==== 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 30-JAN-98 1A4K . COMPND 2 MOLECULE: ANTIBODY FAB; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.W.SPILLER,F.E.ROMESBURG,P.G.SCHULTZ,R.C.STEVENS . 869 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 342 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 100 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 5 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 . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 10 12 13 4 10 12 5 0 2 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 . 2 0 9 3 0 4 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 E 0 0 207 0, 0.0 2,-0.9 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 139.0 70.3 71.1 7.4 2 2 L L - 0 0 25 98,-0.1 2,-0.4 23,-0.1 93,-0.1 -0.732 360.0-170.3 -89.1 107.0 67.4 72.0 5.1 3 3 L V - 0 0 79 -2,-0.9 23,-1.8 99,-0.1 2,-0.5 -0.774 13.8-155.4-100.6 139.0 65.6 75.0 6.5 4 4 L M E -A 25 0A 9 99,-0.5 2,-0.5 -2,-0.4 101,-0.5 -0.928 13.8-159.5-107.5 132.6 62.3 76.3 5.2 5 5 L T E -A 24 0A 44 19,-1.7 19,-1.8 -2,-0.5 2,-0.7 -0.881 7.9-165.7-123.9 102.6 61.8 80.0 6.1 6 6 L Q E -A 23 0A 7 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.749 12.0-153.6 -86.6 115.8 58.3 81.5 6.0 7 7 L T S S+ 0 0 88 15,-1.3 2,-1.0 -2,-0.7 -1,-0.2 0.965 78.6 52.9 -55.8 -67.5 58.6 85.3 6.1 8 8 L P + 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.605 59.0 179.0 -77.8 107.8 55.4 86.5 7.7 9 9 L L S S+ 0 0 119 -2,-1.0 99,-2.5 1,-0.2 2,-0.4 0.815 79.9 30.2 -72.4 -30.9 55.2 84.6 11.0 10 10 L S E S-d 108 0B 70 97,-0.2 -1,-0.2 -3,-0.1 99,-0.2 -0.999 71.6-172.1-130.2 129.5 52.0 86.5 11.7 11 11 L L E -d 109 0B 27 97,-2.5 99,-2.1 -2,-0.4 2,-0.3 -0.798 1.0-171.4-127.7 91.1 49.6 87.7 9.0 12 12 L P E +d 110 0B 59 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.607 18.1 167.5 -79.2 141.6 46.8 90.0 9.9 13 13 L V E -d 111 0B 8 97,-2.4 99,-2.4 -2,-0.3 2,-0.1 -0.980 34.6-111.9-156.2 142.5 44.4 90.6 7.1 14 14 L S E > -d 112 0B 38 -2,-0.3 3,-2.4 97,-0.2 69,-0.4 -0.422 47.0 -91.5 -74.0 147.7 40.9 92.0 6.6 15 15 L L T 3 S+ 0 0 94 97,-0.7 69,-0.2 1,-0.3 -1,-0.1 -0.367 116.9 21.2 -57.6 133.3 38.0 89.8 5.6 16 16 L G T 3 S+ 0 0 45 67,-3.1 66,-0.4 1,-0.3 -1,-0.3 0.161 101.3 114.5 92.9 -19.7 37.8 89.8 1.8 17 17 L D S < S- 0 0 85 -3,-2.4 66,-2.9 65,-0.2 -1,-0.3 -0.382 70.5-106.2 -82.7 163.0 41.4 91.0 1.4 18 18 L Q - 0 0 108 64,-0.2 2,-0.4 63,-0.2 63,-0.2 -0.656 29.9-159.0 -89.6 145.9 44.2 88.9 -0.2 19 19 L A E - B 0 80A 3 61,-2.4 61,-2.6 -2,-0.3 2,-0.4 -0.958 2.4-161.8-124.8 142.8 46.9 87.3 2.0 20 20 L S E - B 0 79A 48 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.987 4.3-171.4-131.5 128.8 50.3 86.2 0.8 21 21 L I E - B 0 78A 1 57,-2.5 57,-2.9 -2,-0.4 2,-0.4 -0.963 9.7-156.8-118.9 130.9 52.7 83.8 2.6 22 22 L S E - B 0 77A 28 -2,-0.4 -15,-1.3 55,-0.2 2,-0.4 -0.863 6.7-170.0-110.9 141.4 56.3 83.3 1.4 23 23 L a E -AB 6 76A 0 53,-2.2 53,-2.4 -2,-0.4 2,-0.5 -0.999 4.1-172.5-130.7 125.9 58.5 80.2 2.0 24 24 L R E -AB 5 75A 113 -19,-1.8 -19,-1.7 -2,-0.4 2,-0.3 -0.980 7.8-156.9-125.0 122.2 62.2 80.3 1.2 25 25 L S E -A 4 0A 5 49,-1.7 -21,-0.2 -2,-0.5 4,-0.1 -0.686 22.7-130.8-100.1 152.5 64.4 77.1 1.4 26 26 L S S S+ 0 0 72 -23,-1.8 2,-0.3 -2,-0.3 -22,-0.1 0.570 94.8 40.4 -74.2 -9.9 68.1 76.8 1.8 27 27 L Q S S- 0 0 83 -24,-0.2 -2,-0.1 46,-0.1 71,-0.1 -0.975 99.0 -92.8-137.9 151.2 68.3 74.4 -1.1 28 1027 L S - 0 0 55 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.387 26.6-153.5 -63.1 139.9 66.6 74.2 -4.4 29 2027 L L + 0 0 0 44,-3.2 8,-0.8 -4,-0.1 2,-0.4 0.401 60.6 114.4 -95.3 0.1 63.5 72.1 -4.2 30 3027 L L B -J 36 0C 81 6,-0.2 6,-0.3 43,-0.1 2,-0.2 -0.589 64.7-136.5 -72.2 124.9 63.6 71.1 -7.9 31 4027 L H > - 0 0 38 4,-4.5 3,-2.7 -2,-0.4 -2,-0.1 -0.489 18.7-113.4 -85.6 158.1 64.2 67.4 -8.0 32 5027 L S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.567 119.8 60.1 -64.1 -6.6 66.7 65.6 -10.3 33 28 L N T 3 S- 0 0 78 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.237 123.2-104.9-105.0 11.1 63.6 64.2 -11.8 34 29 L G S < S+ 0 0 53 -3,-2.7 2,-0.2 1,-0.3 -2,-0.1 0.293 83.9 120.9 86.2 -10.5 62.2 67.6 -12.8 35 30 L N - 0 0 57 -5,-0.1 -4,-4.5 62,-0.0 2,-0.5 -0.570 50.3-153.7 -88.2 150.1 59.6 67.6 -10.0 36 31 L T B -J 30 0C 24 -6,-0.3 2,-1.4 -2,-0.2 -6,-0.2 -0.925 6.7-161.8-125.1 103.0 59.4 70.2 -7.2 37 32 L Y + 0 0 8 -8,-0.8 59,-2.3 -2,-0.5 2,-0.6 -0.565 33.8 142.6 -89.1 74.6 57.8 68.8 -4.1 38 33 L L E -E 95 0B 0 -2,-1.4 18,-2.9 57,-0.2 2,-0.3 -0.952 26.3-176.9-115.4 110.7 56.8 72.0 -2.2 39 34 L H E -E 94 0B 0 55,-3.0 55,-2.1 -2,-0.6 2,-0.4 -0.716 18.1-143.1-110.6 159.5 53.4 71.6 -0.4 40 35 L W E -EF 93 53B 0 13,-2.9 12,-3.2 -2,-0.3 13,-1.0 -0.982 17.6-172.0-123.7 131.2 51.3 73.9 1.7 41 36 L Y E -EF 92 51B 0 51,-2.6 51,-2.3 -2,-0.4 2,-0.4 -0.901 12.4-151.1-123.2 151.2 49.3 72.8 4.7 42 37 L L E -EF 91 50B 6 8,-2.7 8,-2.5 -2,-0.3 2,-0.6 -0.976 4.8-166.6-121.3 131.1 46.7 74.5 6.9 43 38 L Q E -E 90 0B 35 47,-2.7 47,-2.3 -2,-0.4 3,-0.1 -0.870 14.0-158.6-120.3 97.3 46.3 73.6 10.6 44 39 L K > - 0 0 66 -2,-0.6 3,-0.9 4,-0.5 45,-0.2 -0.271 40.0 -69.9 -70.3 159.7 43.1 75.1 11.9 45 40 L P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.238 118.6 3.1 -54.3 131.1 42.6 75.6 15.7 46 41 L G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.933 117.8 98.6 57.0 48.4 42.2 72.4 17.7 47 42 L Q S < S- 0 0 104 -3,-0.9 -1,-0.2 -4,-0.1 3,-0.1 -0.977 74.8-104.0-157.4 165.1 42.8 70.4 14.6 48 43 L S - 0 0 23 -2,-0.3 -4,-0.5 279,-0.1 281,-0.1 -0.546 53.4 -85.9 -90.3 157.7 45.4 68.4 12.6 49 44 L P - 0 0 6 0, 0.0 278,-0.5 0, 0.0 2,-0.4 -0.276 37.5-155.4 -65.7 151.7 46.9 69.9 9.4 50 45 L K E -F 42 0B 55 -8,-2.5 -8,-2.7 276,-0.1 2,-0.2 -0.990 22.2-114.1-127.6 137.0 45.2 69.5 6.0 51 46 L L E +F 41 0B 5 274,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.485 36.8 168.5 -71.0 136.7 47.0 69.6 2.7 52 47 L L E + 0 0 10 -12,-3.2 8,-3.5 1,-0.4 2,-0.4 0.773 63.2 14.4-110.9 -62.8 46.1 72.6 0.5 53 48 L I E -FG 40 59B 0 -13,-1.0 -13,-2.9 6,-0.2 -1,-0.4 -0.962 66.5-164.4-121.3 135.2 48.5 72.9 -2.4 54 49 L Y E > + G 0 58B 53 4,-3.0 4,-2.3 -2,-0.4 3,-0.3 -0.873 66.5 11.8-120.4 155.8 50.9 70.2 -3.6 55 50 L K T 4 S- 0 0 51 -2,-0.3 2,-2.4 266,-0.3 3,-0.3 0.944 126.1 -64.0 43.3 61.3 54.0 70.3 -5.9 56 51 L V T 4 S+ 0 0 18 -18,-2.9 -1,-0.2 -3,-0.2 21,-0.1 -0.321 130.0 19.1 71.4 -63.1 54.0 74.1 -5.8 57 52 L S T 4 S+ 0 0 66 -2,-2.4 2,-0.7 -3,-0.3 12,-0.3 0.429 86.3 115.0-124.3 2.8 50.7 75.0 -7.5 58 53 L N E < -G 54 0B 63 -4,-2.3 -4,-3.0 -3,-0.3 2,-0.1 -0.663 56.2-138.5 -86.7 113.9 48.3 72.1 -7.4 59 54 L R E -G 53 0B 95 -2,-0.7 -6,-0.2 -6,-0.2 2,-0.1 -0.418 21.3-131.0 -66.7 134.3 45.1 72.5 -5.4 60 55 L F > - 0 0 40 -8,-3.5 3,-2.0 1,-0.1 2,-0.1 -0.396 39.6 -73.5 -81.5 163.4 44.3 69.4 -3.4 61 56 L S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -10,-0.1 -0.356 120.5 18.3 -60.6 127.5 40.8 67.8 -3.4 62 57 L G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.377 91.7 129.9 93.6 -3.4 38.3 69.9 -1.4 63 58 L V < - 0 0 17 -3,-2.0 -1,-0.3 -11,-0.2 -4,-0.0 -0.755 60.1-120.6 -91.3 118.3 40.5 73.0 -1.4 64 59 L P > - 0 0 53 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 -0.033 20.5-117.7 -49.3 158.1 38.7 76.2 -2.5 65 60 L D T 3 S+ 0 0 126 1,-0.2 16,-0.1 -6,-0.1 -2,-0.0 0.503 104.2 82.5 -79.4 -5.5 40.0 78.0 -5.6 66 61 L R T 3 S+ 0 0 20 14,-0.1 15,-2.3 16,-0.1 2,-0.4 0.747 81.6 79.7 -68.7 -21.4 40.9 81.1 -3.5 67 62 L F E < +C 80 0A 5 -3,-1.0 2,-0.3 13,-0.2 13,-0.2 -0.721 58.9 155.1 -90.3 134.3 44.0 79.2 -2.6 68 63 L S E -C 79 0A 45 11,-1.7 11,-3.2 -2,-0.4 2,-0.3 -0.986 21.8-156.7-154.4 153.6 46.9 79.2 -5.0 69 64 L G E +C 78 0A 13 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.951 11.6 172.5-134.9 156.0 50.6 78.7 -4.9 70 65 L S E +C 77 0A 52 7,-2.7 7,-2.6 -2,-0.3 2,-0.2 -0.878 22.4 97.2-148.1 177.3 53.6 79.7 -7.1 71 66 L G E -C 76 0A 35 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.499 37.2-141.0 123.5 167.7 57.4 79.7 -7.0 72 67 L S E > +C 75 0A 88 3,-2.0 3,-2.4 -2,-0.2 2,-1.0 -0.979 63.7 1.1-161.6 159.9 60.4 77.7 -8.2 73 68 L G T 3 S- 0 0 21 -2,-0.3 -44,-3.2 1,-0.3 -43,-0.1 -0.395 132.3 -19.2 62.0 -99.1 63.8 76.6 -7.0 74 69 L T T 3 S+ 0 0 56 -2,-1.0 -49,-1.7 -46,-0.2 2,-0.5 0.354 122.0 79.1-123.3 1.9 64.0 78.1 -3.5 75 70 L D E < +BC 24 72A 86 -3,-2.4 -3,-2.0 -51,-0.2 2,-0.3 -0.952 52.6 164.5-121.8 121.3 61.4 80.7 -3.5 76 71 L F E -BC 23 71A 0 -53,-2.4 -53,-2.2 -2,-0.5 2,-0.3 -0.906 16.0-161.6-132.8 157.9 57.7 80.0 -3.2 77 72 L T E -BC 22 70A 27 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.4 -1.000 4.9-161.9-142.2 139.1 54.4 81.8 -2.4 78 73 L L E -BC 21 69A 1 -57,-2.9 -57,-2.5 -2,-0.3 2,-0.4 -0.940 16.1-163.3-117.4 141.6 51.0 80.8 -1.3 79 74 L K E -BC 20 68A 62 -11,-3.2 -11,-1.7 -2,-0.4 2,-0.6 -0.990 14.5-162.6-134.4 135.8 48.1 83.2 -1.8 80 75 L I E -BC 19 67A 1 -61,-2.6 -61,-2.4 -2,-0.4 2,-0.3 -0.953 16.7-155.4-114.1 109.8 44.6 83.4 -0.3 81 76 L S S S+ 0 0 44 -15,-2.3 -63,-0.2 -2,-0.6 -64,-0.1 -0.695 74.0 4.1 -86.9 139.1 42.3 85.6 -2.4 82 77 L R S S- 0 0 148 -66,-0.4 -1,-0.2 -2,-0.3 -65,-0.2 0.967 90.5-133.8 50.9 81.5 39.4 87.1 -0.5 83 78 L V - 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