==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 15-FEB-01 1I3G . COMPND 2 MOLECULE: ANTIBODY FV FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.JUNG,S.SPINELLI,B.SCHIMMELE,A.HONEGGER,L.PUGLIESE, . 217 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 20 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 PARALLEL BRIDGES PER LADDER . 0 4 4 1 1 6 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 0 2 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 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 L D 0 0 135 0, 0.0 2,-0.6 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 106.0 8.6 28.1 43.7 2 2 L I - 0 0 6 93,-0.3 2,-0.3 91,-0.1 88,-0.1 -0.645 360.0-154.6 -78.5 115.6 11.4 26.7 41.4 3 3 L V - 0 0 81 -2,-0.6 23,-1.8 94,-0.1 2,-0.5 -0.685 1.3-154.0 -90.1 141.1 10.0 25.9 38.0 4 4 L L E -A 25 0A 11 94,-0.5 2,-0.6 -2,-0.3 96,-0.5 -0.970 9.1-168.0-119.0 114.8 11.7 23.3 35.8 5 5 L T E -A 24 0A 89 19,-2.5 19,-1.7 -2,-0.5 2,-0.3 -0.897 7.2-153.9-108.3 115.8 11.2 23.7 32.1 6 6 L Q E -A 23 0A 15 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.688 21.9-122.7 -87.5 138.7 12.2 20.8 29.8 7 7 L S S S+ 0 0 50 15,-1.8 2,-0.3 -2,-0.3 -1,-0.1 0.926 83.7 7.7 -41.1 -70.3 13.2 21.7 26.3 8 8 L H - 0 0 108 14,-0.1 3,-0.1 1,-0.1 93,-0.0 -0.779 53.1-143.7-118.5 163.5 10.7 19.6 24.2 9 9 L K S S+ 0 0 126 -2,-0.3 94,-3.6 1,-0.3 2,-0.3 0.830 93.2 25.6 -89.1 -41.6 7.7 17.5 25.0 10 10 L F E -d 103 0B 109 92,-0.2 2,-0.3 75,-0.0 -1,-0.3 -0.895 64.6-173.5-123.7 152.1 8.6 15.0 22.3 11 11 L M E -d 104 0B 25 92,-2.3 94,-2.7 -2,-0.3 2,-0.3 -0.976 11.9-150.1-147.1 127.6 11.9 14.0 20.6 12 12 L S E +d 105 0B 93 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.713 32.0 130.9 -99.9 154.1 12.4 11.7 17.7 13 13 L T - 0 0 18 92,-1.1 2,-0.3 -2,-0.3 3,-0.1 -0.926 39.6-123.7 174.8 165.0 15.4 9.5 17.0 14 14 L S > - 0 0 62 -2,-0.3 3,-1.8 1,-0.1 64,-0.2 -0.821 46.2 -69.7-130.1 156.3 16.4 6.1 16.1 15 15 L V T 3 S+ 0 0 67 -2,-0.3 64,-0.2 1,-0.2 -1,-0.1 -0.180 116.8 34.4 -38.5 141.2 18.7 3.5 17.7 16 16 L G T 3 S+ 0 0 36 62,-2.0 -1,-0.2 1,-0.3 63,-0.1 -0.071 93.8 109.7 100.2 -32.0 22.3 4.4 17.4 17 17 L D < - 0 0 89 -3,-1.8 61,-2.9 61,-0.3 2,-0.4 -0.024 65.7-118.5 -75.7 176.2 21.9 8.2 17.7 18 18 L R - 0 0 171 59,-0.2 2,-0.4 -3,-0.1 58,-0.3 -0.974 28.5-169.9-118.4 129.7 22.9 10.6 20.6 19 19 L V E - B 0 75A 12 56,-2.7 56,-2.7 -2,-0.4 2,-0.4 -0.931 9.8-165.3-124.6 146.5 20.2 12.6 22.4 20 20 L S E - B 0 74A 46 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.996 3.6-167.7-131.9 124.5 20.4 15.5 24.8 21 21 L I E - B 0 73A 0 52,-2.8 52,-2.8 -2,-0.4 2,-0.3 -0.916 14.5-148.4-110.5 136.1 17.5 16.6 26.9 22 22 L T E - B 0 72A 62 -2,-0.4 -15,-1.8 50,-0.2 2,-0.4 -0.854 12.3-168.0-112.0 151.3 17.7 20.0 28.8 23 23 L a E -AB 6 71A 0 48,-3.0 48,-2.9 -2,-0.3 2,-0.5 -0.998 5.7-167.5-136.1 120.9 16.3 21.1 32.0 24 24 L K E -AB 5 70A 109 -19,-1.7 -19,-2.5 -2,-0.4 2,-0.3 -0.964 9.3-150.1-115.3 128.0 16.3 24.8 33.0 25 25 L A E -A 4 0A 3 44,-2.1 -21,-0.2 -2,-0.5 4,-0.1 -0.688 15.9-135.6 -94.0 147.3 15.5 25.9 36.6 26 26 L S S S+ 0 0 71 -23,-1.8 2,-0.3 -2,-0.3 -22,-0.1 0.454 91.4 27.3 -81.0 -0.5 13.9 29.3 37.3 27 29 L Q S S- 0 0 104 -24,-0.2 2,-0.3 41,-0.1 -2,-0.1 -0.962 102.2 -79.6-151.3 162.0 16.4 29.7 40.2 28 30 L D + 0 0 121 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.510 42.6 170.2 -70.3 127.1 19.8 28.5 41.1 29 31 L V > - 0 0 7 39,-2.5 3,-2.6 1,-0.4 2,-0.2 0.059 34.0-139.1-122.6 21.4 19.7 25.0 42.5 30 32 L G T 3 - 0 0 30 1,-0.3 38,-3.0 38,-0.2 -1,-0.4 -0.390 68.5 -40.8 56.9-119.0 23.4 24.3 42.6 31 39 L T T 3 S+ 0 0 59 36,-0.2 2,-2.2 -2,-0.2 -1,-0.3 0.112 98.2 127.2-126.4 21.7 23.6 20.7 41.4 32 40 L A < + 0 0 7 -3,-2.6 59,-2.4 18,-0.2 2,-0.4 -0.321 41.1 123.7 -78.9 59.2 20.6 19.4 43.3 33 41 L V E -E 90 0B 0 -2,-2.2 18,-2.7 57,-0.2 2,-0.3 -0.963 38.8-170.9-127.2 136.4 19.0 17.9 40.2 34 42 L A E -E 89 0B 2 55,-2.3 55,-2.3 -2,-0.4 2,-0.4 -0.935 10.8-147.2-124.7 149.7 17.9 14.3 39.4 35 43 L W E -EF 88 48B 0 13,-2.2 12,-2.8 -2,-0.3 13,-1.0 -0.940 14.1-166.4-117.8 138.6 16.8 12.6 36.2 36 44 L Y E -EF 87 46B 21 51,-2.7 51,-1.8 -2,-0.4 2,-0.4 -0.894 11.7-146.5-123.9 155.0 14.2 9.8 36.1 37 45 L Q E -EF 86 45B 18 8,-2.6 8,-2.3 -2,-0.3 2,-0.4 -0.977 18.0-174.2-118.7 131.7 13.2 7.4 33.3 38 46 L Q E -E 85 0B 17 47,-2.5 47,-2.5 -2,-0.4 5,-0.1 -0.966 8.8-168.2-135.2 120.6 9.6 6.2 33.1 39 47 L K > - 0 0 58 -2,-0.4 3,-1.4 4,-0.4 45,-0.1 -0.676 47.0 -77.2 -95.8 156.2 8.1 3.6 30.8 40 48 L P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.255 114.5 10.3 -56.7 137.7 4.3 3.2 30.5 41 49 L G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.675 114.0 95.6 67.3 19.9 2.4 1.5 33.4 42 50 L Q S < S- 0 0 107 -3,-1.4 -1,-0.3 3,-0.0 3,-0.1 -0.872 77.0-102.9-134.7 167.2 5.6 1.5 35.5 43 51 L S - 0 0 23 -2,-0.3 -4,-0.4 1,-0.1 168,-0.1 -0.536 48.3 -86.9 -91.9 154.9 7.1 3.7 38.2 44 52 L P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 165,-0.3 -0.265 37.9-148.4 -59.3 148.1 10.0 6.2 37.6 45 53 L K E -F 37 0B 87 -8,-2.3 -8,-2.6 163,-0.1 2,-0.2 -0.982 18.3-118.8-121.3 129.4 13.5 4.8 37.8 46 54 L L E +F 36 0B 8 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.507 37.2 165.2 -70.9 133.2 16.4 7.1 39.0 47 55 L L E + 0 0 1 -12,-2.8 8,-2.3 1,-0.4 2,-0.3 0.774 62.3 10.8-110.5 -56.2 19.2 7.7 36.5 48 56 L I E -FG 35 54B 0 -13,-1.0 -13,-2.2 6,-0.2 -1,-0.4 -0.963 58.1-179.2-132.1 144.2 21.3 10.6 37.7 49 57 L Y E > + G 0 53B 46 4,-2.1 4,-2.5 -2,-0.3 3,-0.3 -0.943 69.4 32.4-138.8 160.6 21.5 12.6 40.9 50 58 L W T 4 S- 0 0 137 -2,-0.3 2,-2.5 1,-0.3 -18,-0.2 0.892 125.7 -77.6 56.5 38.7 23.6 15.5 42.0 51 67 L A T 4 S+ 0 0 1 -18,-2.7 -1,-0.3 1,-0.2 21,-0.2 -0.197 126.5 25.5 68.8 -46.3 23.4 16.6 38.4 52 68 L S T 4 S+ 0 0 73 -2,-2.5 2,-0.5 -3,-0.3 12,-0.3 0.342 85.0 112.4-133.3 11.8 26.0 14.1 37.1 53 69 L T E < -G 49 0B 58 -4,-2.5 -4,-2.1 10,-0.1 2,-0.3 -0.739 58.7-136.1 -90.2 127.7 26.3 11.0 39.4 54 70 L R E -G 48 0B 108 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.671 21.9-125.6 -81.2 137.9 25.0 7.8 37.8 55 71 L H > - 0 0 24 -8,-2.3 3,-2.0 -2,-0.3 2,-0.4 -0.395 41.1 -74.8 -80.7 159.0 22.9 5.6 40.1 56 72 L T T 3 S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.348 122.1 16.8 -55.4 104.3 23.6 2.0 41.0 57 73 L G T 3 S+ 0 0 70 -2,-0.4 -1,-0.2 1,-0.4 -10,-0.0 0.136 87.0 122.6 120.7 -22.9 22.6 0.2 37.8 58 74 L V < - 0 0 14 -3,-2.0 -1,-0.4 -11,-0.2 2,-0.1 -0.572 62.2-115.2 -77.5 134.5 22.4 2.8 35.1 59 75 L P > - 0 0 40 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 -0.422 21.5-112.1 -70.5 147.3 24.6 2.2 32.0 60 76 L D T 3 S+ 0 0 133 1,-0.3 16,-0.1 -2,-0.1 -2,-0.0 0.566 108.0 84.5 -51.8 -13.4 27.6 4.5 31.0 61 77 L R T 3 S+ 0 0 38 14,-0.1 15,-1.9 16,-0.1 2,-0.4 0.730 81.1 70.8 -61.5 -29.2 25.4 5.4 28.0 62 78 L F E < +C 75 0A 4 -3,-2.8 2,-0.4 13,-0.2 13,-0.2 -0.823 62.7 174.7 -94.7 133.8 23.7 8.0 30.2 63 79 L T E -C 74 0A 67 11,-2.2 11,-2.1 -2,-0.4 2,-0.3 -0.979 12.0-160.4-142.5 125.9 25.6 11.1 31.3 64 80 L G E +C 73 0A 4 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.697 17.8 164.1-103.0 159.4 24.3 14.1 33.2 65 81 L S E +C 72 0A 52 7,-1.5 7,-2.3 -2,-0.3 2,-0.1 -0.975 19.3 72.0-163.3 168.1 25.9 17.5 33.3 66 82 L G E -C 71 0A 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.402 41.1-143.5 110.6 172.8 25.3 21.1 34.2 67 83 L S E > +C 70 0A 77 3,-1.2 2,-1.7 -2,-0.1 3,-1.2 -0.947 62.3 17.6-171.1 156.5 25.0 23.3 37.3 68 84 L G T 3 S- 0 0 10 -38,-3.0 -39,-2.5 -2,-0.3 -38,-0.2 -0.558 130.6 -16.0 81.0 -82.8 23.1 26.3 38.6 69 87 L T T 3 S+ 0 0 44 -2,-1.7 -44,-2.1 -41,-0.2 2,-0.5 0.475 122.0 69.3-135.7 -11.9 20.2 26.7 36.3 70 88 L D E < +BC 24 67A 80 -3,-1.2 -3,-1.2 -46,-0.2 2,-0.3 -0.951 53.9 169.4-122.5 118.0 21.0 24.6 33.2 71 89 L F E -BC 23 66A 1 -48,-2.9 -48,-3.0 -2,-0.5 2,-0.3 -0.896 10.8-164.6-123.8 151.3 21.1 20.8 33.3 72 90 L T E -BC 22 65A 33 -7,-2.3 -7,-1.5 -2,-0.3 2,-0.5 -0.999 12.5-153.9-143.5 138.6 21.3 18.2 30.5 73 91 L L E -BC 21 64A 0 -52,-2.8 -52,-2.8 -2,-0.3 2,-0.4 -0.936 20.6-165.6-109.8 128.1 20.7 14.5 30.2 74 92 L T E -BC 20 63A 15 -11,-2.1 -11,-2.2 -2,-0.5 2,-0.6 -0.973 17.2-172.6-125.3 126.8 22.7 12.8 27.4 75 93 L I E -BC 19 62A 0 -56,-2.7 -56,-2.7 -2,-0.4 3,-0.5 -0.960 9.3-170.0-114.1 104.9 22.2 9.3 25.9 76 94 L S S S+ 0 0 57 -15,-1.9 2,-0.3 -2,-0.6 -1,-0.1 0.848 79.0 21.8 -65.9 -39.6 25.2 8.8 23.5 77 95 L N S S- 0 0 71 -16,-0.2 -1,-0.3 -59,-0.1 -59,-0.2 -0.674 84.1-146.3-135.9 78.5 24.0 5.6 21.7 78 96 L V - 0 0 1 -61,-2.9 -62,-2.0 -3,-0.5 -61,-0.3 -0.226 16.3-167.5 -50.6 113.2 20.2 5.3 22.0 79 97 L Q > - 0 0 63 -64,-0.2 3,-1.6 -2,-0.1 4,-0.1 -0.512 36.8-103.2 -95.3 168.7 19.1 1.7 22.3 80 98 L S G > S+ 0 0 69 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.908 119.3 62.6 -60.2 -39.9 15.5 0.6 21.9 81 99 L E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.502 92.8 68.2 -64.0 -3.1 15.1 0.1 25.7 82 100 L D G < + 0 0 2 -3,-1.6 2,-0.8 2,-0.0 -1,-0.3 0.380 66.6 110.5 -96.2 -1.4 15.7 3.9 26.1 83 101 L L < + 0 0 42 -3,-2.0 2,-0.3 -4,-0.1 22,-0.1 -0.711 55.3 95.6 -77.0 110.3 12.5 4.9 24.4 84 102 L A S S- 0 0 6 -2,-0.8 20,-1.7 18,-0.1 2,-0.3 -0.957 77.8 -64.2-174.6-177.1 10.6 6.4 27.4 85 103 L D E -EH 38 103B 42 -47,-2.5 -47,-2.5 -2,-0.3 2,-0.4 -0.668 41.4-156.9 -89.8 149.4 9.7 9.5 29.3 86 104 L Y E -EH 37 102B 0 16,-1.3 16,-1.1 -2,-0.3 2,-0.3 -0.995 10.0-175.9-133.0 126.8 12.4 11.5 31.0 87 105 L F E -E 36 0B 7 -51,-1.8 -51,-2.7 -2,-0.4 2,-0.3 -0.914 13.6-150.9-121.2 147.0 11.9 13.9 33.9 88 106 L a E -E 35 0B 0 -2,-0.3 11,-2.4 -53,-0.2 2,-0.3 -0.862 17.3-166.1-113.3 148.9 14.3 16.2 35.8 89 107 L Q E -EI 34 98B 16 -55,-2.3 -55,-2.3 -2,-0.3 2,-0.4 -0.999 13.1-142.1-138.2 145.8 13.6 17.1 39.5 90 108 L Q E +EI 33 97B 0 7,-2.5 7,-0.9 -2,-0.3 -57,-0.2 -0.850 18.2 173.1-108.0 134.3 14.9 19.7 41.8 91 109 L Y + 0 0 72 -59,-2.4 -58,-0.1 -2,-0.4 3,-0.1 0.027 52.9 96.7-130.0 32.2 15.6 18.8 45.5 92 110 L S S S+ 0 0 59 -60,-0.3 2,-0.3 1,-0.3 4,-0.1 0.842 95.2 3.5 -85.9 -38.2 17.3 22.0 46.9 93 111 L S S S- 0 0 51 2,-0.2 -1,-0.3 4,-0.0 4,-0.1 -0.986 90.7 -57.5-149.9 155.2 14.2 23.5 48.3 94 135 L Y S S+ 0 0 105 -2,-0.3 2,-0.1 -3,-0.1 -92,-0.1 -0.502 103.5 46.5 -79.5 148.6 10.5 22.9 48.9 95 136 L P S S- 0 0 7 0, 0.0 -93,-0.3 0, 0.0 -2,-0.2 0.633 86.5-136.4 -79.5 152.2 8.3 22.3 47.3 96 137 L L - 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