==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 04-MAR-04 1SJV . COMPND 2 MOLECULE: R9; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMA GLAMA; . AUTHOR S.SPINELLI,A.DESMYTER,L.FRENKEN,T.VERRIPS,C.CAMBILLAU . 102 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 51.0 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 . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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-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 . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A G 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-151.2 23.4 91.9 37.9 2 9 A G - 0 0 84 79,-0.1 2,-0.3 2,-0.0 79,-0.0 -0.993 360.0-159.7-166.6 167.0 22.2 88.4 37.5 3 10 A G - 0 0 64 -2,-0.3 2,-0.5 2,-0.0 8,-0.0 -0.990 10.8-148.1-153.4 151.9 20.1 85.5 38.8 4 11 A L - 0 0 166 -2,-0.3 2,-0.4 75,-0.0 -2,-0.0 -0.998 23.4-178.0-119.8 126.7 19.9 81.8 38.5 5 12 A V - 0 0 48 -2,-0.5 2,-0.2 4,-0.1 3,-0.1 -0.929 32.2-105.9-121.9 151.9 16.5 80.2 38.7 6 13 A Q > - 0 0 133 -2,-0.4 3,-2.0 1,-0.1 68,-0.2 -0.487 52.7 -91.4 -65.0 140.7 15.3 76.7 38.7 7 14 A A T 3 S+ 0 0 58 1,-0.2 68,-0.2 -2,-0.2 -1,-0.1 -0.318 114.9 32.2 -54.4 133.9 13.6 75.7 35.3 8 15 A G T 3 S+ 0 0 48 66,-2.5 65,-0.8 1,-0.4 -1,-0.2 0.063 96.4 109.1 103.6 -23.0 9.9 76.4 35.6 9 16 A E < - 0 0 98 -3,-2.0 65,-1.9 63,-0.2 -1,-0.4 -0.236 64.3-115.8 -82.3 173.1 10.1 79.3 37.9 10 17 A S - 0 0 55 62,-0.2 2,-0.3 63,-0.2 62,-0.2 -0.743 21.5-172.5-110.2 157.4 9.5 83.0 37.2 11 18 A L E -A 71 0A 62 60,-2.0 60,-3.0 -2,-0.3 2,-0.5 -0.978 12.3-149.4-148.1 135.7 11.6 86.1 37.2 12 19 A K E -A 70 0A 134 -2,-0.3 2,-0.3 58,-0.2 58,-0.2 -0.949 13.7-166.9-111.1 122.3 10.5 89.7 36.7 13 20 A L E -A 69 0A 40 56,-2.7 56,-2.4 -2,-0.5 2,-0.3 -0.767 6.0-171.2-101.5 150.6 12.9 92.1 35.1 14 21 A S E -A 68 0A 79 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.981 12.9-167.4-140.7 156.6 12.5 95.8 35.1 15 22 A a E -A 67 0A 24 52,-1.5 52,-1.3 -2,-0.3 2,-0.3 -0.968 10.3-158.4-142.8 123.3 14.1 98.9 33.5 16 23 A A 0 0 74 -2,-0.3 50,-0.2 50,-0.2 49,-0.2 -0.777 360.0 360.0-102.5 151.0 13.5 102.5 34.5 17 24 A A 0 0 106 47,-0.7 50,-0.1 -2,-0.3 -2,-0.0 -0.211 360.0 360.0 53.2 360.0 14.1 105.6 32.3 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 26 A S 0 0 119 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.9 8.4 110.7 24.9 20 27 A G + 0 0 39 1,-0.1 3,-0.1 42,-0.1 68,-0.1 -0.640 360.0 151.9 -92.3 110.2 8.3 106.9 24.7 21 28 A G + 0 0 29 -2,-0.7 67,-0.1 66,-0.4 -1,-0.1 0.472 59.9 11.1 -89.8-124.9 8.1 105.0 21.4 22 29 A F + 0 0 57 65,-0.4 65,-1.2 19,-0.1 2,-0.4 -0.339 66.8 177.7 -63.1 132.2 9.4 101.5 20.7 23 30 A M E +CD 40 86B 26 17,-1.4 17,-2.6 63,-0.2 2,-0.3 -0.996 9.5 147.7-138.0 139.3 10.4 99.6 23.8 24 31 A G E -CD 39 85B 1 61,-2.6 61,-2.6 -2,-0.4 2,-0.4 -0.984 40.4-115.7-163.7 171.8 11.6 96.1 24.1 25 32 A W E -CD 38 84B 7 13,-2.5 12,-3.2 -2,-0.3 13,-1.4 -0.966 28.2-177.5-116.6 133.6 13.7 93.4 25.6 26 33 A Y E -CD 36 83B 46 57,-2.6 57,-2.7 -2,-0.4 2,-0.3 -0.839 7.6-156.3-117.4 162.8 16.5 91.6 23.8 27 34 A R E -CD 35 82B 9 8,-2.5 8,-2.7 -2,-0.3 2,-0.4 -0.980 5.9-165.8-138.5 155.6 18.7 88.8 24.9 28 35 A Q E - D 0 81B 81 53,-2.0 53,-2.7 -2,-0.3 6,-0.1 -0.957 3.1-163.7-142.3 123.2 22.1 87.5 24.0 29 36 A A > - 0 0 19 -2,-0.4 3,-2.1 4,-0.4 51,-0.1 -0.759 46.3 -82.5 -96.1 148.8 23.6 84.2 24.9 30 37 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.236 115.0 10.6 -54.3 134.7 27.5 83.8 24.5 31 38 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.470 112.8 96.3 75.5 3.0 28.5 83.0 20.9 32 39 A K S < S- 0 0 147 -3,-2.1 -1,-0.2 3,-0.0 2,-0.1 -0.808 78.2-103.2-120.1 161.9 25.0 83.7 19.5 33 40 A Q - 0 0 146 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.488 48.3 -91.9 -78.7 154.2 23.4 86.8 17.9 34 41 A R - 0 0 146 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.336 41.0-154.3 -63.8 148.7 21.1 88.9 19.9 35 42 A E E -C 27 0B 83 -8,-2.7 -8,-2.5 -3,-0.1 2,-0.2 -0.993 16.6-122.6-129.0 133.0 17.4 88.1 19.7 36 43 A L E +C 26 0B 59 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.537 29.4 178.9 -65.8 136.5 14.4 90.3 20.3 37 44 A V E - 0 0 0 -12,-3.2 12,-2.6 1,-0.4 2,-0.3 0.787 58.3 -10.9-106.0 -51.3 12.2 88.8 23.1 38 45 A A E -CE 25 48B 1 -13,-1.4 -13,-2.5 10,-0.2 -1,-0.4 -0.993 55.3-167.1-155.6 143.4 9.3 91.2 23.5 39 46 A T E -CE 24 47B 16 8,-2.5 8,-1.9 -2,-0.3 2,-0.3 -0.967 2.4-171.5-131.7 155.2 8.2 94.7 22.5 40 47 A I E -CE 23 46B 10 -17,-2.6 -17,-1.4 -2,-0.3 6,-0.2 -0.993 11.0-154.7-140.7 140.7 5.5 97.1 23.5 41 48 A N > - 0 0 41 4,-1.7 3,-1.9 -2,-0.3 -19,-0.1 -0.470 40.0 -88.5-105.6-176.8 4.5 100.3 21.7 42 49 A S T 3 S+ 0 0 78 1,-0.3 -22,-0.1 -2,-0.2 -21,-0.1 0.732 125.3 56.2 -68.1 -24.6 2.9 103.5 23.0 43 50 A R T 3 S- 0 0 203 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.448 120.6-106.9 -85.4 -1.1 -0.6 102.2 22.4 44 51 A G < + 0 0 38 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.501 67.7 152.1 88.6 6.5 0.2 99.1 24.6 45 52 A I - 0 0 91 1,-0.0 -4,-1.7 -5,-0.0 -1,-0.3 -0.585 28.5-158.6 -75.2 126.2 0.4 96.7 21.6 46 53 A T E -E 40 0B 60 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.609 14.5-172.6-104.6 161.0 2.7 93.9 22.5 47 54 A N E -E 39 0B 99 -8,-1.9 -8,-2.5 -2,-0.2 2,-0.3 -0.973 5.3-162.5-150.5 150.4 4.7 91.4 20.4 48 55 A Y E -E 38 0B 63 -2,-0.3 -10,-0.2 -10,-0.2 -11,-0.1 -0.976 25.6-105.7-135.4 146.4 6.7 88.4 21.4 49 56 A A >> - 0 0 25 -12,-2.6 3,-1.8 -2,-0.3 4,-0.6 -0.270 40.6-105.6 -62.6 157.1 9.4 86.3 19.7 50 57 A D T 34 S+ 0 0 146 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.810 118.7 59.0 -57.2 -32.0 8.4 82.9 18.5 51 58 A F T 34 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.1 -14,-0.1 0.580 87.2 76.5 -74.6 -10.6 10.2 81.2 21.4 52 59 A V T X4 - 0 0 0 -3,-1.8 3,-1.7 -15,-0.1 -1,-0.2 0.930 68.5-174.0 -69.6 -44.5 8.1 83.0 24.0 53 60 A K T 3< S- 0 0 159 -4,-0.6 -3,-0.1 -3,-0.4 -2,-0.1 0.850 72.0 -56.1 53.6 39.7 5.1 80.7 23.5 54 61 A G T 3 S+ 0 0 74 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.537 114.1 112.2 77.7 8.2 2.9 82.8 25.9 55 62 A R < + 0 0 30 -3,-1.7 17,-2.1 18,-0.1 2,-0.3 0.694 66.1 58.1 -88.5 -21.7 5.2 82.5 28.8 56 63 A F E -B 71 0A 3 15,-0.2 2,-0.4 -19,-0.1 15,-0.2 -0.826 60.6-160.8-115.7 151.3 6.4 86.1 29.1 57 64 A T E -B 70 0A 73 13,-2.4 13,-3.0 -2,-0.3 2,-0.4 -0.985 3.2-160.0-133.0 123.5 4.5 89.3 29.6 58 65 A I E +B 69 0A 4 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.821 22.1 170.8 -97.8 137.3 5.8 92.8 28.8 59 66 A S E -B 68 0A 50 9,-1.7 9,-2.4 -2,-0.4 2,-0.5 -0.962 23.8-142.2-145.1 161.1 4.1 95.7 30.5 60 67 A R E -B 67 0A 48 -2,-0.3 2,-0.4 7,-0.2 7,-0.3 -0.956 9.5-165.5-112.0 133.6 4.5 99.4 31.0 61 68 A D >> - 0 0 69 5,-2.9 3,-1.9 -2,-0.5 4,-1.2 -0.653 20.5-164.1-101.6 100.2 3.8 101.3 34.0 62 69 A N T 34 S+ 0 0 123 -2,-0.4 -42,-0.1 1,-0.3 -1,-0.1 0.483 80.7 65.1 -62.3 -17.8 3.9 104.9 32.1 63 70 A A T 34 S+ 0 0 95 3,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.840 117.7 23.8 -70.8 -35.8 4.2 107.0 35.3 64 71 A K T <4 S- 0 0 139 -3,-1.9 -47,-0.7 2,-0.2 -2,-0.2 0.538 99.7-129.8-100.4 -16.3 7.6 105.5 36.1 65 72 A K < + 0 0 124 -4,-1.2 2,-0.4 1,-0.3 -3,-0.1 0.468 59.2 141.5 63.7 1.0 8.7 104.5 32.7 66 73 A T - 0 0 16 -5,-0.5 -5,-2.9 -50,-0.2 2,-0.4 -0.697 35.8-162.6 -74.1 139.6 9.5 101.3 33.8 67 74 A V E -AB 15 60A 2 -52,-1.3 -52,-1.5 -2,-0.4 2,-0.3 -0.896 8.8-155.6-103.1 150.5 8.9 98.4 31.7 68 75 A Y E -AB 14 59A 49 -9,-2.4 -9,-1.7 -2,-0.4 2,-0.4 -0.784 13.3-156.3-131.1 153.3 8.8 95.1 33.0 69 76 A L E -AB 13 58A 0 -56,-2.4 -56,-2.7 -2,-0.3 2,-0.7 -0.933 11.1-163.4-128.7 107.2 9.3 91.6 31.6 70 77 A E E -AB 12 57A 44 -13,-3.0 -13,-2.4 -2,-0.4 2,-0.6 -0.849 9.7-166.0 -87.8 116.3 7.6 88.9 33.6 71 78 A M E -AB 11 56A 3 -60,-3.0 -60,-2.0 -2,-0.7 3,-0.3 -0.914 8.8-179.8-109.2 110.3 9.2 85.6 32.5 72 79 A N + 0 0 57 -17,-2.1 -62,-0.2 -2,-0.6 -63,-0.2 -0.670 60.4 20.1-100.5 161.6 7.3 82.5 33.6 73 80 A S S S- 0 0 61 -65,-0.8 -1,-0.2 -2,-0.2 -63,-0.2 0.879 81.5-164.2 51.0 48.0 8.2 78.8 32.9 74 81 A L - 0 0 16 -65,-1.9 -66,-2.5 -3,-0.3 -65,-0.1 -0.276 4.8-161.4 -63.8 146.9 11.8 79.6 32.3 75 82 A E > - 0 0 95 -68,-0.2 3,-2.3 -67,-0.1 4,-0.2 -0.891 34.2-104.4-126.7 158.2 13.9 76.9 30.5 76 83 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 0.829 119.1 62.3 -50.5 -35.7 17.7 76.3 30.3 77 84 A E G 3 S+ 0 0 123 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.622 90.8 67.9 -69.3 -13.8 17.6 77.5 26.6 78 85 A D G < S+ 0 0 4 -3,-2.3 -1,-0.3 2,-0.0 2,-0.2 0.470 70.8 125.4 -79.0 -2.5 16.4 80.9 28.0 79 86 A T < + 0 0 107 -3,-1.7 2,-0.3 -4,-0.2 -75,-0.0 -0.436 38.2 106.6 -62.1 122.4 19.8 81.4 29.6 80 87 A A S S- 0 0 27 -2,-0.2 2,-0.6 -51,-0.1 -51,-0.3 -0.963 76.2 -80.5-177.9 169.0 21.2 84.7 28.3 81 88 A V E -D 28 0B 100 -53,-2.7 -53,-2.0 -2,-0.3 2,-0.4 -0.875 48.3-155.0 -88.5 124.9 21.9 88.3 29.2 82 89 A Y E +D 27 0B 41 -2,-0.6 2,-0.3 -55,-0.2 -55,-0.2 -0.823 15.6 177.5-103.9 138.4 18.6 90.3 28.9 83 90 A Y E -D 26 0B 70 -57,-2.7 -57,-2.6 -2,-0.4 2,-0.2 -0.997 26.9-124.3-144.2 148.9 18.5 94.0 28.3 84 91 A a E -D 25 0B 43 -2,-0.3 2,-0.3 -59,-0.2 -59,-0.2 -0.608 31.4-174.7 -85.4 149.1 15.9 96.7 27.8 85 92 A Y E +D 24 0B 92 -61,-2.6 -61,-2.6 -2,-0.2 2,-0.3 -0.992 11.0 174.2-145.8 144.0 16.0 98.8 24.6 86 93 A T E -D 23 0B 42 -2,-0.3 2,-0.3 -63,-0.2 -63,-0.2 -0.982 10.2-159.0-143.9 154.9 14.3 101.8 23.2 87 94 A H - 0 0 86 -65,-1.2 -65,-0.4 -2,-0.3 -66,-0.4 -0.961 4.0-154.8-136.2 162.6 14.7 104.0 20.2 88 95 A Y + 0 0 148 -2,-0.3 2,-0.3 -67,-0.1 -68,-0.1 -0.986 15.6 170.3-131.9 135.1 13.7 107.4 19.0 89 96 A F + 0 0 177 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.985 5.8 151.5-145.7 138.8 13.3 108.7 15.5 90 97 A R - 0 0 176 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.976 19.1-157.6-154.6 162.8 12.0 111.9 14.0 91 98 A S - 0 0 69 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.960 4.6-161.5-138.1 153.9 12.4 114.0 10.9 92 99 A Y - 0 0 182 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.974 5.9-174.5-131.5 148.2 11.7 117.6 10.1 93 100 A W - 0 0 211 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.991 20.1-122.0-142.8 154.3 11.3 119.5 6.9 94 101 A G - 0 0 60 -2,-0.3 2,-0.2 1,-0.2 3,-0.1 -0.192 42.1 -81.7 -83.2 174.8 10.9 123.1 5.9 95 102 A Q - 0 0 183 1,-0.1 -1,-0.2 -2,-0.0 2,-0.0 -0.548 60.6-113.1 -68.2 143.2 8.1 124.8 4.0 96 103 A G - 0 0 78 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.317 19.5-140.3 -74.3 163.9 9.0 124.1 0.4 97 104 A T - 0 0 123 -3,-0.1 2,-0.5 2,-0.0 -3,-0.0 -1.000 18.0-127.7-122.6 132.3 10.0 126.8 -2.1 98 105 A Q - 0 0 161 -2,-0.4 2,-0.5 2,-0.0 0, 0.0 -0.631 23.1-167.5 -73.6 124.0 8.7 126.6 -5.6 99 106 A V - 0 0 110 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.969 5.6-176.7-114.8 116.8 11.5 126.8 -8.1 100 107 A T - 0 0 114 -2,-0.5 2,-0.6 2,-0.0 -2,-0.0 -0.956 8.3-161.6-113.6 130.7 10.4 127.4 -11.7 101 108 A V - 0 0 128 -2,-0.5 2,-0.6 2,-0.0 -2,-0.0 -0.961 9.2-157.5-117.2 117.7 12.9 127.4 -14.5 102 109 A S 0 0 99 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.875 360.0 360.0-103.1 122.8 11.9 129.0 -17.7 103 110 A S 0 0 176 -2,-0.6 -1,-0.1 0, 0.0 -2,-0.0 -0.832 360.0 360.0 145.2 360.0 13.4 128.4 -21.1