==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 26-JAN-11 3QI0 . COMPND 2 MOLECULE: BETA-LACTAMASE INHIBITORY PROTEIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES EXFOLIATUS; . AUTHOR N.G.BROWN,D.C.CHOW,B.SANKARAN,P.ZWART,B.V.V.PRASAD,T.PALZKIL . 1611 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 973 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 527 32.7 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 . 78 4.8 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 . 108 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 213 13.2 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+4), 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 . 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 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 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 25 25 32 0 0 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 41 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 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 43 A S 0 0 80 0, 0.0 267,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.7 16.7 1.0 53.6 2 44 A V E -A 267 0A 11 19,-0.3 2,-0.4 265,-0.2 265,-0.2 -0.996 360.0-165.0-135.3 134.1 13.8 2.6 51.6 3 45 A V E -A 266 0A 27 263,-2.5 263,-2.5 -2,-0.4 2,-0.4 -0.984 7.5-174.9-120.4 127.5 13.7 5.2 48.8 4 46 A A E +A 265 0A 26 -2,-0.4 2,-0.3 261,-0.2 261,-0.2 -0.957 15.4 149.0-119.7 139.8 10.5 7.0 47.8 5 47 A W E +A 264 0A 35 259,-2.2 259,-3.9 -2,-0.4 4,-0.0 -0.955 19.3 75.7-157.4 168.2 10.2 9.5 44.9 6 48 A G + 0 0 23 -2,-0.3 3,-0.3 257,-0.3 256,-0.1 0.101 65.6 28.6 104.7 146.4 7.8 10.7 42.2 7 49 A G S S- 0 0 43 255,-0.2 -1,-0.2 1,-0.2 257,-0.0 0.110 96.9 -57.0 68.7-176.0 4.8 13.1 42.1 8 50 A N - 0 0 132 1,-0.1 -1,-0.2 255,-0.0 4,-0.0 0.641 51.6-142.5 -77.2 -18.9 3.8 16.1 44.1 9 51 A N > + 0 0 50 -3,-0.3 3,-1.3 1,-0.1 5,-0.1 0.813 37.7 163.7 53.4 33.2 3.8 14.4 47.5 10 52 A D T 3 S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 22,-0.1 0.596 76.2 30.6 -53.7 -12.2 0.8 16.6 48.3 11 53 A W T 3 S- 0 0 87 20,-0.1 -1,-0.2 36,-0.0 -2,-0.1 0.281 110.8-107.8-133.5 4.1 0.0 14.2 51.3 12 54 A G S X S+ 0 0 20 -3,-1.3 3,-2.7 34,-0.1 -2,-0.1 0.571 74.0 139.3 76.9 7.1 3.4 13.0 52.4 13 55 A E T 3 S+ 0 0 4 1,-0.3 20,-0.1 18,-0.2 -1,-0.1 0.698 77.0 48.0 -56.1 -12.6 2.6 9.6 51.0 14 56 A A T 3 S+ 0 0 17 -5,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.278 85.7 95.5-112.3 10.3 6.2 9.8 49.8 15 57 A T < - 0 0 86 -3,-2.7 19,-0.1 -6,-0.0 31,-0.1 -0.827 68.1-153.4-101.1 94.2 7.8 10.8 53.1 16 58 A V - 0 0 24 -2,-1.0 -12,-0.1 -14,-0.1 -2,-0.1 -0.533 12.0-133.5 -70.8 125.1 8.9 7.5 54.5 17 59 A P > - 0 0 33 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.292 20.6-107.1 -75.2 166.9 9.0 7.7 58.4 18 60 A A G > S+ 0 0 86 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.848 115.2 56.1 -63.8 -40.3 11.9 6.3 60.4 19 61 A E G 3 S+ 0 0 98 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.813 110.7 49.7 -67.9 -21.6 10.2 3.2 61.9 20 62 A A G < S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.188 87.6 92.7 -93.4 13.6 9.6 2.3 58.3 21 63 A Q S < S+ 0 0 65 -3,-2.2 -19,-0.3 1,-0.2 2,-0.3 0.697 90.7 12.0 -88.1 -20.1 13.2 2.9 57.2 22 64 A S S S+ 0 0 67 -3,-0.4 -1,-0.2 -4,-0.3 3,-0.1 -0.994 110.5 35.6-156.2 161.2 14.7 -0.5 57.6 23 65 A G S S+ 0 0 55 -2,-0.3 16,-0.5 1,-0.3 2,-0.4 0.642 76.4 153.4 65.5 14.8 13.9 -4.2 58.1 24 66 A V - 0 0 19 1,-0.1 -1,-0.3 14,-0.1 14,-0.2 -0.651 29.8-171.2 -75.1 125.5 10.8 -3.4 55.9 25 67 A D + 0 0 78 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.751 67.2 2.2 -86.3 -28.4 9.7 -6.6 54.1 26 68 A A E -C 37 0B 28 11,-1.1 11,-3.0 2,-0.0 2,-0.3 -0.993 56.3-154.7-159.4 149.8 7.1 -4.9 51.9 27 69 A I E -C 36 0B 9 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.949 5.6-169.6-123.8 150.1 5.7 -1.5 50.9 28 70 A A E -C 35 0B 2 7,-2.7 7,-3.0 -2,-0.3 2,-0.6 -0.981 11.0-152.6-138.8 128.7 2.3 -0.6 49.4 29 71 A G E -C 34 0B 5 -2,-0.3 39,-0.3 5,-0.2 5,-0.2 -0.878 12.8-178.2-111.0 124.1 1.5 2.8 48.1 30 72 A G - 0 0 1 3,-3.0 232,-0.2 -2,-0.6 233,-0.2 -0.463 43.8 -96.4-104.0-174.8 -2.0 4.3 48.0 31 73 A Y S S+ 0 0 54 38,-0.9 -18,-0.2 1,-0.2 39,-0.1 0.943 119.8 15.1 -73.6 -49.6 -3.1 7.6 46.7 32 74 A F S S+ 0 0 32 38,-0.5 15,-2.5 37,-0.3 2,-0.3 0.351 130.4 33.1-102.6 -0.3 -3.1 9.5 50.0 33 75 A H E - D 0 46B 0 13,-0.2 -3,-3.0 36,-0.2 2,-0.3 -0.967 61.2-136.1-154.7 161.4 -1.1 7.0 52.1 34 76 A G E -CD 29 45B 0 11,-2.7 11,-1.7 -2,-0.3 2,-0.4 -0.911 13.7-157.4-122.6 152.5 1.7 4.4 52.3 35 77 A L E -CD 28 44B 0 -7,-3.0 -7,-2.7 -2,-0.3 2,-0.3 -0.970 6.9-169.9-123.7 143.4 1.8 1.1 54.0 36 78 A A E -CD 27 43B 0 7,-2.6 7,-2.7 -2,-0.4 2,-0.5 -0.972 15.0-142.7-127.9 154.2 4.8 -0.9 55.1 37 79 A L E +CD 26 42B 9 -11,-3.0 -12,-3.3 -2,-0.3 -11,-1.1 -0.949 25.4 170.8-116.1 115.7 5.2 -4.5 56.4 38 80 A K E > - D 0 41B 75 3,-3.1 3,-1.9 -2,-0.5 -14,-0.1 -0.949 68.6 -27.9-134.7 113.8 7.8 -5.0 59.2 39 81 A G T 3 S- 0 0 30 -16,-0.5 23,-0.3 -2,-0.5 -1,-0.1 0.898 126.5 -47.2 47.4 48.8 8.2 -8.2 61.1 40 82 A G T 3 S+ 0 0 15 1,-0.2 23,-2.1 23,-0.2 2,-0.4 0.389 117.4 113.4 80.3 -3.0 4.5 -9.0 60.6 41 83 A K E < -D 38 0B 92 -3,-1.9 -3,-3.1 20,-0.2 2,-0.5 -0.851 61.0-135.6-109.9 139.8 3.3 -5.5 61.6 42 84 A V E -D 37 0B 1 17,-1.9 2,-0.3 -2,-0.4 -5,-0.2 -0.801 23.4-175.4 -94.9 125.9 1.6 -3.0 59.3 43 85 A L E -D 36 0B 17 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.3 -0.878 3.5-169.9-116.2 156.1 2.8 0.6 59.5 44 86 A G E -D 35 0B 23 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.959 12.6-179.5-144.3 161.4 1.4 3.6 57.7 45 87 A W E +D 34 0B 18 -11,-1.7 -11,-2.7 -2,-0.3 2,-0.3 -0.964 43.2 56.9-152.1 163.8 2.1 7.2 56.8 46 88 A G E S-D 33 0B 34 -2,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.762 93.1 -21.8 112.8-156.8 0.3 10.0 54.9 47 89 A A - 0 0 23 -15,-2.5 2,-2.3 -2,-0.3 3,-0.3 -0.826 45.6-148.8-100.5 117.4 -3.2 11.5 55.2 48 90 A N > + 0 0 71 -2,-0.6 3,-0.5 1,-0.2 -1,-0.1 -0.295 40.9 150.8 -75.7 56.8 -5.8 9.4 56.9 49 91 A L T 3 S+ 0 0 104 -2,-2.3 -1,-0.2 1,-0.2 22,-0.1 0.818 76.6 18.8 -60.1 -31.5 -8.6 10.8 54.8 50 92 A N T 3 S- 0 0 43 -3,-0.3 -1,-0.2 36,-0.1 35,-0.1 0.235 118.9 -85.6-130.3 9.0 -10.8 7.8 54.9 51 93 A G S X S+ 0 0 24 -3,-0.5 3,-2.1 34,-0.1 34,-0.2 0.386 87.6 129.7 96.6 -4.7 -9.7 5.7 57.8 52 94 A Q T 3 S+ 0 0 0 1,-0.3 -4,-0.1 19,-0.2 32,-0.1 0.650 75.5 46.8 -64.2 -13.4 -7.0 3.9 55.8 53 95 A L T 3 S+ 0 0 28 2,-0.1 2,-1.3 -9,-0.1 -1,-0.3 0.378 83.3 99.3-106.6 2.3 -4.4 4.7 58.4 54 96 A T S < S- 0 0 93 -3,-2.1 31,-0.1 -6,-0.0 -1,-0.1 -0.740 74.5-145.1 -84.9 95.7 -6.5 3.6 61.4 55 97 A M - 0 0 42 -2,-1.3 2,-0.1 1,-0.1 -2,-0.1 -0.376 5.0-126.4 -73.1 126.9 -4.9 0.2 61.7 56 98 A P > - 0 0 37 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.434 24.1-118.6 -64.9 144.1 -7.1 -2.8 62.8 57 99 A A G > S+ 0 0 90 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.888 112.5 64.7 -52.6 -42.7 -5.7 -4.6 65.8 58 100 A A G > S+ 0 0 47 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.687 95.2 61.0 -52.0 -19.1 -5.4 -7.8 63.8 59 101 A T G < S+ 0 0 0 -3,-2.4 -17,-1.9 1,-0.2 -1,-0.3 0.403 79.9 84.3 -92.9 1.1 -2.8 -6.0 61.5 60 102 A Q G < S+ 0 0 73 -3,-1.9 2,-0.3 -19,-0.2 -1,-0.2 0.470 102.1 13.0 -86.9 0.6 -0.3 -5.4 64.3 61 103 A S S < S+ 0 0 75 -3,-0.6 -1,-0.2 -4,-0.2 -20,-0.2 -0.926 114.6 23.1-168.0 152.0 1.2 -8.8 64.0 62 104 A G + 0 0 24 -23,-0.3 16,-0.4 -2,-0.3 2,-0.3 0.677 69.7 152.1 71.8 22.3 1.4 -11.9 61.8 63 105 A V - 0 0 6 -23,-2.1 -1,-0.3 -4,-0.2 14,-0.2 -0.695 27.2-169.5 -83.9 137.6 0.4 -10.1 58.6 64 106 A D + 0 0 51 12,-2.9 2,-0.3 -2,-0.3 13,-0.2 0.733 62.8 5.7 -94.9 -27.6 1.8 -11.8 55.4 65 107 A A E -E 76 0C 29 11,-1.2 11,-2.4 -25,-0.1 2,-0.3 -0.992 56.8-153.6-160.3 154.1 1.1 -9.2 52.7 66 108 A I E +E 75 0C 21 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.908 8.4 178.0-133.4 159.3 -0.3 -5.7 52.0 67 109 A A E -E 74 0C 9 7,-2.2 7,-2.5 -2,-0.3 2,-0.3 -0.963 11.6-154.9-149.0 164.1 -2.0 -3.6 49.3 68 110 A A E +E 73 0C 15 -2,-0.3 5,-0.2 -39,-0.3 39,-0.2 -0.996 10.5 177.7-148.4 139.6 -3.3 -0.1 49.1 69 111 A G - 0 0 3 3,-2.9 -38,-0.9 -2,-0.3 -37,-0.3 -0.421 51.9 -75.3-120.3-163.6 -5.9 1.7 47.0 70 112 A N S S+ 0 0 16 39,-2.1 -38,-0.5 38,-0.3 40,-0.1 0.891 125.2 6.3 -68.2 -39.8 -7.2 5.2 46.9 71 113 A Y S S+ 0 0 64 38,-0.6 15,-3.4 15,-0.1 2,-0.3 0.397 123.7 58.6-121.0 -5.1 -9.3 5.1 50.0 72 114 A H E - F 0 85C 0 13,-0.3 -3,-2.9 37,-0.2 2,-0.3 -0.850 55.6-145.5-136.5 164.6 -8.5 1.7 51.4 73 115 A S E -EF 68 84C 0 11,-2.9 11,-2.1 -2,-0.3 2,-0.4 -0.952 14.9-159.8-124.4 147.7 -5.9 -0.6 52.8 74 116 A L E -EF 67 83C 0 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.3 -0.985 7.6-177.8-131.6 144.5 -5.7 -4.4 52.5 75 117 A A E -EF 66 82C 0 7,-2.7 7,-3.4 -2,-0.4 2,-0.5 -0.992 16.1-147.5-138.6 141.2 -3.8 -7.0 54.5 76 118 A L E +EF 65 81C 8 -11,-2.4 -12,-2.9 -2,-0.3 -11,-1.2 -0.957 22.8 175.2-111.4 120.4 -3.5 -10.8 54.1 77 119 A K E > - F 0 80C 49 3,-3.4 3,-2.8 -2,-0.5 -14,-0.2 -0.970 65.0 -26.4-134.0 118.1 -3.1 -12.7 57.4 78 120 A D T 3 S- 0 0 37 -2,-0.4 23,-0.2 -16,-0.4 -1,-0.1 0.904 128.1 -46.7 46.7 49.0 -3.1 -16.5 57.7 79 121 A G T 3 S+ 0 0 6 1,-0.2 23,-2.0 21,-0.2 2,-0.4 0.405 117.3 114.3 80.3 -2.9 -5.1 -16.8 54.6 80 122 A E E < -F 77 0C 82 -3,-2.8 -3,-3.4 21,-0.1 2,-0.5 -0.847 59.8-137.4-105.2 138.5 -7.6 -14.1 55.6 81 123 A V E -F 76 0C 1 17,-1.6 2,-0.4 -2,-0.4 -5,-0.2 -0.822 19.6-168.4 -93.4 125.4 -8.1 -10.8 53.8 82 124 A I E -F 75 0C 19 -7,-3.4 -7,-2.7 -2,-0.5 2,-0.4 -0.954 6.7-174.2-112.4 135.5 -8.5 -7.8 56.1 83 125 A A E +F 74 0C 19 -2,-0.4 2,-0.3 9,-0.2 -9,-0.2 -0.986 7.8 165.6-137.3 141.3 -9.6 -4.5 54.7 84 126 A W E +F 73 0C 17 -11,-2.1 -11,-2.9 -2,-0.4 2,-0.3 -0.969 34.6 51.8-152.4 164.6 -10.1 -1.0 56.1 85 127 A G E S+F 72 0C 23 -2,-0.3 -13,-0.3 -13,-0.2 -34,-0.1 -0.829 93.4 10.4 108.3-151.2 -10.6 2.6 55.1 86 128 A G - 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