==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 21-OCT-11 3UAQ . COMPND 2 MOLECULE: LBPB B-LOBE; . SOURCE 2 ORGANISM_SCIENTIFIC: MORAXELLA BOVIS; . AUTHOR E ARUTYUNOVA,C.L.BROOKS,A BEDDECK,M.W.MAK,A.B.SCHRYVERS,M.J. . 549 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 9 8 0 4 2 2 4 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 2 0 2 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 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 53 A P 0 0 111 0, 0.0 2,-0.2 0, 0.0 246,-0.1 0.000 360.0 360.0 360.0 66.9 20.5 -5.0 46.8 2 54 A V + 0 0 105 1,-0.1 2,-0.2 2,-0.0 247,-0.1 -0.369 360.0 150.1 -87.2 125.2 20.4 -1.3 46.6 3 55 A L - 0 0 44 -2,-0.2 3,-0.1 1,-0.1 36,-0.1 -0.728 55.0-128.8-134.1 174.1 21.1 0.7 43.4 4 56 A G S S- 0 0 27 34,-0.5 103,-0.7 1,-0.5 2,-0.3 0.662 94.3 -39.0 -86.6 -26.1 20.6 3.7 41.2 5 57 A S E -A 106 0A 0 33,-0.3 33,-2.1 101,-0.2 -1,-0.5 -0.967 56.8-141.5 172.7 154.7 19.9 1.3 38.4 6 58 A V E -AB 105 37A 2 99,-2.0 99,-2.3 -2,-0.3 2,-0.3 -0.899 6.2-159.8-145.2-176.1 20.8 -2.0 36.7 7 59 A L E +AB 104 36A 7 29,-1.6 29,-1.5 -2,-0.3 97,-0.2 -0.975 8.8 173.4-168.4 129.9 21.2 -3.7 33.4 8 60 A A E -A 103 0A 5 95,-2.6 95,-1.8 -2,-0.3 27,-0.1 -0.765 24.4-110.0-140.9-171.1 21.4 -7.1 31.8 9 61 A I - 0 0 53 93,-0.3 93,-0.2 -2,-0.2 25,-0.1 -0.897 20.1-123.0-137.4 150.6 21.5 -9.0 28.5 10 62 A P - 0 0 8 0, 0.0 144,-1.5 0, 0.0 92,-0.1 0.515 44.3-143.6 -84.2 -8.9 19.1 -11.2 26.5 11 63 A K - 0 0 31 90,-0.2 143,-1.2 142,-0.2 2,-0.3 0.471 9.6-137.9 67.3 150.8 21.3 -14.4 26.1 12 64 A R B -E 153 0B 37 141,-0.2 141,-0.2 1,-0.1 115,-0.1 -0.953 2.9-144.4-145.9 165.9 21.5 -16.8 23.2 13 65 A N - 0 0 11 139,-1.4 2,-0.2 -2,-0.3 82,-0.2 0.517 20.2-154.5 -99.9-125.4 21.7 -20.6 22.4 14 66 A Q - 0 0 36 11,-0.3 2,-0.2 80,-0.1 -1,-0.2 -0.680 13.8 -55.5-176.0-122.4 23.6 -22.5 19.8 15 67 A A - 0 0 14 78,-0.2 9,-4.1 -2,-0.2 10,-0.6 -0.697 36.0 -82.4-155.7-176.8 24.0 -25.5 17.6 16 68 A Y E -G 23 0C 95 7,-0.3 2,-0.8 -2,-0.2 7,-0.2 -0.804 16.2-138.0-125.7 142.9 24.3 -29.2 16.8 17 69 A D E >>> -G 22 0C 44 5,-2.9 4,-1.4 -2,-0.3 3,-1.2 -0.811 13.6-165.8-101.7 101.3 27.0 -32.0 16.8 18 70 A K T 345S+ 0 0 178 -2,-0.8 -1,-0.1 1,-0.2 5,-0.1 0.170 85.4 44.0 -74.4 21.0 26.4 -34.1 13.7 19 71 A K T 345S+ 0 0 176 -2,-0.2 -1,-0.2 3,-0.2 -2,-0.0 0.422 119.3 34.3-146.3 -9.3 28.7 -36.9 15.1 20 72 A K T <45S- 0 0 161 -3,-1.2 -2,-0.2 2,-0.2 3,-0.1 0.250 99.4-127.5-126.8 3.4 27.7 -37.3 18.7 21 73 A L T <5 + 0 0 125 -4,-1.4 2,-0.3 1,-0.2 -3,-0.1 0.774 68.4 118.4 59.1 31.3 24.1 -36.6 18.1 22 74 A T E < -G 17 0C 69 -5,-0.7 -5,-2.9 2,-0.0 2,-0.3 -0.931 65.9-116.8-125.9 151.5 23.9 -33.9 20.8 23 75 A H E -G 16 0C 57 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.2 -0.645 22.0-131.1 -82.0 142.7 23.2 -30.2 20.8 24 76 A L S S+ 0 0 39 -9,-4.1 2,-0.3 -2,-0.3 -8,-0.1 0.819 92.6 16.9 -63.2 -32.8 26.1 -27.9 21.9 25 77 A E + 0 0 59 -10,-0.6 -11,-0.3 1,-0.1 -1,-0.2 -0.949 55.1 167.5-149.1 123.3 23.9 -26.0 24.3 26 78 A E S S+ 0 0 76 -2,-0.3 103,-1.9 1,-0.3 2,-0.4 0.762 71.8 29.7-102.4 -34.2 20.5 -26.9 25.7 27 79 A H E -H 128 0D 80 101,-0.2 -1,-0.3 102,-0.1 101,-0.2 -0.988 49.8-174.8-139.6 124.0 20.0 -24.4 28.4 28 80 A V E -H 127 0D 21 99,-3.1 99,-2.0 -2,-0.4 2,-0.1 -0.878 19.3-169.0-115.9 97.7 21.2 -20.8 29.0 29 81 A P - 0 0 61 0, 0.0 2,-0.2 0, 0.0 239,-0.2 -0.344 29.2-100.7 -73.9 162.5 20.1 -19.7 32.5 30 82 A L - 0 0 13 237,-2.0 2,-0.4 236,-0.2 96,-0.1 -0.510 31.9-145.9 -77.6 155.3 20.4 -16.0 33.5 31 83 A D > - 0 0 81 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.961 10.5-152.5-130.4 116.7 23.4 -15.1 35.7 32 84 A E G > S+ 0 0 111 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.611 96.9 66.4 -62.8 -10.0 23.0 -12.4 38.4 33 85 A N G 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.638 91.7 60.6 -84.7 -15.6 26.7 -11.7 37.9 34 86 A N G < S+ 0 0 89 -3,-2.6 2,-1.3 2,-0.1 -1,-0.2 0.427 77.8 108.3 -86.5 -1.0 26.1 -10.5 34.4 35 87 A I < - 0 0 34 -3,-0.5 -27,-0.2 -4,-0.3 2,-0.1 -0.660 60.8-156.3 -81.9 96.2 23.9 -7.7 35.9 36 88 A T E -B 7 0A 63 -29,-1.5 -29,-1.6 -2,-1.3 2,-0.3 -0.406 11.4-130.0 -66.7 145.7 25.9 -4.6 35.4 37 89 A T E -B 6 0A 56 -31,-0.2 2,-0.5 -2,-0.1 -31,-0.3 -0.768 14.8-140.8 -97.5 147.3 25.1 -1.7 37.8 38 90 A A + 0 0 7 -33,-2.1 -34,-0.5 -2,-0.3 -33,-0.3 -0.931 25.2 173.8-112.1 129.6 24.4 1.8 36.6 39 91 A H S S+ 0 0 170 -2,-0.5 2,-0.3 -35,-0.1 -1,-0.1 0.378 80.2 19.1-107.0 -1.7 25.7 5.0 38.3 40 92 A T S S- 0 0 94 68,-0.0 -1,-0.1 -35,-0.0 -36,-0.0 -0.949 114.0 -52.3-152.3 171.1 24.4 7.1 35.4 41 93 A N - 0 0 43 -2,-0.3 4,-0.5 1,-0.2 -2,-0.1 -0.325 50.5-163.1 -51.0 110.3 22.0 6.9 32.5 42 94 A P > + 0 0 10 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.522 69.4 84.4 -79.2 -11.2 23.2 3.6 30.8 43 95 A L H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.891 84.7 53.6 -68.6 -43.7 21.5 4.3 27.4 44 96 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.977 113.1 46.9 -44.8 -58.5 24.2 6.4 25.9 45 97 A A H > S+ 0 0 57 -4,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.873 115.0 44.0 -50.2 -48.7 26.7 3.6 26.7 46 98 A L H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.897 112.3 51.1 -71.4 -40.4 24.5 0.8 25.3 47 99 A T H X S+ 0 0 29 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.890 111.8 49.2 -61.4 -39.6 23.5 2.7 22.2 48 100 A K H X S+ 0 0 115 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.927 109.0 53.0 -65.9 -45.7 27.2 3.3 21.6 49 101 A E H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 3,-0.4 0.954 112.8 42.0 -50.2 -58.3 27.9 -0.4 22.2 50 102 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 7,-0.3 0.828 111.6 56.9 -65.6 -30.7 25.4 -1.6 19.6 51 103 A Q H < S+ 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 113.2 40.8 -65.0 -36.5 26.5 1.2 17.2 52 104 A E H < S+ 0 0 127 -4,-2.1 3,-0.4 -3,-0.4 -2,-0.2 0.879 121.8 38.2 -79.5 -40.6 30.1 -0.1 17.4 53 105 A R H < S+ 0 0 111 -4,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.744 125.8 36.2 -86.7 -25.6 29.4 -3.9 17.3 54 106 A Y S >< S- 0 0 42 -4,-2.0 3,-2.0 -5,-0.3 -1,-0.3 -0.724 84.2-166.8-128.6 80.2 26.5 -3.8 14.8 55 107 A E T 3 S+ 0 0 178 -2,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.774 76.4 15.1 -48.0 -65.0 27.7 -1.0 12.6 56 108 A G T 3 S+ 0 0 79 -4,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.076 95.0 138.7-101.3 32.9 24.8 0.1 10.4 57 109 A G < - 0 0 30 -3,-2.0 2,-0.3 -7,-0.3 -3,-0.1 -0.633 56.2-121.6 -86.3 133.9 22.2 -1.7 12.5 58 110 A K - 0 0 138 -2,-0.3 2,-0.5 19,-0.1 19,-0.4 -0.573 28.3-142.2 -72.7 129.8 18.9 -0.1 13.3 59 111 A I - 0 0 26 -2,-0.3 2,-0.4 17,-0.1 17,-0.2 -0.838 12.8-164.4-102.3 126.0 18.4 0.3 17.1 60 112 A Y E +C 75 0A 76 15,-2.7 15,-2.7 -2,-0.5 2,-0.3 -0.881 17.2 165.5-107.7 141.2 15.0 -0.3 18.8 61 113 A Q E -C 74 0A 86 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.971 38.4 -83.4-152.0 161.1 14.4 0.9 22.3 62 114 A S - 0 0 10 11,-2.0 2,-0.2 -2,-0.3 10,-0.1 -0.269 51.6 -99.0 -67.7 151.2 11.6 1.6 24.8 63 115 A D - 0 0 72 1,-0.1 2,-1.5 2,-0.0 -1,-0.1 -0.521 28.6-129.2 -72.2 135.7 9.7 4.9 24.8 64 116 A D + 0 0 47 -2,-0.2 -1,-0.1 1,-0.2 6,-0.1 -0.626 51.9 144.9 -89.1 83.6 10.9 7.4 27.4 65 117 A K + 0 0 104 -2,-1.5 2,-0.3 454,-0.1 -1,-0.2 0.181 42.6 80.3-114.8 18.3 7.6 8.3 29.0 66 118 A Y - 0 0 25 3,-0.4 210,-0.0 1,-0.1 191,-0.0 -0.762 69.3-135.4-113.8 169.3 8.6 8.8 32.7 67 119 A K S S+ 0 0 78 -2,-0.3 -1,-0.1 189,-0.0 185,-0.1 0.855 95.8 5.2 -95.4 -40.6 10.1 11.9 34.2 68 120 A F S S+ 0 0 41 183,-0.1 40,-2.2 190,-0.0 2,-0.3 0.551 120.5 74.7-113.5 -18.7 12.9 10.7 36.5 69 121 A V E - D 0 107A 1 38,-0.2 -3,-0.4 182,-0.1 2,-0.4 -0.715 49.3-173.6-115.6 146.6 12.7 7.0 35.7 70 122 A K E + D 0 106A 40 36,-2.8 36,-2.4 -2,-0.3 2,-0.3 -0.989 13.3 156.9-131.0 143.9 13.6 4.6 32.9 71 123 A A E + D 0 105A 5 -2,-0.4 2,-0.3 34,-0.2 34,-0.2 -0.847 34.0 67.5-162.7 131.6 12.9 0.9 32.5 72 124 A G E - D 0 104A 0 32,-2.3 32,-2.6 -2,-0.3 2,-0.3 -0.957 66.7 -65.8 163.9-140.9 12.8 -1.2 29.3 73 125 A W E - D 0 103A 4 -2,-0.3 -11,-2.0 30,-0.3 2,-0.3 -0.831 20.4-163.8-139.8 175.5 15.0 -2.6 26.6 74 126 A I E +CD 61 102A 0 28,-1.7 28,-2.1 -2,-0.3 2,-0.3 -0.826 24.5 154.9-165.8 128.6 17.2 -1.7 23.7 75 127 A F E -CD 60 101A 9 -15,-2.7 -15,-2.7 -2,-0.3 2,-0.3 -0.980 34.0-143.2-153.4 159.1 18.4 -4.0 20.9 76 128 A T E S- D 0 100A 6 24,-2.5 24,-1.2 -2,-0.3 2,-0.5 -0.947 72.7 -3.7-123.7 155.2 19.7 -4.5 17.4 77 129 A G + 0 0 12 -19,-0.4 22,-0.2 -2,-0.3 -2,-0.1 -0.942 48.0 160.4 94.8-134.2 18.7 -7.6 15.5 78 130 A L + 0 0 10 -2,-0.5 21,-0.1 20,-0.3 -1,-0.1 -0.141 21.1 134.2-116.5 82.1 17.1 -9.7 16.7 79 131 A R > - 0 0 119 19,-0.4 3,-3.2 1,-0.1 19,-0.3 -0.809 37.7-158.3 -96.5 101.3 15.6 -11.7 13.7 80 132 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.676 89.6 67.7 -55.8 -25.4 16.1 -15.4 14.5 81 133 A D T 3 S+ 0 0 127 1,-0.1 2,-0.7 66,-0.1 67,-0.0 0.742 94.0 70.4 -62.9 -21.9 15.8 -16.3 10.8 82 134 A E S < S+ 0 0 80 -3,-3.2 16,-2.1 16,-0.1 2,-0.2 -0.869 73.5 174.8-105.5 108.8 19.1 -14.5 10.6 83 135 A T E -I 97 0E 62 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.609 25.9-143.5-111.7 167.0 21.9 -16.4 12.2 84 136 A I E -I 96 0E 79 12,-1.8 12,-2.5 -2,-0.2 2,-0.4 -0.967 17.0-167.6-134.7 120.1 25.7 -16.1 12.6 85 137 A K E +I 95 0E 134 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.906 12.2 164.7-114.7 131.7 27.9 -19.2 12.5 86 138 A T E +I 94 0E 68 8,-1.3 8,-2.6 -2,-0.4 -2,-0.0 -0.805 51.8 28.7-129.4 171.0 31.6 -19.4 13.6 87 139 A D > + 0 0 69 -2,-0.3 3,-0.8 6,-0.2 -1,-0.1 0.790 59.3 145.7 52.2 42.5 34.2 -22.0 14.4 88 140 A E T 3 + 0 0 97 1,-0.2 -1,-0.2 5,-0.2 -2,-0.0 0.556 67.3 65.9 -88.3 -7.8 32.8 -24.8 12.3 89 141 A D T 3 S+ 0 0 149 3,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.141 104.7 58.0 -92.4 17.4 36.4 -26.0 11.6 90 142 A T S < S- 0 0 62 -3,-0.8 0, 0.0 1,-0.0 0, 0.0 -0.557 95.0 -96.9-131.9-163.1 36.6 -26.8 15.4 91 143 A D S S+ 0 0 138 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.0 0.708 113.5 48.0 -99.1 -28.1 35.1 -28.8 18.2 92 144 A Q S S- 0 0 114 -5,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.787 79.7-175.9-109.8 82.3 32.8 -26.1 19.7 93 145 A P - 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