==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 16-FEB-98 1A5F . COMPND 2 MOLECULE: MONOCLONAL ANTI-E-SELECTIN 7A9 ANTIBODY (LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.RODRIGUEZ-ROMERO,O.ALMOG,M.TORDOVA,Z.RANDHAWA . 432 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 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-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 . 2 0.5 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 . 67 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.2 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+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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 6 6 2 4 6 3 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 . 1 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 0 109 0, 0.0 2,-0.6 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 178.1 -4.5 58.0 64.5 2 2 L I - 0 0 4 99,-0.5 2,-0.6 24,-0.1 94,-0.1 -0.892 360.0-146.8-100.4 114.2 -6.0 54.5 63.8 3 3 L V - 0 0 83 -2,-0.6 23,-0.8 2,-0.0 2,-0.7 -0.812 4.1-148.5 -88.1 117.2 -5.9 52.4 66.9 4 4 L M E -A 25 0A 13 100,-0.7 2,-0.5 -2,-0.6 21,-0.2 -0.812 17.0-171.5 -87.1 112.7 -5.3 48.8 66.3 5 5 L T E +A 24 0A 78 19,-3.2 19,-1.5 -2,-0.7 2,-0.4 -0.953 11.2 165.8-114.4 120.4 -7.1 46.8 69.0 6 6 L Q - 0 0 11 -2,-0.5 100,-0.2 17,-0.2 17,-0.2 -0.951 23.6-125.9-143.0 118.3 -6.5 43.1 69.2 7 7 L S + 0 0 77 -2,-0.4 15,-0.6 15,-0.1 2,-0.2 -0.877 64.9 27.3-121.4 155.1 -7.4 40.8 72.0 8 8 L P - 0 0 63 0, 0.0 14,-0.1 0, 0.0 101,-0.1 0.620 57.3-142.9 -88.1 175.5 -6.6 38.7 74.0 9 9 L S S S+ 0 0 99 1,-0.2 100,-1.0 99,-0.2 2,-0.3 0.746 92.1 17.4 -64.7 -28.8 -2.9 39.3 74.8 10 10 L S E -d 109 0B 47 98,-0.3 2,-0.4 81,-0.1 -1,-0.2 -0.987 66.0-164.0-145.6 150.3 -2.7 35.5 74.9 11 11 L L E -d 110 0B 48 98,-2.4 100,-1.5 -2,-0.3 2,-0.6 -0.998 24.0-127.7-137.9 126.9 -4.9 32.6 73.8 12 12 L T E -d 111 0B 60 -2,-0.4 2,-0.4 98,-0.2 100,-0.2 -0.728 34.0-167.4 -80.1 115.6 -4.5 29.0 75.1 13 13 L V E -d 112 0B 3 98,-2.8 100,-2.6 -2,-0.6 2,-0.3 -0.891 14.9-144.7-111.9 136.9 -4.2 26.8 72.0 14 14 L T > - 0 0 66 -2,-0.4 3,-1.7 98,-0.2 70,-0.2 -0.769 39.5 -93.3 -96.4 143.5 -4.5 23.0 71.7 15 15 L T T 3 S+ 0 0 91 -2,-0.3 70,-0.2 98,-0.3 3,-0.1 -0.196 105.7 9.9 -57.6 136.5 -2.3 21.2 69.1 16 16 L G T 3 S+ 0 0 53 68,-2.7 -1,-0.2 1,-0.2 67,-0.1 0.376 101.2 120.8 79.0 -7.2 -3.8 20.6 65.7 17 17 L E S < S- 0 0 42 -3,-1.7 67,-3.4 66,-0.2 66,-1.4 -0.116 71.1 -98.9 -80.6-179.8 -6.9 22.8 66.4 18 18 L K E - B 0 82A 142 64,-0.3 64,-0.3 65,-0.2 2,-0.3 -0.916 37.2-167.3-105.5 108.2 -8.2 25.9 64.6 19 19 L V E - B 0 81A 11 62,-3.2 62,-1.7 -2,-0.7 2,-0.4 -0.672 2.8-163.0 -92.3 150.8 -7.2 29.1 66.4 20 20 L T E - B 0 80A 69 -2,-0.3 60,-0.2 60,-0.2 2,-0.2 -0.924 4.8-168.6-137.5 108.6 -8.9 32.4 65.4 21 21 L M E - B 0 79A 3 58,-2.7 58,-1.9 -2,-0.4 2,-0.3 -0.658 11.8-144.2 -91.4 156.4 -7.2 35.7 66.4 22 22 L T E - B 0 78A 56 -15,-0.6 2,-0.3 56,-0.3 56,-0.2 -0.928 16.6-178.4-127.3 152.6 -9.0 39.0 66.1 23 23 L a E - B 0 77A 0 54,-2.9 54,-2.0 -2,-0.3 2,-0.3 -0.945 4.8-178.5-139.7 152.5 -8.1 42.6 65.3 24 24 L K E -AB 5 76A 90 -19,-1.5 -19,-3.2 -2,-0.3 2,-0.3 -0.971 8.4-152.6-150.0 157.6 -10.2 45.9 65.2 25 25 L S E -A 4 0A 8 50,-1.0 -21,-0.2 -2,-0.3 4,-0.1 -0.963 22.2-133.6-139.8 158.5 -9.6 49.5 64.3 26 26 L S S S+ 0 0 63 -23,-0.8 2,-0.2 -2,-0.3 -1,-0.1 0.962 96.6 33.8 -67.8 -62.4 -10.7 53.1 65.0 27 27 L Q S S- 0 0 83 1,-0.1 2,-0.2 48,-0.1 -25,-0.0 -0.586 99.9-100.7 -88.7 164.2 -10.9 54.4 61.4 28 28 L S - 0 0 56 -2,-0.2 47,-0.2 1,-0.1 -1,-0.1 -0.566 22.6-155.2 -81.8 147.7 -11.9 52.1 58.5 29 29 L L + 0 0 0 45,-1.5 9,-2.6 -2,-0.2 -1,-0.1 0.234 53.6 125.5-105.1 5.1 -8.9 50.8 56.6 30 30 L L - 0 0 57 7,-0.2 2,-0.6 44,-0.2 7,-0.2 -0.409 55.0-146.8 -63.8 140.2 -11.0 50.2 53.5 31 31 L N > - 0 0 52 5,-0.5 4,-3.9 1,-0.1 5,-0.5 -0.761 4.0-160.7-115.6 84.6 -9.6 52.0 50.5 32 32 L S T 4 S+ 0 0 97 -2,-0.6 -1,-0.1 2,-0.2 5,-0.1 0.562 90.4 54.7 -39.0 -19.5 -12.6 53.0 48.5 33 33 L G T 4 S+ 0 0 61 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.904 123.1 19.9 -75.6 -80.6 -10.2 53.3 45.5 34 34 L A T 4 S- 0 0 53 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.641 96.3-140.2 -62.2 -19.1 -8.5 49.8 45.5 35 35 L Q < + 0 0 130 -4,-3.9 2,-0.4 1,-0.2 -3,-0.2 0.560 63.1 118.2 65.0 10.5 -11.4 48.5 47.4 36 36 L K S S- 0 0 59 -5,-0.5 2,-0.6 -7,-0.1 -5,-0.5 -0.866 72.1-110.5-110.3 144.1 -9.0 46.4 49.5 37 37 L N - 0 0 23 19,-0.5 2,-2.4 -2,-0.4 -7,-0.2 -0.572 22.8-137.6 -75.3 116.5 -8.5 46.7 53.3 38 38 L Y + 0 0 37 -9,-2.6 59,-2.6 -2,-0.6 2,-0.4 -0.350 57.4 127.7 -77.2 69.9 -5.1 48.1 54.0 39 39 L L E -E 96 0B 1 -2,-2.4 18,-2.0 57,-0.2 57,-0.2 -0.980 39.7-161.1-131.1 119.6 -4.2 45.8 57.0 40 40 L T E -E 95 0B 1 55,-0.6 55,-1.5 -2,-0.4 2,-0.4 -0.454 8.1-145.3 -92.4 167.2 -1.1 43.7 57.3 41 41 L W E -EF 94 54B 0 13,-2.3 12,-2.7 53,-0.2 13,-1.2 -0.982 19.3-178.2-138.7 120.4 -0.6 40.7 59.6 42 42 L Y E -EF 93 52B 0 51,-2.4 51,-1.2 -2,-0.4 2,-0.4 -0.764 14.6-156.4-116.4 163.6 2.8 40.0 61.2 43 43 L Q E -EF 92 51B 18 8,-1.1 8,-2.0 -2,-0.3 2,-0.4 -0.979 14.0-163.1-137.9 135.7 4.1 37.2 63.5 44 44 L Q E -E 91 0B 16 47,-2.6 47,-2.7 -2,-0.4 5,-0.1 -0.993 5.0-166.4-131.4 143.4 7.0 37.8 65.8 45 45 L K > - 0 0 64 4,-0.4 3,-2.4 -2,-0.4 2,-0.6 -0.950 41.9 -85.9-126.3 143.0 9.3 35.4 67.6 46 46 L P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.252 119.3 11.3 -46.0 94.4 11.8 35.9 70.4 47 47 L G T 3 S+ 0 0 74 -2,-0.6 2,-0.3 1,-0.5 -3,-0.0 0.616 112.8 93.3 106.9 16.1 14.9 36.9 68.6 48 48 L Q S < S- 0 0 106 -3,-2.4 -1,-0.5 3,-0.0 3,-0.1 -0.862 72.8-114.9-131.2 170.8 13.5 37.4 65.1 49 49 L S - 0 0 32 -2,-0.3 -4,-0.4 1,-0.2 -6,-0.1 -0.389 54.7 -77.8 -96.1 164.4 12.1 40.4 63.2 50 50 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.435 44.4-141.8 -68.3 158.0 8.4 40.3 62.3 51 51 L K E -F 43 0B 99 -8,-2.0 -8,-1.1 -3,-0.1 2,-0.7 -0.986 14.5-124.3-120.3 130.3 7.3 38.1 59.4 52 52 L L E +F 42 0B 7 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.672 37.5 162.7 -82.8 112.2 4.7 39.2 56.9 53 53 L L E + 0 0 1 -12,-2.7 8,-1.8 -2,-0.7 2,-0.3 0.803 65.1 7.1 -94.3 -42.8 1.9 36.6 56.7 54 54 L I E +FG 41 60B 1 -13,-1.2 -13,-2.3 6,-0.2 -1,-0.3 -0.966 56.7 178.6-145.1 150.5 -1.0 38.5 55.1 55 55 L Y E > S+ G 0 59B 54 4,-1.4 4,-2.9 -2,-0.3 3,-0.5 -0.889 71.5 41.0-142.9 167.0 -1.5 42.0 53.5 56 56 L W T 4 S- 0 0 93 -2,-0.3 2,-0.8 1,-0.3 -19,-0.5 0.748 127.3 -77.8 57.1 25.7 -4.6 43.5 52.0 57 57 L A T 4 S+ 0 0 0 -18,-2.0 14,-0.8 1,-0.2 -1,-0.3 -0.172 126.4 20.7 79.4 -38.1 -6.5 41.8 54.9 58 58 L S T 4 S+ 0 0 68 -2,-0.8 2,-0.8 -3,-0.5 12,-0.4 0.177 85.7 117.5-147.1 21.4 -6.4 38.4 53.4 59 59 L T E < -G 55 0B 47 -4,-2.9 -4,-1.4 10,-0.1 -2,-0.1 -0.839 57.0-136.3 -99.8 113.7 -3.7 38.1 50.8 60 60 L R E -G 54 0B 102 -2,-0.8 2,-0.3 -6,-0.2 -6,-0.2 -0.256 16.4-124.9 -67.7 147.4 -1.1 35.5 51.8 61 61 L E > - 0 0 54 -8,-1.8 3,-3.0 1,-0.1 2,-1.2 -0.648 38.7 -78.4 -94.7 155.8 2.5 36.2 51.4 62 62 L S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.3 -10,-0.1 -0.246 120.8 13.3 -53.1 87.1 5.1 34.2 49.5 63 63 L G T 3 S+ 0 0 59 -2,-1.2 -1,-0.3 1,-0.5 -10,-0.0 0.384 86.1 128.3 127.2 -5.7 5.9 31.4 51.9 64 64 L V < - 0 0 13 -3,-3.0 -1,-0.5 -11,-0.1 2,-0.2 -0.621 66.8-107.1 -77.8 143.2 3.1 31.6 54.5 65 65 L P > - 0 0 41 0, 0.0 3,-2.9 0, 0.0 -4,-0.1 -0.546 20.6-118.7 -72.6 142.7 1.5 28.2 54.9 66 66 L D T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -2,-0.2 -6,-0.0 0.669 109.1 77.0 -53.2 -17.8 -2.0 27.7 53.5 67 67 L R T 3 S+ 0 0 63 16,-0.1 15,-1.8 14,-0.1 2,-0.6 0.612 80.2 85.2 -70.2 -8.2 -3.2 27.0 57.0 68 68 L F E < -C 81 0A 4 -3,-2.9 2,-0.4 13,-0.2 13,-0.2 -0.817 62.5-176.5 -98.0 122.9 -3.0 30.8 57.5 69 69 L T E -C 80 0A 67 11,-2.0 11,-2.1 -2,-0.6 2,-0.2 -0.973 15.4-152.7-130.6 131.8 -6.1 32.8 56.4 70 70 L G E +C 79 0A 11 -2,-0.4 2,-0.3 -12,-0.4 -12,-0.3 -0.598 26.6 149.0 -91.2 156.5 -6.9 36.4 56.3 71 71 L S E +C 78 0A 40 -14,-0.8 7,-1.0 7,-0.6 2,-0.2 -0.943 11.5 110.9-168.6 177.8 -10.4 37.8 56.6 72 72 L G E -C 77 0A 30 5,-0.3 5,-0.3 -2,-0.3 2,-0.3 -0.382 36.6-143.9 121.4 156.6 -12.1 40.9 57.9 73 73 L S E > -C 76 0A 92 3,-2.7 3,-0.9 -2,-0.2 2,-0.9 -0.847 63.5 -17.3-160.7 123.6 -13.9 43.9 56.5 74 74 L G T 3 S- 0 0 12 -2,-0.3 -45,-1.5 1,-0.2 -44,-0.2 -0.784 130.5 -17.7 91.7-102.9 -14.0 47.5 57.6 75 75 L T T 3 S+ 0 0 38 -2,-0.9 -50,-1.0 -47,-0.2 2,-0.6 0.522 124.4 77.0-113.2 -19.9 -12.7 47.8 61.2 76 76 L D E < +BC 24 73A 81 -3,-0.9 -3,-2.7 -52,-0.2 2,-0.3 -0.895 55.3 156.6-107.8 114.4 -13.1 44.1 62.1 77 77 L F E -BC 23 72A 3 -54,-2.0 -54,-2.9 -2,-0.6 2,-0.3 -0.874 18.5-158.2-132.7 159.0 -10.6 41.5 60.9 78 78 L T E -BC 22 71A 35 -7,-1.0 2,-0.6 -2,-0.3 -7,-0.6 -0.990 15.2-143.4-143.9 150.6 -9.3 38.0 62.0 79 79 L L E -BC 21 70A 0 -58,-1.9 -58,-2.7 -2,-0.3 2,-0.7 -0.901 21.4-167.5-114.0 103.8 -6.3 35.6 61.7 80 80 L S E -BC 20 69A 22 -11,-2.1 -11,-2.0 -2,-0.6 2,-0.7 -0.821 8.6-175.7 -99.0 115.8 -7.5 32.0 61.5 81 81 L I E -BC 19 68A 0 -62,-1.7 -62,-3.2 -2,-0.7 2,-0.5 -0.969 11.1-171.3-103.2 106.6 -4.7 29.4 61.9 82 82 L S E S+B 18 0A 64 -15,-1.8 -64,-0.3 -2,-0.7 -65,-0.1 -0.948 72.1 26.7-103.0 132.0 -6.5 26.1 61.3 83 83 L G S S- 0 0 23 -66,-1.4 -1,-0.3 -2,-0.5 -65,-0.2 0.924 92.3-147.9 81.7 57.1 -4.4 23.1 62.1 84 84 L V - 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