==== 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/CELL ADHESION 26-SEP-08 3EOA . COMPND 2 MOLECULE: EFALIZUMAB FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,J.DING . 1216 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 840 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 362 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 145 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 9 0 0 2 0 0 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 2 2 3 1 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 8 10 8 16 3 0 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 . 2 0 9 3 2 2 0 0 0 0 1 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 0 106 0, 0.0 2,-0.6 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 168.2 18.6 5.1 -20.2 2 2 L I - 0 0 7 93,-0.3 2,-0.6 91,-0.1 88,-0.1 -0.895 360.0-149.3-107.9 114.1 18.8 1.3 -19.9 3 3 L Q - 0 0 124 -2,-0.6 23,-1.0 94,-0.0 2,-0.6 -0.720 9.4-154.0 -80.3 117.6 17.7 -0.3 -16.6 4 4 L M E -A 25 0A 11 94,-0.6 2,-0.5 -2,-0.6 21,-0.2 -0.857 9.8-164.4 -93.5 121.7 19.6 -3.4 -15.9 5 5 L T E -A 24 0A 70 19,-2.9 19,-3.1 -2,-0.6 2,-0.2 -0.936 3.0-159.1-113.8 118.5 17.6 -5.8 -13.7 6 6 L Q E -A 23 0A 5 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.651 14.8-120.1 -98.1 149.8 19.5 -8.7 -12.0 7 7 L S E S+A 22 0A 55 15,-2.3 15,-2.7 -2,-0.2 2,-0.1 -0.980 81.8 12.4-143.3 127.9 17.9 -11.9 -10.6 8 8 L P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.676 65.0-144.1 -88.6-175.8 18.0 -12.8 -7.8 9 9 L S S S- 0 0 75 1,-0.2 94,-1.8 93,-0.1 2,-0.3 0.789 84.7 -6.5 -74.8 -30.5 19.2 -10.1 -5.4 10 10 L S E +d 103 0B 66 92,-0.3 2,-0.3 75,-0.0 -1,-0.2 -0.968 69.0 176.7-155.9 161.5 21.1 -12.7 -3.3 11 11 L L E -d 104 0B 37 92,-2.1 94,-2.7 -2,-0.3 2,-0.4 -0.983 19.5-140.0-159.5 167.8 21.5 -16.5 -3.1 12 12 L S E +d 105 0B 48 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.995 23.7 167.4-136.3 133.2 23.2 -19.4 -1.3 13 13 L A E -d 106 0B 14 92,-2.1 94,-1.9 -2,-0.4 2,-0.1 -0.991 32.0-113.9-142.6 149.7 24.5 -22.6 -3.0 14 14 L S E > -d 107 0B 50 -2,-0.3 3,-1.2 92,-0.2 64,-0.3 -0.399 50.3 -78.9 -78.6 158.7 26.7 -25.5 -1.9 15 15 L V T 3 S+ 0 0 67 92,-0.8 64,-0.2 1,-0.2 -1,-0.1 -0.375 118.1 27.0 -59.3 126.4 30.1 -26.2 -3.4 16 16 L G T 3 S+ 0 0 44 62,-2.0 -1,-0.2 1,-0.3 2,-0.2 0.619 93.7 126.5 94.9 17.0 29.8 -27.9 -6.8 17 17 L D < - 0 0 68 -3,-1.2 61,-1.9 59,-0.1 2,-0.7 -0.611 65.5-106.0-102.8 164.3 26.3 -26.5 -7.7 18 18 L R - 0 0 191 58,-0.2 2,-0.5 -2,-0.2 58,-0.2 -0.818 32.0-165.3 -92.2 115.8 25.1 -24.7 -10.8 19 19 L V E - B 0 75A 5 56,-3.3 56,-2.4 -2,-0.7 2,-0.6 -0.900 3.0-170.1-100.2 123.7 24.5 -21.0 -10.1 20 20 L T E - B 0 74A 73 -2,-0.5 2,-0.5 54,-0.2 54,-0.2 -0.918 2.8-175.3-119.2 106.2 22.4 -19.2 -12.7 21 21 L I E - B 0 73A 0 52,-3.2 52,-3.6 -2,-0.6 2,-0.4 -0.863 12.1-153.7 -98.4 128.9 22.3 -15.4 -12.4 22 22 L T E -AB 7 72A 43 -15,-2.7 -15,-2.3 -2,-0.5 2,-0.5 -0.887 9.0-168.0-108.7 131.3 20.0 -13.6 -14.9 23 23 L a E -AB 6 71A 0 48,-2.4 48,-2.2 -2,-0.4 2,-0.3 -0.975 8.9-165.9-115.6 129.4 20.4 -10.0 -16.1 24 24 L R E -AB 5 70A 113 -19,-3.1 -19,-2.9 -2,-0.5 2,-0.3 -0.882 10.5-134.6-118.4 147.2 17.5 -8.4 -18.0 25 25 L A E -A 4 0A 7 44,-1.4 -21,-0.2 -2,-0.3 3,-0.1 -0.775 16.5-130.5-108.2 144.0 17.6 -5.2 -20.1 26 26 L S S S- 0 0 46 -23,-1.0 2,-0.3 -2,-0.3 -1,-0.1 0.873 96.7 -13.3 -49.9 -45.5 15.2 -2.2 -20.2 27 27 L K S S- 0 0 156 41,-0.1 -1,-0.2 -24,-0.1 41,-0.1 -0.956 105.7 -47.8-158.5 156.1 15.3 -2.7 -24.0 28 28 L T + 0 0 41 -2,-0.3 41,-0.2 -3,-0.1 3,-0.1 0.301 42.4 172.7 -29.7 133.7 17.4 -4.6 -26.6 29 29 L I > - 0 0 0 39,-1.7 3,-1.6 1,-0.5 62,-0.2 -0.070 37.9-131.3-133.2 32.0 21.2 -4.4 -26.2 30 30 L S T 3 - 0 0 12 1,-0.2 38,-3.6 37,-0.1 -1,-0.5 -0.268 65.1 -43.6 43.8-127.9 22.3 -7.0 -28.8 31 31 L K T 3 S+ 0 0 87 36,-0.2 2,-2.0 -3,-0.1 -1,-0.2 0.287 103.4 118.8-108.7 4.9 24.8 -9.3 -27.3 32 32 L Y < + 0 0 60 -3,-1.6 59,-3.0 18,-0.2 2,-0.4 -0.422 35.4 127.9 -84.7 69.1 26.9 -6.6 -25.6 33 33 L L E -E 90 0C 0 -2,-2.0 18,-2.5 57,-0.2 2,-0.3 -0.956 37.4-160.7-120.0 143.2 26.6 -7.5 -21.9 34 34 L A E -E 89 0C 0 55,-3.0 55,-2.5 -2,-0.4 2,-0.4 -0.929 6.4-145.5-124.5 147.0 29.4 -7.9 -19.4 35 35 L W E -EF 88 48C 0 13,-1.9 12,-2.7 -2,-0.3 13,-1.0 -0.909 12.6-168.3-111.7 139.1 29.8 -9.6 -16.0 36 36 L Y E -EF 87 46C 0 51,-3.3 51,-2.2 -2,-0.4 2,-0.5 -0.951 11.8-149.4-123.6 145.1 31.9 -8.4 -13.1 37 37 L Q E -EF 86 45C 11 8,-2.8 8,-1.9 -2,-0.4 2,-0.6 -0.969 14.5-167.8-112.7 118.2 32.9 -10.2 -9.9 38 38 L Q - 0 0 18 47,-3.3 47,-0.3 -2,-0.5 5,-0.1 -0.926 1.8-163.1-113.1 114.7 33.4 -8.0 -6.9 39 39 L K > - 0 0 44 -2,-0.6 3,-1.4 4,-0.5 45,-0.1 -0.474 43.8 -70.2 -84.8 160.0 35.0 -9.4 -3.7 40 40 L P T 3 S- 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.275 116.2 -5.1 -56.5 127.5 34.8 -7.7 -0.3 41 41 L G T 3 S+ 0 0 86 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.274 117.0 103.1 73.9 -11.2 36.8 -4.4 -0.1 42 42 L K S < S- 0 0 125 -3,-1.4 -1,-0.2 1,-0.1 286,-0.1 -0.525 76.9 -99.1-102.2 166.5 38.2 -5.1 -3.6 43 43 L A - 0 0 23 -2,-0.2 -4,-0.5 1,-0.1 -1,-0.1 -0.507 50.4 -86.3 -80.6 151.7 37.4 -3.6 -7.0 44 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.207 41.4-142.1 -56.7 148.7 35.1 -5.5 -9.5 45 45 L K E -F 37 0C 124 -8,-1.9 -8,-2.8 -3,-0.1 2,-0.2 -0.971 14.1-118.4-124.0 126.9 36.7 -8.1 -11.8 46 46 L L E +F 36 0C 6 -2,-0.4 -10,-0.2 278,-0.3 3,-0.1 -0.402 41.0 157.0 -64.0 128.5 35.9 -8.7 -15.5 47 47 L L E + 0 0 3 -12,-2.7 8,-2.5 1,-0.4 2,-0.3 0.712 63.1 10.6-113.4 -53.6 34.6 -12.2 -16.2 48 48 L I E -FG 35 54C 0 -13,-1.0 -13,-1.9 6,-0.2 -1,-0.4 -0.945 56.8-179.7-132.3 147.9 32.5 -12.0 -19.4 49 49 L Y E >> + G 0 53C 11 4,-1.9 4,-2.1 -2,-0.3 3,-0.5 -0.946 66.8 29.1-140.6 165.4 32.0 -9.4 -22.2 50 50 L S T 34 S- 0 0 6 -2,-0.3 2,-2.2 1,-0.3 -18,-0.2 0.916 123.8 -72.3 47.4 48.6 29.9 -9.4 -25.4 51 51 L G T 34 S+ 0 0 0 -18,-2.5 -1,-0.3 1,-0.2 21,-0.2 -0.151 126.9 18.5 74.1 -45.7 27.4 -11.8 -23.8 52 52 L S T <4 S+ 0 0 77 -2,-2.2 2,-0.6 -3,-0.5 12,-0.3 0.391 84.9 118.6-141.8 -0.5 29.5 -15.0 -23.8 53 53 L T E < -G 49 0C 51 -4,-2.1 -4,-1.9 -3,-0.1 2,-0.3 -0.666 53.8-140.5 -83.4 118.1 33.2 -14.2 -24.3 54 54 L L E -G 48 0C 64 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.582 18.1-125.4 -72.6 131.3 35.4 -15.3 -21.4 55 55 L Q > - 0 0 38 -8,-2.5 3,-1.1 -2,-0.3 2,-0.4 -0.392 37.3 -88.9 -70.4 154.4 38.1 -12.9 -20.4 56 56 L S T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.558 114.5 22.6 -70.0 120.5 41.7 -14.2 -20.3 57 57 L G T 3 S+ 0 0 79 -2,-0.4 -1,-0.2 1,-0.4 -10,-0.0 -0.007 91.8 117.6 112.5 -26.7 42.5 -15.6 -16.8 58 58 L V S < S- 0 0 20 -3,-1.1 -1,-0.4 -11,-0.1 -11,-0.0 -0.608 72.6-109.8 -78.0 128.1 38.9 -16.3 -15.8 59 59 L P > - 0 0 49 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 -0.272 20.1-122.7 -57.7 140.5 38.1 -20.0 -15.2 60 60 L S T 3 S+ 0 0 109 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.457 102.1 86.1 -67.7 -0.6 35.9 -21.7 -17.8 61 61 L R T 3 S+ 0 0 76 14,-0.1 15,-2.3 16,-0.1 2,-0.4 0.607 78.8 79.6 -71.3 -12.2 33.5 -22.6 -14.9 62 62 L F E < +C 75 0A 4 -3,-2.0 2,-0.4 13,-0.2 13,-0.2 -0.844 64.9 175.9 -96.7 133.3 32.1 -19.1 -15.6 63 63 L S E -C 74 0A 57 11,-0.9 11,-3.5 -2,-0.4 2,-0.3 -0.986 17.6-158.5-145.5 128.0 29.8 -18.8 -18.6 64 64 L G E +C 73 0A 5 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.790 16.5 176.2-101.2 149.3 27.7 -16.0 -20.1 65 65 L S E +C 72 0A 50 7,-1.6 7,-2.9 -2,-0.3 2,-0.1 -0.993 23.6 64.0-149.1 148.4 24.7 -16.5 -22.4 66 66 L G E -C 71 0A 37 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.354 40.0-138.9 126.4 161.5 22.1 -14.4 -24.1 67 67 L S E > S+C 70 0A 71 3,-0.7 2,-0.8 -2,-0.1 3,-0.6 -0.967 70.8 6.8-154.6 137.5 21.1 -11.8 -26.7 68 68 L G T 3 S- 0 0 8 -38,-3.6 -39,-1.7 -2,-0.3 -41,-0.1 -0.802 126.4 -20.6 99.0-104.0 18.6 -8.9 -26.6 69 69 L T T 3 S+ 0 0 44 -2,-0.8 -44,-1.4 -41,-0.2 2,-0.6 0.691 119.8 71.7-112.9 -33.3 17.1 -8.4 -23.2 70 70 L D E < +BC 24 67A 82 -3,-0.6 -3,-0.7 -46,-0.2 2,-0.3 -0.804 56.5 165.4 -98.3 121.1 17.6 -11.7 -21.4 71 71 L F E -BC 23 66A 1 -48,-2.2 -48,-2.4 -2,-0.6 2,-0.4 -0.942 15.6-160.1-132.0 151.2 21.1 -12.7 -20.3 72 72 L T E -BC 22 65A 38 -7,-2.9 -7,-1.6 -2,-0.3 2,-0.6 -0.989 11.0-158.1-139.2 126.9 22.4 -15.4 -17.9 73 73 L L E -BC 21 64A 0 -52,-3.6 -52,-3.2 -2,-0.4 2,-0.6 -0.919 18.3-165.0 -94.5 125.4 25.7 -15.9 -16.0 74 74 L T E -BC 20 63A 27 -11,-3.5 2,-1.0 -2,-0.6 -11,-0.9 -0.926 10.4-169.5-116.8 105.4 26.1 -19.5 -15.2 75 75 L I E -BC 19 62A 0 -56,-2.4 -56,-3.3 -2,-0.6 2,-0.4 -0.850 17.8-163.1 -89.0 102.6 28.7 -20.4 -12.6 76 76 L S + 0 0 43 -15,-2.3 -58,-0.2 -2,-1.0 -59,-0.1 -0.767 67.3 14.2 -92.3 135.7 28.8 -24.2 -13.0 77 77 L S S S- 0 0 68 -2,-0.4 -1,-0.2 -60,-0.3 -59,-0.2 0.999 91.0-135.8 61.2 72.0 30.5 -26.1 -10.1 78 78 L L - 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