==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-SEP-08 3EO9 . COMPND 2 MOLECULE: EFALIZUMAB FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,J.DING . 427 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 41.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 51 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 . 3 4 4 3 5 10 0 0 1 1 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 5 1 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 0 116 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 155.9 28.2 -11.9 -15.8 2 2 L I - 0 0 6 93,-0.4 2,-0.6 24,-0.1 88,-0.1 -0.790 360.0-149.6 -85.2 126.6 31.9 -11.7 -16.4 3 3 L Q - 0 0 115 -2,-0.5 23,-1.4 94,-0.1 2,-0.6 -0.876 8.9-151.4 -95.0 123.9 33.4 -14.7 -18.3 4 4 L M E -A 25 0A 14 -2,-0.6 2,-0.6 94,-0.5 96,-0.3 -0.849 5.3-160.8 -99.0 121.3 37.0 -15.5 -17.4 5 5 L T E -A 24 0A 84 19,-3.5 19,-2.7 -2,-0.6 2,-0.4 -0.892 10.1-166.5-104.8 114.6 39.1 -17.1 -20.1 6 6 L Q E -A 23 0A 5 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.814 11.9-129.0-104.5 136.3 42.2 -18.8 -18.8 7 7 L S E S+A 22 0A 55 15,-2.4 15,-2.8 -2,-0.4 2,-0.1 -0.992 72.8 23.5-139.4 149.5 45.2 -20.1 -20.9 8 8 L P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.700 60.4-156.0 -79.8 167.6 46.8 -22.5 -21.3 9 9 L S S S+ 0 0 82 1,-0.2 94,-2.2 93,-0.2 2,-0.3 0.860 83.3 10.3 -68.1 -34.8 44.5 -25.2 -20.1 10 10 L S E -d 103 0B 65 92,-0.2 2,-0.3 75,-0.0 -1,-0.2 -0.988 65.2-175.0-145.6 147.3 47.6 -27.4 -19.4 11 11 L L E -d 104 0B 56 92,-2.4 94,-2.8 -2,-0.3 2,-0.6 -0.971 13.2-154.9-147.9 130.2 51.4 -26.8 -19.4 12 12 L S E +d 105 0B 38 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.939 32.7 161.6-104.3 117.7 54.2 -29.2 -18.9 13 13 L A E -d 106 0B 3 92,-2.6 94,-2.5 -2,-0.6 2,-0.3 -0.823 32.6-119.7-132.7 169.5 57.3 -27.5 -17.5 14 14 L S > - 0 0 46 -2,-0.3 3,-2.3 92,-0.2 64,-0.3 -0.803 42.0 -87.2-109.7 150.1 60.5 -28.2 -15.7 15 15 L V T 3 S+ 0 0 81 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.309 117.9 31.1 -48.5 131.6 61.8 -27.0 -12.3 16 16 L G T 3 S+ 0 0 40 62,-2.6 -1,-0.3 1,-0.3 63,-0.1 0.203 89.7 129.9 97.8 -14.7 63.5 -23.6 -12.9 17 17 L D < - 0 0 65 -3,-2.3 61,-2.7 60,-0.2 2,-0.6 -0.358 63.1-119.4 -68.6 149.6 61.3 -22.5 -15.8 18 18 L R - 0 0 168 59,-0.2 2,-0.5 -3,-0.1 58,-0.2 -0.836 34.4-157.3 -81.2 123.8 59.6 -19.2 -15.9 19 19 L V E - B 0 75A 2 56,-2.8 56,-2.5 -2,-0.6 2,-0.5 -0.925 10.1-167.7-111.5 131.8 55.8 -19.9 -16.1 20 20 L T E - B 0 74A 65 -2,-0.5 2,-0.4 54,-0.2 54,-0.2 -0.975 4.8-177.2-121.1 118.6 53.3 -17.5 -17.5 21 21 L I E - B 0 73A 0 52,-2.9 52,-3.1 -2,-0.5 2,-0.3 -0.972 12.2-155.6-117.8 130.9 49.5 -18.1 -17.0 22 22 L T E -AB 7 72A 47 -15,-2.8 -15,-2.4 -2,-0.4 2,-0.4 -0.798 12.5-170.9-113.2 148.0 47.0 -15.7 -18.5 23 23 L a E -AB 6 71A 1 48,-2.4 48,-2.4 -2,-0.3 2,-0.4 -0.994 5.8-165.9-134.3 129.0 43.4 -14.7 -17.7 24 24 L R E -AB 5 70A 129 -19,-2.7 -19,-3.5 -2,-0.4 2,-0.3 -0.948 11.2-144.5-115.3 133.1 41.2 -12.6 -19.9 25 25 L A E -A 4 0A 1 44,-2.2 -21,-0.2 -2,-0.4 4,-0.1 -0.761 16.2-132.0 -95.8 144.3 37.9 -11.1 -18.7 26 26 L S S S+ 0 0 50 -23,-1.4 2,-0.3 -2,-0.3 -1,-0.1 0.801 95.4 5.8 -64.6 -33.2 34.9 -10.7 -21.1 27 27 L K S S- 0 0 149 41,-0.1 -1,-0.1 -24,-0.1 -25,-0.0 -0.906 110.2 -60.9-138.2 169.8 34.6 -7.1 -20.0 28 28 L T - 0 0 82 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.159 36.6-178.8 -55.1 139.7 36.8 -4.9 -17.8 29 29 L I > - 0 0 0 39,-2.6 3,-1.8 1,-0.4 62,-0.2 -0.004 35.4-137.2-120.8 22.9 37.3 -6.0 -14.1 30 30 L S T 3 - 0 0 51 1,-0.3 38,-1.4 38,-0.1 -1,-0.4 -0.321 65.0 -36.6 54.0-129.5 39.4 -3.0 -13.3 31 31 L K T 3 S+ 0 0 100 36,-0.2 2,-1.5 -3,-0.1 -1,-0.3 0.441 107.8 114.0 -98.8 1.5 42.4 -4.2 -11.2 32 32 L Y < + 0 0 49 -3,-1.8 59,-2.7 18,-0.2 2,-0.4 -0.547 31.8 130.3 -92.4 85.5 40.5 -6.8 -9.3 33 33 L L E -E 90 0B 0 -2,-1.5 18,-2.9 57,-0.2 2,-0.3 -0.999 34.3-160.3-131.7 131.9 41.7 -10.3 -10.1 34 34 L A E -E 89 0B 0 55,-3.2 55,-2.1 -2,-0.4 2,-0.4 -0.786 4.2-150.8-108.9 153.3 42.6 -13.0 -7.6 35 35 L W E -EF 88 48B 0 13,-2.6 12,-3.1 -2,-0.3 13,-1.4 -0.984 10.9-171.1-126.3 138.3 44.7 -16.1 -8.2 36 36 L Y E -EF 87 46B 2 51,-2.8 51,-2.3 -2,-0.4 2,-0.4 -0.924 13.4-146.7-126.2 150.0 44.5 -19.5 -6.3 37 37 L Q E -EF 86 45B 17 8,-2.5 8,-3.2 -2,-0.3 2,-0.4 -0.954 18.0-171.3-112.0 136.1 46.6 -22.6 -6.3 38 38 L Q E -E 85 0B 18 47,-3.1 47,-2.9 -2,-0.4 5,-0.1 -0.994 8.7-163.3-134.1 130.8 45.0 -26.0 -5.8 39 39 L K > - 0 0 63 4,-0.4 3,-2.4 -2,-0.4 45,-0.1 -0.804 47.6 -74.8-106.6 150.5 46.6 -29.4 -5.2 40 40 L P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.123 116.6 4.3 -53.9 132.4 44.6 -32.7 -5.8 41 41 L G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.457 113.2 102.9 75.1 2.6 42.1 -33.4 -3.0 42 42 L K S < S- 0 0 131 -3,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.746 75.2-103.8-113.5 161.0 42.8 -30.1 -1.3 43 43 L A - 0 0 19 -2,-0.3 -4,-0.4 1,-0.1 2,-0.1 -0.404 48.6 -89.0 -72.8 157.7 41.0 -26.7 -1.1 44 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.405 37.8-145.0 -63.4 142.6 42.3 -23.8 -3.2 45 45 L K E -F 37 0B 114 -8,-3.2 -8,-2.5 -2,-0.1 2,-0.3 -0.951 17.0-119.4-111.4 135.2 44.9 -21.5 -1.5 46 46 L L E +F 36 0B 15 -2,-0.4 -10,-0.2 277,-0.3 3,-0.1 -0.520 38.1 162.6 -71.2 130.7 44.9 -17.7 -2.2 47 47 L L E + 0 0 8 -12,-3.1 8,-2.7 1,-0.4 2,-0.3 0.754 61.4 7.3-107.6 -54.0 48.1 -16.4 -3.8 48 48 L I E -FG 35 54B 0 -13,-1.4 -13,-2.6 6,-0.2 -1,-0.4 -0.960 55.4-174.0-138.4 144.6 47.3 -13.0 -5.2 49 49 L Y E >> + G 0 53B 30 4,-2.5 4,-2.3 -2,-0.3 3,-0.6 -0.919 68.3 29.5-134.0 167.3 44.5 -10.4 -5.1 50 50 L S T 34 S- 0 0 7 -2,-0.3 2,-1.4 1,-0.3 -18,-0.2 0.853 123.5 -73.8 50.6 38.6 43.8 -7.1 -6.8 51 51 L G T 34 S+ 0 0 2 -18,-2.9 -1,-0.3 1,-0.2 21,-0.2 -0.180 127.2 22.6 81.6 -43.5 45.9 -8.3 -9.8 52 52 L S T <4 S+ 0 0 73 -2,-1.4 2,-0.7 -3,-0.6 12,-0.3 0.405 85.7 111.9-140.2 -4.3 49.3 -7.9 -8.1 53 53 L T E < -G 49 0B 57 -4,-2.3 -4,-2.5 10,-0.1 2,-0.3 -0.725 55.3-142.1 -88.4 116.7 49.1 -8.0 -4.3 54 54 L L E -G 48 0B 57 -2,-0.7 -6,-0.2 -6,-0.2 2,-0.2 -0.555 17.5-120.8 -72.7 133.5 50.6 -11.1 -2.7 55 55 L Q > - 0 0 49 -8,-2.7 3,-2.3 -2,-0.3 -1,-0.1 -0.524 47.3 -88.3 -64.5 138.0 48.8 -12.6 0.3 56 56 L S T 3 S+ 0 0 123 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.289 116.9 28.4 -52.2 131.5 51.2 -12.6 3.3 57 57 L G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.106 85.6 126.8 102.4 -19.7 53.2 -15.8 3.3 58 58 L V < - 0 0 25 -3,-2.3 -1,-0.3 -11,-0.2 -4,-0.1 -0.575 68.7-107.1 -73.6 127.6 53.1 -16.4 -0.4 59 59 L P > - 0 0 55 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.191 21.7-119.7 -57.4 147.3 56.7 -16.9 -1.8 60 60 L S T 3 S+ 0 0 115 1,-0.3 16,-0.1 -3,-0.1 -2,-0.1 0.607 104.3 77.6 -66.8 -15.4 58.2 -14.0 -3.9 61 61 L R T 3 S+ 0 0 45 14,-0.1 15,-2.4 16,-0.1 2,-0.4 0.712 82.6 80.3 -67.3 -19.7 58.6 -16.1 -7.0 62 62 L F E < +C 75 0A 5 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.770 61.3 162.2 -86.0 132.6 54.8 -15.7 -7.5 63 63 L S E -C 74 0A 53 11,-2.2 11,-3.2 -2,-0.4 2,-0.3 -0.976 21.1-154.4-146.1 158.6 53.8 -12.4 -9.1 64 64 L G E +C 73 0A 11 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.979 13.7 170.6-135.4 146.9 50.8 -10.9 -10.9 65 65 L S E +C 72 0A 64 7,-2.4 7,-2.7 -2,-0.3 2,-0.2 -0.952 24.9 76.3-146.9 167.7 50.2 -8.1 -13.4 66 66 L G E -C 71 0A 38 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.437 38.1-147.9 119.5 170.8 47.5 -6.6 -15.7 67 67 L S E > +C 70 0A 74 3,-1.2 3,-1.8 -2,-0.2 2,-0.9 -0.951 62.9 16.8-164.2 165.7 44.4 -4.5 -15.6 68 68 L G T 3 S- 0 0 20 -38,-1.4 -39,-2.6 -2,-0.3 -41,-0.1 -0.487 130.3 -19.5 69.9-102.1 41.1 -4.1 -17.5 69 69 L T T 3 S+ 0 0 41 -2,-0.9 -44,-2.2 -41,-0.2 2,-0.5 0.481 122.8 71.9-115.8 -8.9 40.6 -7.3 -19.4 70 70 L D E < +BC 24 67A 85 -3,-1.8 -3,-1.2 -46,-0.2 2,-0.3 -0.932 53.6 163.1-127.5 119.8 44.1 -8.8 -19.5 71 71 L F E -BC 23 66A 3 -48,-2.4 -48,-2.4 -2,-0.5 2,-0.4 -0.916 16.3-158.7-135.8 154.8 46.0 -10.4 -16.6 72 72 L T E -BC 22 65A 35 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.5 -0.993 9.0-156.9-138.1 137.2 49.0 -12.6 -16.0 73 73 L L E -BC 21 64A 1 -52,-3.1 -52,-2.9 -2,-0.4 2,-0.4 -0.969 22.8-164.5-104.8 129.7 50.3 -14.9 -13.1 74 74 L T E -BC 20 63A 8 -11,-3.2 -11,-2.2 -2,-0.5 2,-0.6 -0.967 20.4-165.7-119.4 130.5 54.0 -15.4 -13.3 75 75 L I E -BC 19 62A 0 -56,-2.5 -56,-2.8 -2,-0.4 3,-0.3 -0.966 15.4-158.7-104.7 109.6 56.1 -18.0 -11.5 76 76 L S S S+ 0 0 60 -15,-2.4 2,-0.3 -2,-0.6 -1,-0.1 0.854 79.6 6.3 -62.0 -40.1 59.7 -16.6 -12.0 77 77 L S S S- 0 0 45 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.850 86.3-125.4-147.4 111.2 61.4 -20.0 -11.4 78 78 L L - 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