 148.9 19.7 -14.8 12.9 45 45 A K E -I 56 0B 56 11,-2.2 11,-3.0 -2,-0.1 2,-0.4 -0.964 28.4-130.7-152.3 157.3 16.3 -14.2 14.2 46 46 A M E -I 55 0B 98 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.966 22.0-170.0-116.6 134.1 12.8 -13.5 12.7 47 47 A I E -I 54 0B 8 7,-2.3 7,-2.2 -2,-0.4 2,-0.3 -0.961 10.5-140.8-125.0 145.2 10.7 -10.6 13.9 48 48 A R E +Ij 53 202B 93 153,-2.3 155,-2.9 -2,-0.4 2,-0.3 -0.756 30.6 137.3-108.4 150.8 7.0 -9.8 13.2 49 49 A G E > -I 52 0B 6 3,-2.3 3,-1.8 -2,-0.3 155,-0.1 -0.896 65.2 -34.2-158.7-164.4 4.9 -6.8 12.4 50 50 A I T 3 S+ 0 0 2 155,-0.3 100,-2.5 -2,-0.3 130,-0.1 -0.440 129.8 25.6 -61.1 128.8 2.2 -5.7 10.1 51 51 A G T 3 S- 0 0 42 128,-0.5 2,-0.4 98,-0.3 -1,-0.2 0.011 122.1 -79.6 106.1 -25.4 2.8 -7.5 6.8 52 52 A G E < -I 49 0B 27 -3,-1.8 -3,-2.3 2,-0.0 2,-0.3 -0.994 67.9 -31.6 134.9-142.3 4.7 -10.5 8.1 53 53 A F E -I 48 0B 110 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.852 35.6-159.2-123.2 151.6 8.3 -11.2 9.3 54 54 A I E -I 47 0B 30 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.991 23.9-121.5-128.1 148.1 11.7 -10.1 8.5 55 55 A K E +I 46 0B 145 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.680 38.9 173.4 -83.6 130.0 15.0 -11.8 9.1 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.5 -0.829 32.9-115.9-130.0 169.7 17.4 -9.8 11.3 57 57 A R E -IK 44 77B 48 20,-2.4 20,-2.9 -2,-0.3 2,-0.7 -0.955 26.9-142.3-107.1 129.4 20.8 -10.3 13.0 58 58 A Q E -IK 43 76B 30 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.4 -0.846 18.8-177.0 -97.9 110.5 20.7 -10.1 16.8 59 59 A Y E - K 0 75B 9 16,-2.9 16,-2.8 -2,-0.7 3,-0.3 -0.911 14.0-148.8-102.3 133.4 23.7 -8.4 18.4 60 60 A D E + 0 0 84 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.640 68.9 18.7 -98.5 158.3 23.9 -8.3 22.2 61 61 A Q E S+ 0 0 141 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.842 75.2 161.9 55.9 45.1 25.4 -5.7 24.5 62 62 A I E - K 0 73B 10 11,-2.8 11,-1.6 -3,-0.3 2,-0.4 -0.858 35.8-132.2 -95.0 121.2 25.5 -2.9 21.9 63 63 A P E + K 0 72B 86 0, 0.0 2,-0.4 0, 0.0 -47,-0.4 -0.634 27.9 178.7 -73.0 129.6 25.9 0.6 23.4 64 64 A V E - K 0 71B 2 7,-3.2 7,-2.9 -2,-0.4 2,-0.5 -0.990 20.0-145.3-130.8 121.5 23.4 3.2 22.0 65 65 A E E -EK 14 70B 70 -51,-2.5 -51,-1.7 -2,-0.4 2,-0.5 -0.790 19.7-174.3 -87.7 129.7 23.3 6.8 23.2 66 66 A I E > -EK 13 69B 0 3,-3.4 3,-1.8 -2,-0.5 -53,-0.1 -0.956 66.0 -30.6-130.3 109.7 19.8 8.1 23.1 67 67 A L T 3 S- 0 0 83 -55,-0.7 -1,-0.1 -2,-0.5 3,-0.1 0.871 128.2 -43.8 49.4 43.1 19.1 11.8 23.9 68 68 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.514 118.1 113.8 82.8 5.4 22.1 11.9 26.2 69 69 A H E < - K 0 66B 64 -3,-1.8 -3,-3.4 2,-0.0 2,-0.7 -0.881 63.1-133.6-107.7 143.5 21.3 8.5 27.9 70 70 A K E - 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