==== 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 COMPLEX (IMMUNOGLOBULIN/HYDROLASE) 23-OCT-96 1KIQ . COMPND 2 MOLECULE: MONOCLONAL ANTIBODY D1.3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.A.FIELDS,R.J.POLJAK,R.A.MARIUZZA . 352 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 2 6 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 A D 0 0 122 0, 0.0 2,-0.5 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 161.7 25.1 -0.7 -2.0 2 2 A I - 0 0 33 93,-0.4 2,-0.4 90,-0.2 88,-0.1 -0.785 360.0-158.8 -83.2 121.8 27.9 1.6 -0.9 3 3 A V - 0 0 82 -2,-0.5 23,-2.7 94,-0.0 2,-0.5 -0.855 5.4-140.9-102.7 145.3 27.5 4.7 -3.1 4 4 A L E -A 25 0A 11 -2,-0.4 2,-0.7 94,-0.4 96,-0.4 -0.948 5.1-158.0-111.6 132.8 30.4 7.2 -3.7 5 5 A T E -A 24 0A 62 19,-2.8 19,-2.4 -2,-0.5 2,-0.4 -0.916 17.2-171.5-109.7 103.5 29.8 11.0 -3.9 6 6 A Q E -A 23 0A 22 -2,-0.7 17,-0.2 17,-0.2 94,-0.1 -0.867 13.5-130.5 -98.6 141.0 32.7 12.6 -5.8 7 7 A S E +A 22 0A 53 15,-2.1 15,-2.8 -2,-0.4 2,-0.1 -0.989 65.9 28.2-153.5 154.0 33.1 16.4 -6.1 8 8 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.635 57.8-151.7 -82.7 168.0 33.6 18.7 -7.7 9 9 A A S S+ 0 0 81 1,-0.2 94,-2.4 93,-0.2 2,-0.3 0.823 83.5 11.5 -67.7 -33.4 32.1 17.6 -11.1 10 10 A S E -d 103 0B 56 92,-0.2 2,-0.3 75,-0.0 94,-0.2 -0.981 63.4-169.7-145.6 155.2 34.6 19.9 -12.8 11 11 A L E -d 104 0B 31 92,-2.2 94,-3.7 -2,-0.3 2,-0.5 -0.987 8.4-155.9-149.1 133.6 37.7 21.9 -12.0 12 12 A S E +d 105 0B 73 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.949 30.0 157.0-114.0 129.2 39.6 24.5 -14.0 13 13 A A E -d 106 0B 0 92,-2.9 94,-2.5 -2,-0.5 2,-0.3 -0.971 35.0-121.1-152.2 164.8 43.2 24.9 -13.2 14 14 A S > - 0 0 37 -2,-0.3 3,-2.6 92,-0.2 64,-0.3 -0.809 43.4 -89.0-107.1 152.6 46.6 26.1 -14.4 15 15 A V T 3 S+ 0 0 80 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.265 117.4 32.0 -56.4 134.1 49.8 24.2 -14.7 16 16 A G T 3 S+ 0 0 46 62,-2.6 61,-0.4 1,-0.4 -1,-0.3 0.194 93.4 119.4 100.0 -20.0 51.6 24.5 -11.4 17 17 A E < - 0 0 56 -3,-2.6 61,-2.7 60,-0.1 2,-0.5 -0.261 60.1-130.1 -74.0 165.5 48.5 24.7 -9.3 18 18 A T - 0 0 70 59,-0.2 2,-0.3 58,-0.2 58,-0.2 -0.972 28.9-175.6-118.4 130.2 47.6 22.2 -6.6 19 19 A V E - B 0 75A 10 56,-1.7 56,-2.6 -2,-0.5 2,-0.4 -0.880 14.9-148.9-124.9 162.8 44.1 20.6 -6.7 20 20 A T E - B 0 74A 70 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.998 5.8-167.3-134.9 127.5 42.0 18.3 -4.5 21 21 A I E - B 0 73A 1 52,-3.1 52,-2.5 -2,-0.4 2,-0.3 -0.932 15.9-153.1-114.6 138.5 39.4 15.8 -5.6 22 22 A T E -AB 7 72A 35 -15,-2.8 -15,-2.1 -2,-0.4 2,-0.4 -0.893 16.1-173.0-120.1 150.1 37.1 14.2 -3.0 23 23 A a E -AB 6 71A 0 48,-2.7 48,-3.3 -2,-0.3 2,-0.5 -0.986 6.3-169.7-137.7 119.6 35.1 11.0 -2.6 24 24 A R E -AB 5 70A 114 -19,-2.4 -19,-2.8 -2,-0.4 2,-0.3 -0.968 13.8-145.6-113.3 126.8 32.8 10.3 0.2 25 25 A A E -A 4 0A 4 44,-2.6 -21,-0.2 -2,-0.5 4,-0.1 -0.743 15.8-133.5 -92.2 142.6 31.3 6.8 0.7 26 26 A S S S+ 0 0 76 -23,-2.7 2,-0.3 -2,-0.3 -22,-0.1 0.602 94.0 19.0 -68.5 -8.7 27.8 6.1 2.0 27 27 A G S S- 0 0 21 -24,-0.3 2,-0.1 41,-0.1 -1,-0.0 -0.983 103.6 -73.2-154.7 161.4 29.4 3.5 4.3 28 28 A N - 0 0 73 -2,-0.3 41,-0.2 1,-0.2 40,-0.1 -0.336 38.6-178.5 -61.7 121.6 32.8 2.7 5.8 29 29 A I > - 0 0 0 39,-1.8 3,-2.3 -2,-0.1 62,-0.2 0.248 34.7-131.1-103.3 3.1 34.9 1.2 3.0 30 30 A H T 3 - 0 0 60 1,-0.3 39,-0.1 38,-0.3 3,-0.1 0.792 65.9 -54.5 53.2 44.9 37.9 0.6 5.3 31 31 A N T 3 S+ 0 0 43 37,-0.4 2,-2.1 1,-0.2 -1,-0.3 0.406 97.1 134.5 71.1 4.2 40.5 2.1 3.0 32 32 A Y < + 0 0 10 -3,-2.3 59,-2.4 18,-0.2 2,-0.4 -0.479 36.0 128.5 -87.2 75.9 39.7 -0.0 -0.1 33 33 A L E -E 90 0B 0 -2,-2.1 18,-2.9 57,-0.2 2,-0.3 -0.988 35.3-174.5-137.8 134.4 39.7 2.8 -2.4 34 34 A A E -E 89 0B 0 55,-2.7 55,-2.2 -2,-0.4 2,-0.4 -0.921 11.9-147.1-121.9 159.7 41.4 3.4 -5.8 35 35 A W E -EF 88 48B 0 13,-2.4 12,-2.6 -2,-0.3 13,-1.3 -0.933 12.9-168.9-129.5 138.0 41.7 6.4 -8.2 36 36 A Y E -EF 87 46B 0 51,-2.3 51,-2.1 -2,-0.4 2,-0.4 -0.959 12.1-145.6-121.9 158.1 42.0 6.2 -12.0 37 37 A Q E -EF 86 45B 9 8,-2.4 8,-1.8 -2,-0.3 2,-0.5 -0.935 12.5-165.6-122.7 133.3 42.8 8.8 -14.5 38 38 A Q E -E 85 0B 18 47,-3.0 47,-2.7 -2,-0.4 2,-0.2 -0.982 3.9-158.7-122.6 124.1 41.1 8.8 -17.9 39 39 A K > - 0 0 76 -2,-0.5 3,-2.1 4,-0.4 45,-0.1 -0.613 44.4 -73.0 -97.2 154.4 42.5 10.8 -20.8 40 40 A Q T 3 S- 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.289 118.0 -0.1 -48.6 124.0 40.4 11.7 -23.8 41 41 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.646 113.9 98.6 68.6 17.6 39.8 8.7 -26.0 42 42 A K S < S- 0 0 140 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.780 75.9 -95.5-125.1 176.1 41.8 6.3 -23.8 43 43 A S - 0 0 32 -2,-0.2 -4,-0.4 1,-0.1 -6,-0.1 -0.577 51.0 -87.8 -91.3 160.1 41.0 3.7 -21.1 44 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.199 43.8-152.9 -64.9 151.9 41.2 4.5 -17.4 45 45 A Q E -F 37 0B 96 -8,-1.8 -8,-2.4 -3,-0.1 2,-0.2 -1.000 18.2-110.6-132.9 137.0 44.6 4.0 -15.9 46 46 A L E +F 36 0B 15 -2,-0.4 -10,-0.2 166,-0.2 3,-0.1 -0.400 40.0 161.4 -70.6 136.9 45.3 3.1 -12.3 47 47 A L E + 0 0 3 -12,-2.6 8,-3.1 1,-0.4 2,-0.3 0.788 64.3 11.5-114.5 -48.9 46.9 5.9 -10.1 48 48 A V E -FG 35 54B 0 -13,-1.3 -13,-2.4 6,-0.3 -1,-0.4 -0.984 59.3-174.0-141.9 135.1 46.4 5.0 -6.5 49 49 A Y E > + G 0 53B 30 4,-2.2 4,-2.0 -2,-0.3 3,-0.4 -0.928 68.7 21.9-129.0 159.3 45.1 1.9 -4.7 50 50 A Y T 4 S- 0 0 30 159,-0.4 2,-2.3 -2,-0.3 -16,-0.2 0.912 122.7 -75.1 47.3 53.0 44.3 1.1 -1.0 51 51 A T T 4 S+ 0 0 3 -18,-2.9 -1,-0.2 1,-0.2 21,-0.1 -0.202 127.1 29.2 64.5 -52.6 43.9 4.9 -0.4 52 52 A T T 4 S+ 0 0 81 -2,-2.3 2,-0.6 -3,-0.4 12,-0.3 0.398 87.3 109.6-119.7 -3.4 47.5 6.0 -0.4 53 53 A T E < -G 49 0B 32 -4,-2.0 -4,-2.2 -3,-0.1 2,-0.2 -0.656 56.6-140.0 -90.8 124.5 49.6 3.7 -2.6 54 54 A L E -G 48 0B 50 -2,-0.6 -6,-0.3 -6,-0.2 3,-0.1 -0.518 19.3-122.3 -77.6 138.4 50.9 4.9 -5.9 55 55 A A > - 0 0 15 -8,-3.1 3,-1.7 -2,-0.2 -1,-0.1 -0.318 47.9 -76.4 -68.7 164.7 50.8 2.6 -8.8 56 56 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.2 -2,-0.0 0, 0.0 -0.348 118.4 15.0 -63.5 138.6 54.1 1.8 -10.5 57 57 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.397 90.2 130.6 80.5 -5.9 55.3 4.6 -12.7 58 58 A V < - 0 0 19 -3,-1.7 -1,-0.3 -11,-0.1 2,-0.1 -0.688 61.6-115.4 -83.7 129.2 52.9 7.2 -11.2 59 59 A P > - 0 0 51 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 -0.365 18.2-117.8 -66.3 149.7 54.8 10.4 -10.2 60 60 A S T 3 S+ 0 0 110 1,-0.3 16,-0.1 -2,-0.1 -2,-0.0 0.431 100.7 86.5 -69.0 -0.9 54.9 11.5 -6.6 61 61 A R T 3 S+ 0 0 53 14,-0.1 15,-2.9 16,-0.1 2,-0.3 0.738 79.9 75.5 -70.3 -22.1 53.0 14.6 -7.3 62 62 A F E < +C 75 0A 5 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.687 64.1 172.3 -85.7 134.1 49.8 12.5 -6.9 63 63 A S E -C 74 0A 44 11,-2.3 11,-3.1 -2,-0.3 2,-0.3 -0.982 16.9-150.1-148.8 138.0 48.9 11.6 -3.3 64 64 A G E +C 73 0A 8 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.793 16.1 172.3-109.0 155.9 45.9 10.0 -1.7 65 65 A S E +C 72 0A 69 7,-2.6 7,-2.2 -2,-0.3 2,-0.2 -0.958 17.0 98.4-149.8 169.8 44.3 10.3 1.7 66 66 A G E -C 71 0A 28 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.636 30.8-150.5 132.2 165.4 41.4 9.3 3.8 67 67 A S E > -C 70 0A 87 3,-1.2 3,-1.6 -2,-0.2 2,-0.4 -0.945 69.6 -7.7-159.7 162.8 40.0 6.9 6.3 68 68 A G T 3 S- 0 0 26 -2,-0.3 -39,-1.8 1,-0.2 -37,-0.4 -0.225 131.0 -15.0 46.2 -96.9 36.5 5.5 7.0 69 69 A T T 3 S+ 0 0 62 -2,-0.4 -44,-2.6 -41,-0.2 2,-0.5 0.503 116.5 71.3-120.0 -8.5 34.2 7.5 4.7 70 70 A Q E < +BC 24 67A 82 -3,-1.6 -3,-1.2 -46,-0.2 2,-0.4 -0.953 55.6 177.2-115.6 127.8 36.0 10.6 3.3 71 71 A Y E -BC 23 66A 0 -48,-3.3 -48,-2.7 -2,-0.5 2,-0.3 -0.988 6.7-166.8-131.3 140.7 38.8 10.2 0.7 72 72 A S E -BC 22 65A 33 -7,-2.2 -7,-2.6 -2,-0.4 2,-0.5 -0.948 15.7-156.7-130.7 149.2 40.9 12.7 -1.3 73 73 A L E -BC 21 64A 0 -52,-2.5 -52,-3.1 -2,-0.3 2,-0.4 -0.985 19.1-164.8-117.0 119.1 43.3 12.7 -4.2 74 74 A K E -BC 20 63A 85 -11,-3.1 -11,-2.3 -2,-0.5 2,-0.6 -0.927 5.0-161.5-105.2 132.5 45.7 15.7 -4.1 75 75 A I E -BC 19 62A 0 -56,-2.6 -56,-1.7 -2,-0.4 3,-0.4 -0.952 10.7-156.3-113.6 108.1 47.6 16.6 -7.3 76 76 A N S S- 0 0 49 -15,-2.9 -58,-0.2 -2,-0.6 -59,-0.1 -0.698 70.1 -1.8 -85.3 136.5 50.6 18.9 -6.4 77 77 A S S S- 0 0 64 -61,-0.4 -1,-0.2 -2,-0.3 -59,-0.2 0.924 87.9-131.5 47.6 70.5 52.0 21.1 -9.2 78 78 A L - 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