==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 17-OCT-01 1K6Q . COMPND 2 MOLECULE: IMMUNOGLOBULIN FAB D3, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.FAELBER,R.F.KELLEY,D.KIRCHHOFER,Y.A.MULLER . 417 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 3 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 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 3 5 4 6 6 1 1 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 . 0 1 4 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 73 0, 0.0 2,-0.3 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 105.9 16.2 -17.2 46.3 2 2 L I - 0 0 4 93,-0.3 2,-0.3 91,-0.2 88,-0.1 -0.542 360.0-144.6 -66.4 123.5 16.6 -19.7 43.5 3 3 L K - 0 0 136 -2,-0.3 23,-2.0 2,-0.0 2,-0.5 -0.676 5.0-146.3 -94.3 150.2 19.5 -18.6 41.3 4 4 L M E -A 25 0A 19 94,-0.3 2,-0.7 -2,-0.3 96,-0.3 -0.951 6.1-163.7-120.8 118.0 19.5 -19.0 37.5 5 5 L T E -A 24 0A 99 19,-3.5 19,-3.2 -2,-0.5 2,-0.4 -0.874 12.8-168.4-102.1 116.8 22.7 -19.6 35.5 6 6 L Q E -A 23 0A 13 -2,-0.7 17,-0.3 17,-0.3 94,-0.1 -0.816 15.8-123.3-105.1 141.3 22.2 -19.0 31.9 7 7 L S E +A 22 0A 59 15,-4.6 15,-4.0 -2,-0.4 2,-0.1 -0.998 69.4 17.6-148.3 141.9 24.7 -20.1 29.2 8 8 L P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.644 57.7-150.7 -87.1 170.2 26.4 -18.8 27.0 9 9 L S S S- 0 0 89 1,-0.2 94,-3.0 93,-0.2 2,-0.3 0.895 80.2 -4.7 -71.1 -40.9 26.5 -15.1 27.4 10 10 L S E S+d 103 0B 65 92,-0.3 2,-0.3 75,-0.1 -1,-0.2 -0.972 71.0 163.1-149.8 156.3 26.9 -14.4 23.7 11 11 L M E -d 104 0B 35 92,-2.0 94,-2.9 -2,-0.3 2,-0.3 -0.979 18.6-146.6-168.8 162.9 27.2 -16.5 20.5 12 12 L S E +d 105 0B 55 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.980 13.6 172.3-140.7 152.0 27.0 -16.6 16.7 13 13 L A E -d 106 0B 1 92,-1.2 94,-4.0 -2,-0.3 2,-0.3 -0.944 34.2-106.1-149.8 161.9 26.0 -19.1 14.1 14 14 L S > - 0 0 47 -2,-0.3 3,-2.1 92,-0.2 64,-0.2 -0.663 55.5 -76.9 -92.5 152.5 25.5 -19.0 10.3 15 15 L L T 3 S+ 0 0 95 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 -0.034 120.8 25.2 -45.1 147.1 22.0 -19.2 8.8 16 16 L G T 3 S+ 0 0 45 62,-1.6 -1,-0.3 1,-0.3 63,-0.1 -0.093 96.7 114.5 86.5 -39.6 20.5 -22.6 8.8 17 17 L E < - 0 0 88 -3,-2.1 61,-2.6 -2,-0.4 2,-0.4 -0.038 64.7-128.6 -54.5 168.4 22.8 -23.6 11.7 18 18 L S - 0 0 70 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.985 18.2-158.8-126.8 137.8 21.0 -24.4 15.0 19 19 L V E - B 0 75A 10 56,-1.9 56,-2.4 -2,-0.4 2,-0.4 -0.881 2.6-154.6-116.9 149.0 21.9 -22.9 18.4 20 20 L T E - B 0 74A 73 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.991 8.1-168.4-126.2 126.3 21.2 -24.2 21.9 21 21 L I E - B 0 73A 0 52,-2.9 52,-3.2 -2,-0.4 2,-0.3 -0.905 10.4-158.2-113.4 140.3 21.0 -22.0 24.9 22 22 L T E -AB 7 72A 60 -15,-4.0 -15,-4.6 -2,-0.4 2,-0.3 -0.884 15.8-175.5-127.2 158.5 20.9 -23.3 28.5 23 23 L a E -AB 6 71A 1 48,-1.8 48,-2.3 -2,-0.3 2,-0.4 -0.990 8.3-164.2-142.8 135.9 19.8 -22.2 31.9 24 24 L K E -AB 5 70A 104 -19,-3.2 -19,-3.5 -2,-0.3 2,-0.3 -0.982 11.4-143.8-126.7 137.7 20.3 -24.1 35.1 25 25 L A E -A 4 0A 3 44,-2.5 -21,-0.2 -2,-0.4 4,-0.1 -0.707 22.9-120.8 -99.2 151.1 18.4 -23.4 38.4 26 26 L S S S+ 0 0 61 -23,-2.0 2,-0.3 -2,-0.3 -22,-0.1 0.548 96.9 9.2 -68.1 -7.7 19.9 -23.6 41.9 27 27 L R S S- 0 0 118 -24,-0.2 2,-0.3 41,-0.1 -2,-0.1 -0.973 102.9 -63.2-163.3 165.8 17.2 -26.2 42.6 28 28 L D + 0 0 81 -2,-0.3 41,-0.2 1,-0.2 -2,-0.1 -0.362 41.2 176.9 -59.3 115.7 14.5 -28.3 41.0 29 29 L I > - 0 0 4 39,-2.5 3,-1.8 -2,-0.3 -1,-0.2 0.366 38.9-128.0-104.2 7.1 11.9 -25.9 39.6 30 30 L K T 3 - 0 0 148 38,-0.6 39,-0.1 1,-0.3 3,-0.1 0.893 66.4 -55.9 53.5 46.6 9.8 -28.7 38.1 31 31 L S T 3 S+ 0 0 40 37,-0.4 2,-2.3 1,-0.2 -1,-0.3 0.538 95.7 137.6 66.9 4.4 9.6 -27.3 34.6 32 32 L Y < + 0 0 106 -3,-1.8 59,-2.6 18,-0.2 60,-0.3 -0.478 42.3 116.6 -80.2 70.9 8.1 -23.9 35.9 33 33 L L E -E 90 0B 0 -2,-2.3 18,-2.4 57,-0.2 2,-0.3 -0.950 43.7-169.7-139.9 151.6 10.4 -22.1 33.5 34 34 L S E -E 89 0B 1 55,-2.1 55,-2.2 -2,-0.3 2,-0.3 -0.991 12.5-138.2-145.6 153.7 9.9 -19.9 30.5 35 35 L W E -EF 88 48B 0 13,-1.5 12,-3.5 -2,-0.3 13,-1.2 -0.851 16.6-167.3-112.9 149.5 11.9 -18.4 27.7 36 36 L Y E -EF 87 46B 0 51,-2.9 51,-1.8 -2,-0.3 2,-0.4 -0.950 12.0-147.7-133.6 155.1 11.8 -14.9 26.3 37 37 L Q E -EF 86 45B 7 8,-2.3 8,-2.5 -2,-0.3 2,-0.4 -0.948 14.3-174.9-118.2 137.3 13.1 -13.0 23.2 38 38 L Q E -E 85 0B 13 47,-2.4 47,-2.1 -2,-0.4 3,-0.1 -0.955 4.4-165.6-136.3 120.3 14.0 -9.4 23.3 39 39 L K > - 0 0 42 4,-0.5 3,-1.0 -2,-0.4 45,-0.1 -0.572 46.0 -62.6 -95.3 166.6 15.1 -7.4 20.3 40 40 L P T 3 S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.076 116.2 -4.4 -48.6 140.6 16.7 -3.9 20.5 41 41 L W T 3 S+ 0 0 182 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.858 114.8 109.2 38.9 47.6 14.8 -1.0 22.0 42 42 L K S < S- 0 0 102 -3,-1.0 -1,-0.2 0, 0.0 273,-0.0 -0.960 72.7-105.0-145.5 160.6 11.8 -3.4 22.3 43 43 L S - 0 0 39 -2,-0.3 -4,-0.5 1,-0.1 272,-0.1 -0.475 48.1 -91.4 -84.0 158.6 9.9 -5.1 25.1 44 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.345 34.4-151.5 -71.1 156.7 10.4 -8.9 25.7 45 45 L K E -F 37 0B 84 -8,-2.5 -8,-2.3 267,-0.0 266,-0.1 -0.996 22.3-111.5-131.2 125.1 8.1 -11.5 24.0 46 46 L T E +F 36 0B 14 264,-0.4 -10,-0.2 -2,-0.4 9,-0.1 -0.283 35.1 171.8 -57.2 133.7 7.3 -14.9 25.5 47 47 L L E + 0 0 0 -12,-3.5 8,-1.5 1,-0.5 2,-0.3 0.779 62.5 0.4-110.4 -44.0 8.8 -17.9 23.6 48 48 L I E -FG 35 54B 0 -13,-1.2 -13,-1.5 6,-0.2 -1,-0.5 -0.956 57.5-167.5-145.4 155.5 8.1 -21.0 25.7 49 49 L Y E > S+ G 0 53B 52 4,-2.0 4,-2.1 -2,-0.3 3,-0.4 -0.932 71.9 27.5-141.6 161.6 6.4 -21.7 29.0 50 50 L Y T 4 S- 0 0 102 258,-0.5 2,-3.8 -2,-0.3 3,-0.3 0.932 122.4 -79.7 48.1 47.8 6.3 -24.8 31.3 51 51 L A T 4 S+ 0 0 1 -18,-2.4 -1,-0.3 1,-0.2 21,-0.2 -0.019 128.5 34.3 59.4 -41.8 9.8 -25.6 29.9 52 52 L T T 4 S+ 0 0 82 -2,-3.8 12,-0.5 -3,-0.4 2,-0.4 0.617 85.9 104.3-120.9 -15.6 8.4 -27.1 26.6 53 53 L S E < -G 49 0B 41 -4,-2.1 -4,-2.0 -3,-0.3 2,-0.2 -0.555 60.4-136.7 -76.5 125.0 5.2 -25.3 25.5 54 54 L L E -G 48 0B 62 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.500 20.7-122.2 -75.7 149.7 5.4 -22.8 22.6 55 55 L A > - 0 0 12 -8,-1.5 3,-1.9 1,-0.2 -1,-0.1 -0.497 43.7 -75.1 -88.3 160.0 3.6 -19.5 23.0 56 56 L D T 3 S+ 0 0 140 1,-0.3 -1,-0.2 -2,-0.2 -10,-0.0 -0.172 118.2 16.7 -55.7 146.1 1.0 -18.4 20.5 57 57 L G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.395 95.2 134.8 72.7 -4.4 2.2 -17.2 17.1 58 58 L V < - 0 0 19 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.1 -0.619 55.1-117.4 -83.9 133.9 5.6 -18.8 17.9 59 59 L P > - 0 0 46 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 -0.064 14.8-119.9 -62.7 165.5 7.3 -20.9 15.1 60 60 L S T 3 S+ 0 0 108 1,-0.2 16,-0.1 -6,-0.0 -2,-0.0 0.804 104.6 74.1 -75.1 -36.0 8.1 -24.6 15.3 61 61 L R T 3 S+ 0 0 31 14,-0.1 15,-1.9 16,-0.1 2,-0.5 0.476 85.1 76.1 -61.4 -1.3 11.8 -24.1 14.9 62 62 L F E < +C 75 0A 4 -3,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.964 66.3 167.1-109.6 122.3 11.9 -22.8 18.5 63 63 L S E -C 74 0A 58 11,-2.9 11,-3.0 -2,-0.5 2,-0.4 -0.986 24.9-141.9-140.4 153.3 11.7 -25.7 21.0 64 64 L G E +C 73 0A 12 -12,-0.5 2,-0.2 -2,-0.3 9,-0.2 -0.924 21.1 170.3-117.7 137.5 12.2 -26.2 24.7 65 65 L S E +C 72 0A 49 7,-2.2 7,-2.0 -2,-0.4 2,-0.1 -0.769 26.4 66.8-131.3 178.6 13.8 -29.2 26.6 66 66 L G E -C 71 0A 36 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.288 41.3-150.4 102.2 175.0 14.9 -30.2 30.0 67 67 L S E > +C 70 0A 79 3,-1.6 3,-1.8 -2,-0.1 2,-1.0 -0.946 61.9 26.2-172.5 170.6 13.5 -30.9 33.4 68 68 L G T 3 S- 0 0 24 -2,-0.3 -39,-2.5 1,-0.3 -38,-0.6 -0.507 130.7 -24.3 68.8-100.2 14.5 -30.7 37.1 69 69 L Q T 3 S+ 0 0 70 -2,-1.0 -44,-2.5 -41,-0.2 2,-0.5 0.447 123.1 79.2-123.1 -11.2 17.2 -28.0 37.3 70 70 L D E < +BC 24 67A 89 -3,-1.8 -3,-1.6 -46,-0.2 2,-0.3 -0.917 52.6 164.6-113.4 129.9 18.4 -28.1 33.7 71 71 L Y E -BC 23 66A 6 -48,-2.3 -48,-1.8 -2,-0.5 2,-0.3 -0.920 11.9-166.8-138.6 157.3 16.7 -26.5 30.8 72 72 L S E -BC 22 65A 19 -7,-2.0 -7,-2.2 -2,-0.3 2,-0.5 -0.998 15.5-147.2-151.9 148.0 17.5 -25.5 27.2 73 73 L L E -BC 21 64A 0 -52,-3.2 -52,-2.9 -2,-0.3 2,-0.5 -0.947 20.6-168.1-110.2 126.2 16.2 -23.4 24.3 74 74 L T E -BC 20 63A 31 -11,-3.0 -11,-2.9 -2,-0.5 2,-0.6 -0.962 12.7-173.2-120.3 134.7 16.9 -24.8 20.9 75 75 L I E -BC 19 62A 0 -56,-2.4 -56,-1.9 -2,-0.5 3,-0.3 -0.963 11.2-173.3-121.6 104.7 16.4 -22.8 17.7 76 76 L S + 0 0 60 -15,-1.9 2,-1.3 -2,-0.6 -1,-0.2 0.991 69.3 34.1 -66.7 -79.7 17.0 -25.2 14.9 77 77 L S S S- 0 0 69 -59,-0.1 -1,-0.2 -62,-0.1 -59,-0.2 -0.606 87.4-140.5 -86.6 91.0 17.0 -23.4 11.5 78 78 L L - 0 0 4 -61,-2.6 -62,-1.6 -2,-1.3 2,-0.4 -0.163 15.8-161.9 -52.7 123.2 18.5 -19.9 12.3 79 79 L E > - 0 0 95 -64,-0.2 3,-3.7 1,-0.1 4,-0.2 -0.876 29.0-121.1-111.0 141.5 16.9 -16.9 10.6 80 80 L S G > S+ 0 0 26 -2,-0.4 3,-0.8 1,-0.3 26,-0.2 0.716 114.8 59.8 -50.0 -22.0 18.5 -13.4 10.3 81 81 L D G 3 S+ 0 0 61 1,-0.2 -1,-0.3 88,-0.1 87,-0.1 0.371 84.1 81.5 -88.9 6.6 15.6 -12.0 12.2 82 82 L D G < + 0 0 2 -3,-3.7 2,-0.3 86,-0.2 -1,-0.2 0.484 59.7 123.5 -86.5 -2.2 16.5 -14.2 15.1 83 83 L T < + 0 0 16 -3,-0.8 2,-0.3 -4,-0.2 22,-0.2 -0.460 44.9 94.8 -61.8 120.8 19.2 -11.7 16.2 84 84 L A E S- H 0 104B 6 20,-1.6 20,-3.1 -2,-0.3 2,-0.4 -0.963 75.0 -82.5 178.8-172.0 18.3 -10.8 19.8 85 85 L T E -EH 38 103B 32 -47,-2.1 -47,-2.4 -2,-0.3 2,-0.4 -0.964 37.9-153.6-119.1 137.4 18.9 -11.5 23.4 86 86 L Y E -EH 37 102B 0 16,-2.5 16,-1.9 -2,-0.4 2,-0.3 -0.909 9.0-169.8-115.9 142.0 17.1 -14.4 25.1 87 87 L Y E -E 36 0B 8 -51,-1.8 -51,-2.9 -2,-0.4 2,-0.3 -0.968 10.9-151.6-130.0 145.0 16.2 -14.8 28.8 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.3 -53,-0.2 2,-0.4 -0.779 14.8-163.6-107.6 156.2 14.9 -17.7 30.8 89 89 L L E -EI 34 98B 3 -55,-2.2 -55,-2.1 -2,-0.3 2,-0.4 -0.996 6.2-147.5-140.8 136.4 12.8 -17.0 33.9 90 90 L Q E +EI 33 97B 0 7,-2.5 7,-1.3 -2,-0.4 -57,-0.2 -0.909 20.1 173.4-111.8 137.1 11.9 -19.3 36.7 91 91 L H + 0 0 14 -59,-2.6 3,-0.2 -2,-0.4 -58,-0.1 -0.122 44.8 119.5-124.6 33.0 8.7 -19.3 38.6 92 92 L G S S- 0 0 31 -60,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.838 93.7 -9.1 -64.6 -32.7 9.4 -22.5 40.7 93 93 L E S S- 0 0 66 -61,-0.1 -1,-0.3 2,-0.1 -91,-0.2 -0.967 91.9 -63.7-165.0 152.0 9.1 -20.0 43.5 94 94 L S S S+ 0 0 48 -2,-0.3 2,-0.1 -3,-0.2 172,-0.1 -0.619 106.5 52.0 -82.8 142.8 8.8 -16.4 44.4 95 95 L P S S- 0 0 25 0, 0.0 -93,-0.3 0, 0.0 -2,-0.1 0.435 89.2-147.7 -73.9 143.0 10.6 -14.3 44.0 96 96 L F - 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