==== 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 COMPLEX (ANTIBODY/PEPTIDE) 06-NOV-96 1AI1 . COMPND 2 MOLECULE: IGG1-KAPPA 59.1 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.B.GHIARA,I.A.WILSON . 446 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 50 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 2 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 1 0 0 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 . 2 3 5 2 4 8 2 2 0 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 . 2 1 5 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 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 0 119 0, 0.0 2,-0.5 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 165.8 59.7 62.7 9.2 2 2 L I - 0 0 0 97,-0.3 2,-0.5 95,-0.2 92,-0.2 -0.694 360.0-150.1 -81.4 124.6 57.5 63.9 12.0 3 3 L V - 0 0 75 -2,-0.5 23,-1.6 98,-0.0 2,-0.6 -0.821 5.3-149.4 -94.8 129.4 57.1 61.0 14.3 4 4 L M E -A 25 0A 10 98,-0.6 2,-0.5 -2,-0.5 100,-0.4 -0.909 10.6-165.9-103.6 126.7 53.8 61.0 16.2 5 5 L T E -A 24 0A 87 19,-3.0 19,-2.3 -2,-0.6 2,-0.3 -0.950 4.5-159.2-116.1 120.6 53.8 59.5 19.6 6 6 L Q E -A 23 0A 22 -2,-0.5 17,-0.2 17,-0.2 98,-0.1 -0.679 11.4-132.5 -98.5 150.9 50.6 58.7 21.4 7 7 L S E S+A 22 0A 68 15,-2.3 15,-2.4 -2,-0.3 2,-0.2 -0.975 75.8 32.2-154.9 135.6 50.0 58.2 25.1 8 8 L P - 0 0 41 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.616 66.6-149.4 -74.5 170.4 48.6 56.2 26.8 9 9 L A S S- 0 0 77 1,-0.3 98,-1.3 -2,-0.2 2,-0.3 0.645 80.2 -15.9 -79.8 -18.4 49.0 53.1 24.8 10 10 L S E -d 107 0B 67 96,-0.2 -1,-0.3 79,-0.0 2,-0.3 -0.883 68.1-174.8-176.8 152.9 45.7 51.8 26.1 11 11 L L E -d 108 0B 36 96,-1.8 98,-2.1 -2,-0.3 2,-0.6 -0.990 23.7-135.5-157.6 155.6 43.4 52.7 29.0 12 12 L V E -d 109 0B 81 -2,-0.3 2,-0.4 96,-0.2 98,-0.2 -0.959 29.4-179.3-115.6 109.4 40.3 51.5 30.7 13 13 L V E -d 110 0B 14 96,-1.4 98,-2.1 -2,-0.6 2,-0.3 -0.884 25.3-120.1-112.7 144.6 38.0 54.5 31.4 14 14 L S E > -d 111 0B 39 -2,-0.4 3,-2.4 96,-0.3 68,-0.3 -0.610 37.8 -87.9 -86.4 144.4 34.7 54.0 33.2 15 15 L L T 3 S+ 0 0 72 96,-2.1 68,-0.2 1,-0.3 -1,-0.1 -0.098 115.7 18.1 -46.4 136.3 31.4 55.0 31.6 16 16 L G T 3 S+ 0 0 41 66,-1.7 -1,-0.3 1,-0.3 67,-0.1 0.010 107.1 105.8 88.2 -29.8 30.5 58.6 32.3 17 17 L Q S < S- 0 0 109 -3,-2.4 65,-2.9 64,-0.2 2,-0.4 0.093 73.4-105.5 -71.1-172.5 34.1 59.4 33.1 18 18 L R - 0 0 133 63,-0.2 2,-0.4 62,-0.2 62,-0.2 -0.921 21.1-156.8-122.3 149.7 36.5 61.2 30.9 19 19 L A E - B 0 79A 2 60,-2.4 60,-2.7 -2,-0.4 2,-0.5 -0.977 2.6-163.3-125.7 133.8 39.4 59.9 28.9 20 20 L T E + B 0 78A 70 -2,-0.4 2,-0.3 58,-0.2 58,-0.2 -0.920 10.7 179.5-122.3 99.6 42.3 62.1 27.9 21 21 L I E - B 0 77A 0 56,-2.3 56,-3.2 -2,-0.5 2,-0.3 -0.736 12.1-160.6 -95.8 145.6 44.4 60.7 25.0 22 22 L S E -AB 7 76A 35 -15,-2.4 -15,-2.3 -2,-0.3 2,-0.4 -0.975 12.2-162.4-134.0 152.0 47.3 62.8 23.8 23 23 L a E -AB 6 75A 1 52,-3.1 52,-2.1 -2,-0.3 2,-0.4 -0.994 8.0-168.9-135.6 127.2 49.5 62.9 20.7 24 24 L R E -AB 5 74A 139 -19,-2.3 -19,-3.0 -2,-0.4 2,-0.4 -0.922 8.3-148.6-121.7 142.7 52.9 64.6 20.4 25 25 L A E -A 4 0A 7 48,-1.6 -21,-0.2 -2,-0.4 4,-0.1 -0.864 16.9-136.3-111.6 144.0 54.9 65.4 17.3 26 26 L S S S+ 0 0 72 -23,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.738 93.7 19.3 -67.1 -22.3 58.7 65.5 17.0 27 27 L E S S- 0 0 113 -24,-0.2 -1,-0.1 45,-0.1 -25,-0.0 -0.985 103.9 -74.7-147.9 149.4 58.5 68.7 15.0 28 27AL S - 0 0 32 -2,-0.3 45,-0.2 1,-0.1 -2,-0.1 -0.159 27.1-161.9 -48.6 127.8 55.8 71.3 14.6 29 27BL V + 0 0 0 43,-1.8 7,-2.7 -4,-0.1 2,-0.3 -0.129 53.6 122.4-102.3 36.1 53.0 70.3 12.4 30 27CL D E +J 35 0C 46 5,-0.2 2,-0.3 41,-0.1 5,-0.2 -0.776 22.5 138.0-104.7 147.9 52.0 74.0 11.9 31 27DL S E > +J 34 0C 17 3,-2.1 3,-3.2 -2,-0.3 410,-0.1 -0.929 64.4 25.6-173.9 161.5 51.7 76.1 8.8 32 28 L Y T 3 S- 0 0 167 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.752 130.2 -66.2 41.6 32.1 49.3 78.8 7.4 33 29 L G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.538 116.9 90.2 72.3 9.8 48.6 79.5 11.0 34 30 L K E < S-J 31 0C 113 -3,-3.2 -3,-2.1 37,-0.0 2,-0.6 -0.767 76.7-111.9-129.1 172.9 46.9 76.1 11.8 35 31 L S E -J 30 0C 11 19,-0.3 2,-1.5 -2,-0.2 -5,-0.2 -0.953 22.5-151.4-109.4 116.3 48.0 72.7 13.0 36 32 L F + 0 0 5 -7,-2.7 59,-2.5 -2,-0.6 60,-0.4 -0.610 55.1 110.7 -93.5 79.1 47.6 70.1 10.4 37 33 L M E -E 94 0B 0 -2,-1.5 18,-3.3 57,-0.2 2,-0.2 -0.980 43.3-169.0-145.7 138.1 47.0 67.1 12.5 38 34 L H E -E 93 0B 0 55,-1.6 55,-1.9 -2,-0.3 2,-0.4 -0.780 16.7-127.8-125.3 173.4 43.7 65.2 12.8 39 35 L W E -EF 92 52B 0 13,-2.9 12,-3.0 -2,-0.2 13,-1.4 -0.989 22.0-171.5-127.2 129.8 42.2 62.4 15.0 40 36 L Y E -EF 91 50B 0 51,-2.4 51,-1.7 -2,-0.4 2,-0.3 -0.746 9.5-150.7-113.4 167.2 40.6 59.2 13.6 41 37 L Q E -EF 90 49B 8 8,-1.9 8,-1.8 -2,-0.3 2,-0.4 -0.971 6.6-163.4-134.1 144.2 38.7 56.5 15.4 42 38 L Q E -E 89 0B 15 47,-2.5 47,-1.3 -2,-0.3 3,-0.1 -0.792 2.8-165.6-137.0 100.4 38.6 52.9 14.3 43 39 L K - 0 0 37 -2,-0.4 3,-0.4 4,-0.3 45,-0.1 -0.356 52.4 -75.3 -70.9 161.2 36.0 50.5 15.6 44 40 L P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 125,-0.0 -0.403 116.5 9.1 -61.5 138.0 36.9 46.9 14.8 45 41 L G S S+ 0 0 70 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.989 109.6 104.0 56.4 62.1 36.5 45.8 11.2 46 42 L Q S S- 0 0 97 -3,-0.4 -1,-0.2 -4,-0.0 3,-0.1 -0.939 77.1-111.1-168.4 137.1 35.8 49.3 10.1 47 43 L P - 0 0 32 0, 0.0 -4,-0.3 0, 0.0 -6,-0.1 -0.532 51.9 -91.1 -72.2 156.4 37.9 51.8 8.3 48 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.196 41.1-149.3 -60.8 163.1 38.9 54.7 10.6 49 45 L K E -F 41 0B 97 -8,-1.8 -8,-1.9 -3,-0.1 2,-0.2 -0.974 22.0-106.0-132.8 145.5 36.5 57.7 10.5 50 46 L V E +F 40 0B 10 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.529 38.5 169.4 -71.0 138.4 37.6 61.3 11.0 51 47 L L E + 0 0 2 -12,-3.0 8,-2.6 1,-0.4 2,-0.4 0.713 68.4 8.0-111.8 -49.4 36.6 62.7 14.4 52 48 L I E -FG 39 58B 0 -13,-1.4 -13,-2.9 6,-0.2 -1,-0.4 -0.991 67.0-163.5-138.0 137.8 38.5 65.9 14.6 53 49 L Y E > + G 0 57B 51 4,-2.4 4,-1.6 -2,-0.4 3,-0.5 -0.882 65.9 14.5-127.0 156.8 40.5 67.8 12.0 54 50 L I T 4 S- 0 0 14 -2,-0.3 2,-2.5 1,-0.3 3,-0.4 0.948 122.4 -70.1 49.8 50.1 43.1 70.5 11.9 55 51 L A T 4 S+ 0 0 4 -18,-3.3 -1,-0.3 -3,-0.2 21,-0.1 -0.167 126.6 22.7 70.3 -47.3 43.6 70.1 15.6 56 52 L S T 4 S+ 0 0 73 -2,-2.5 12,-0.3 -3,-0.5 2,-0.3 0.583 88.2 106.2-129.7 -10.1 40.3 71.4 17.0 57 53 L N E < -G 53 0B 76 -4,-1.6 -4,-2.4 -3,-0.4 2,-0.4 -0.550 59.3-137.2 -76.2 141.0 37.6 71.3 14.4 58 54 L L E -G 52 0B 66 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.766 13.9-126.0-100.7 134.6 34.9 68.6 14.8 59 55 L E > - 0 0 52 -8,-2.6 3,-1.2 -2,-0.4 -1,-0.0 -0.426 41.2 -94.0 -72.9 154.5 33.7 66.6 11.9 60 56 L S T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 2,-0.0 -0.292 111.6 29.7 -63.6 154.7 29.9 66.8 11.5 61 57 L G T 3 S+ 0 0 70 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.021 88.6 118.7 84.1 -32.0 28.1 63.9 13.1 62 58 L V S < S- 0 0 11 -3,-1.2 -1,-0.3 -11,-0.2 4,-0.1 -0.570 72.0-111.6 -72.6 129.9 30.8 63.5 15.7 63 59 L P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.122 21.1-113.4 -57.2 157.2 29.2 64.1 19.2 64 60 L A T 3 S+ 0 0 97 1,-0.3 -2,-0.1 -6,-0.0 16,-0.0 0.481 105.2 78.4 -72.1 -7.6 30.1 67.2 21.3 65 61 L R T 3 S+ 0 0 34 16,-0.1 15,-2.2 14,-0.1 2,-0.4 0.370 80.8 81.8 -82.1 -0.1 31.8 65.2 24.0 66 62 L F E < +C 79 0A 4 -3,-1.2 2,-0.3 13,-0.2 13,-0.2 -0.829 55.9 154.5-100.6 144.4 34.8 64.9 21.7 67 63 L S E -C 78 0A 56 11,-1.3 11,-2.3 -2,-0.4 2,-0.3 -0.798 19.4-169.6-171.8 128.6 37.2 67.8 21.6 68 64 L G E +C 77 0A 9 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.765 11.8 166.7-116.0 168.6 40.8 68.1 20.8 69 65 L S E +C 76 0A 65 7,-1.4 7,-2.4 -2,-0.3 2,-0.2 -0.926 19.9 102.6-164.8 177.6 43.0 71.1 21.3 70 66 L G E -C 75 0A 36 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.577 41.0-137.4 121.5 171.0 46.7 71.8 21.3 71 67 L S E > +C 74 0A 70 3,-1.5 3,-2.4 -2,-0.2 2,-1.5 -0.982 61.1 0.9-161.8 165.1 49.2 73.4 18.9 72 68 L R T 3 S- 0 0 154 -2,-0.3 -43,-1.8 1,-0.3 -45,-0.1 -0.349 134.2 -12.0 52.7 -87.0 52.7 73.0 17.4 73 69 L T T 3 S+ 0 0 45 -2,-1.5 -48,-1.6 -45,-0.2 2,-0.6 0.480 120.9 73.5-124.2 -2.6 53.7 69.8 19.1 74 70 L D E < +BC 24 71A 74 -3,-2.4 -3,-1.5 -50,-0.2 2,-0.3 -0.935 51.9 166.6-122.5 118.5 51.3 69.1 21.8 75 71 L F E -BC 23 70A 1 -52,-2.1 -52,-3.1 -2,-0.6 2,-0.4 -0.957 12.2-167.6-129.2 145.6 47.8 67.8 21.0 76 72 L T E -BC 22 69A 38 -7,-2.4 -7,-1.4 -2,-0.3 2,-0.5 -0.988 10.2-158.8-136.1 137.3 45.1 66.2 23.2 77 73 L L E -BC 21 68A 0 -56,-3.2 -56,-2.3 -2,-0.4 2,-0.4 -0.965 18.5-169.2-112.2 134.0 41.8 64.4 22.4 78 74 L T E -BC 20 67A 27 -11,-2.3 -11,-1.3 -2,-0.5 2,-0.5 -0.957 11.4-166.8-126.1 138.4 39.4 64.4 25.3 79 75 L I E -BC 19 66A 0 -60,-2.7 -60,-2.4 -2,-0.4 3,-0.4 -0.972 13.9-165.2-127.8 111.2 36.2 62.3 25.5 80 76 L D S S+ 0 0 67 -15,-2.2 -62,-0.2 -2,-0.5 -63,-0.1 -0.837 75.5 19.8-147.4 115.2 33.9 63.4 28.3 81 77 L P S S- 0 0 46 0, 0.0 -1,-0.4 0, 0.0 -63,-0.2 0.317 86.3-143.5 -92.4 145.2 31.8 61.6 29.0 82 78 L V - 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