==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 08-JUL-92 1HIM . COMPND 2 MOLECULE: IGG2A-KAPPA 17/9 FAB (HEAVY CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR U.SCHULZE-GAHMEN,I.A.WILSON . 879 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 344 39.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 100 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 3 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 15 8 5 7 16 3 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 1 9 2 2 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 H D 0 0 122 0, 0.0 2,-0.5 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 126.9 -22.1 18.6 -8.5 2 2 H I - 0 0 7 99,-0.6 2,-0.3 97,-0.3 94,-0.1 -0.759 360.0-140.7 -76.5 126.0 -23.4 15.1 -9.5 3 3 H V - 0 0 80 -2,-0.5 23,-1.0 100,-0.1 2,-0.6 -0.738 9.8-138.2 -77.3 143.2 -22.3 12.8 -6.6 4 4 H M E -A 25 0A 15 100,-0.5 2,-0.5 -2,-0.3 21,-0.2 -0.906 19.6-170.4 -97.7 128.2 -21.1 9.5 -7.9 5 5 H T E +A 24 0A 74 19,-3.0 19,-1.4 -2,-0.6 2,-0.6 -0.896 6.1 178.2-121.8 110.6 -22.3 6.5 -5.7 6 6 H Q E -A 23 0A 20 -2,-0.5 17,-0.2 17,-0.2 100,-0.1 -0.925 17.1-143.1-105.1 128.7 -20.9 3.1 -6.3 7 7 H S E S+A 22 0A 74 15,-1.0 15,-2.3 -2,-0.6 2,-0.1 -0.992 70.2 39.3-126.1 142.5 -21.9 0.2 -4.3 8 8 H P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.559 58.2-162.1 -89.0 174.2 -20.3 -2.2 -3.3 9 9 H S S S+ 0 0 97 1,-0.3 100,-2.0 99,-0.2 2,-0.4 0.709 84.9 20.3 -85.9 -18.1 -16.8 -1.0 -2.3 10 10 H S E -d 109 0B 51 98,-0.3 2,-0.4 81,-0.0 -1,-0.3 -0.979 69.2-169.4-147.9 134.9 -15.4 -4.5 -2.4 11 11 H L E -d 110 0B 37 98,-3.0 100,-2.7 -2,-0.4 2,-0.6 -0.992 14.9-143.0-128.0 132.2 -16.9 -7.4 -4.2 12 12 H T E -d 111 0B 60 -2,-0.4 100,-0.2 98,-0.2 2,-0.2 -0.899 28.5-179.1-106.1 121.3 -15.5 -11.0 -3.7 13 13 H V E -d 112 0B 0 98,-2.5 100,-3.5 -2,-0.6 2,-0.4 -0.592 28.7-139.9-111.2 169.9 -15.5 -13.1 -6.8 14 14 H T > - 0 0 65 -2,-0.2 3,-2.1 98,-0.2 70,-0.3 -0.988 43.0-102.3-125.4 134.2 -14.6 -16.5 -8.1 15 15 H A T 3 S+ 0 0 54 -2,-0.4 70,-0.2 1,-0.3 3,-0.1 -0.236 109.6 28.6 -57.0 144.6 -12.9 -16.7 -11.5 16 16 H G T 3 S+ 0 0 47 68,-3.4 -1,-0.3 1,-0.3 2,-0.1 0.287 98.3 115.8 79.9 -9.1 -15.3 -17.7 -14.2 17 17 H E < - 0 0 62 -3,-2.1 67,-2.9 67,-0.3 2,-0.4 -0.482 68.2-113.2 -89.6 164.1 -18.4 -16.2 -12.4 18 18 H K - 0 0 140 65,-0.2 2,-0.4 -2,-0.1 64,-0.2 -0.790 36.0-176.6 -92.1 137.4 -20.6 -13.2 -13.4 19 19 H V E - B 0 81A 7 62,-2.4 62,-3.0 -2,-0.4 2,-0.4 -0.996 11.2-164.9-141.0 138.4 -20.4 -10.1 -11.3 20 20 H T E - B 0 80A 65 -2,-0.4 2,-0.3 60,-0.2 60,-0.2 -0.984 2.1-170.0-130.1 126.0 -22.3 -6.8 -11.4 21 21 H M E - B 0 79A 0 58,-1.9 58,-2.1 -2,-0.4 2,-0.3 -0.812 19.1-131.5-109.8 148.7 -21.3 -3.5 -9.7 22 22 H S E -AB 7 78A 44 -15,-2.3 -15,-1.0 -2,-0.3 2,-0.4 -0.798 15.8-170.2-110.7 147.6 -23.6 -0.4 -9.5 23 23 H a E -AB 6 77A 0 54,-3.3 54,-2.8 -2,-0.3 2,-0.4 -0.987 8.9-170.0-131.5 131.5 -23.0 3.3 -10.2 24 24 H T E -AB 5 76A 43 -19,-1.4 -19,-3.0 -2,-0.4 2,-0.3 -0.974 8.4-152.2-124.6 138.2 -25.6 6.0 -9.3 25 25 H S E -A 4 0A 3 50,-2.0 -21,-0.2 -2,-0.4 4,-0.1 -0.774 18.5-135.4 -99.1 150.1 -25.6 9.7 -10.3 26 26 H S S S+ 0 0 58 -23,-1.0 2,-0.2 -2,-0.3 -22,-0.1 0.752 94.0 7.2 -70.7 -24.2 -27.3 12.5 -8.1 27 27 H Q S S- 0 0 94 -24,-0.2 2,-0.2 47,-0.1 -2,-0.1 -0.690 104.5 -68.0-137.3-170.3 -28.9 13.9 -11.4 28 27AH S - 0 0 55 -2,-0.2 47,-0.2 1,-0.1 -2,-0.1 -0.549 27.3-164.3 -89.0 154.9 -29.0 12.7 -15.0 29 27BH L + 0 0 0 45,-0.9 9,-2.2 -2,-0.2 2,-0.3 0.332 45.4 131.0-114.0 2.7 -25.9 12.5 -17.2 30 27CH F E -J 37 0C 70 7,-0.3 2,-0.6 44,-0.2 7,-0.3 -0.492 43.9-158.7 -65.9 117.3 -27.8 12.2 -20.5 31 27DH N E >> -J 36 0C 22 5,-3.1 5,-2.0 -2,-0.3 4,-0.9 -0.930 4.8-162.8 -97.9 112.4 -26.4 14.7 -22.8 32 27EH S T 45S+ 0 0 83 -2,-0.6 -1,-0.1 3,-0.2 5,-0.1 0.487 81.0 65.1 -78.0 -1.3 -28.9 15.5 -25.5 33 27FH G T 45S+ 0 0 75 3,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.910 118.7 24.6 -83.8 -47.8 -26.4 17.1 -28.0 34 28 H K T 45S- 0 0 73 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.600 106.8-128.9 -83.0 -12.6 -24.5 13.8 -28.5 35 29 H Q T <5 + 0 0 108 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.794 69.9 119.1 59.9 42.7 -27.6 11.9 -27.5 36 30 H K E - 0 0 47 4,-0.5 3,-2.5 -2,-0.4 45,-0.1 -0.907 46.4 -80.7-118.1 147.8 -4.4 -1.7 -11.3 46 40 H P T 3 S+ 0 0 120 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.241 118.3 19.9 -55.9 120.7 -1.9 -0.9 -8.6 47 41 H G T 3 S+ 0 0 65 1,-0.4 -3,-0.0 -3,-0.0 0, 0.0 0.043 109.2 95.0 110.7 -18.8 0.9 1.2 -10.0 48 42 H Q S < S- 0 0 88 -3,-2.5 -1,-0.4 1,-0.1 3,-0.1 -0.669 75.9-117.3-103.1 154.8 -1.0 2.4 -13.0 49 43 H P - 0 0 23 0, 0.0 -4,-0.5 0, 0.0 -1,-0.1 -0.181 56.6 -83.3 -60.4 168.4 -3.1 5.4 -13.9 50 44 H P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.361 43.9-150.4 -69.4 164.4 -6.9 4.4 -14.6 51 45 H K E -F 43 0B 91 -8,-2.2 -8,-2.2 -3,-0.1 2,-0.1 -0.997 20.0-107.7-140.5 145.1 -7.9 3.1 -18.1 52 46 H V E +F 42 0B 5 -2,-0.4 -10,-0.3 274,-0.2 3,-0.1 -0.436 37.3 165.3 -65.6 131.8 -11.2 3.4 -19.9 53 47 H L E S+ 0 0 2 -12,-2.5 8,-2.7 1,-0.4 2,-0.4 0.702 72.2 8.6-104.5 -50.3 -13.2 0.3 -20.1 54 48 H I E -FG 41 60B 0 -13,-0.9 -13,-2.9 6,-0.2 -1,-0.4 -0.967 62.1-178.6-133.7 133.9 -16.5 1.7 -21.1 55 49 H Y E > + G 0 59B 40 4,-2.5 4,-2.8 -2,-0.4 3,-0.4 -0.640 68.3 38.5-120.8-175.0 -17.6 5.2 -22.2 56 50 H W T 4 S- 0 0 40 1,-0.3 2,-1.5 2,-0.2 -19,-0.4 0.800 125.6 -78.6 35.3 41.2 -21.1 6.7 -23.1 57 51 H A T 4 S+ 0 0 2 -18,-2.6 -1,-0.3 1,-0.2 21,-0.2 -0.118 127.2 24.3 65.4 -31.8 -22.4 4.4 -20.3 58 52 H S T 4 S+ 0 0 71 -2,-1.5 2,-0.5 -3,-0.4 12,-0.3 0.243 86.0 107.9-142.3 9.2 -22.2 1.3 -22.6 59 53 H T E < -G 55 0B 45 -4,-2.8 -4,-2.5 10,-0.1 2,-0.3 -0.766 59.2-139.9 -97.8 138.4 -19.7 1.7 -25.5 60 54 H R E -G 54 0B 87 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.1 -0.716 18.4-111.8 -98.5 141.5 -16.6 -0.5 -24.9 61 55 H E > - 0 0 67 -8,-2.7 3,-2.2 -2,-0.3 2,-0.5 -0.380 43.0 -90.4 -67.2 151.1 -13.2 0.8 -25.8 62 56 H S T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.554 118.6 25.5 -63.8 111.7 -11.4 -0.8 -28.7 63 57 H G T 3 S+ 0 0 73 -2,-0.5 -1,-0.3 1,-0.5 -2,-0.1 0.250 85.6 123.7 115.4 -8.7 -9.5 -3.5 -26.9 64 58 H V < - 0 0 15 -3,-2.2 -1,-0.5 -11,-0.2 -4,-0.1 -0.702 69.4-101.4 -85.7 135.8 -11.6 -4.2 -23.8 65 59 H P > - 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.081 24.5-113.6 -41.4 156.1 -12.8 -7.8 -23.6 66 60 H D T 3 S+ 0 0 133 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.672 110.0 70.3 -71.0 -18.0 -16.3 -8.9 -24.6 67 61 H R T 3 S+ 0 0 37 16,-0.1 15,-2.2 14,-0.1 2,-0.7 0.635 79.5 84.7 -76.1 -16.8 -17.1 -9.8 -21.0 68 62 H F E < +C 81 0A 6 -3,-1.3 2,-0.4 13,-0.2 13,-0.2 -0.794 58.2 173.0 -94.2 117.5 -17.2 -6.1 -19.8 69 63 H T E -C 80 0A 53 11,-2.7 11,-2.3 -2,-0.7 2,-0.4 -0.942 22.5-155.5-126.5 143.1 -20.6 -4.5 -20.4 70 64 H G E +C 79 0A 6 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.924 23.6 169.5-111.5 141.1 -22.0 -1.1 -19.3 71 65 H S E +C 78 0A 41 7,-1.6 7,-2.3 -2,-0.4 2,-0.1 -0.975 23.8 63.8-149.5 148.9 -25.8 -0.9 -19.0 72 66 H G E -C 77 0A 36 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.315 47.9-130.5 119.9 163.8 -28.2 1.7 -17.6 73 67 H S E > +C 76 0A 83 3,-1.1 3,-1.8 -2,-0.1 2,-1.8 -0.988 60.3 1.3-152.3 158.5 -29.5 5.3 -18.1 74 68 H G T 3 S- 0 0 19 -2,-0.3 -45,-0.9 1,-0.3 -44,-0.2 -0.412 130.1 -13.6 71.0 -88.3 -30.3 8.6 -16.5 75 69 H T T 3 S+ 0 0 54 -2,-1.8 -50,-2.0 -47,-0.2 2,-0.6 0.484 124.6 70.7-124.9 -14.7 -29.3 8.1 -12.8 76 70 H D E < +BC 24 73A 106 -3,-1.8 -3,-1.1 -52,-0.2 2,-0.3 -0.874 56.1 159.5-117.9 111.0 -28.9 4.3 -12.5 77 71 H F E -BC 23 72A 2 -54,-2.8 -54,-3.3 -2,-0.6 2,-0.3 -0.877 15.9-164.6-127.2 153.7 -25.9 2.5 -14.2 78 72 H T E -BC 22 71A 36 -7,-2.3 -7,-1.6 -2,-0.3 2,-0.4 -0.990 15.2-146.0-136.1 144.0 -24.1 -0.9 -13.8 79 73 H L E -BC 21 70A 0 -58,-2.1 -58,-1.9 -2,-0.3 2,-0.4 -0.866 22.7-169.5 -98.1 143.6 -20.8 -2.6 -14.9 80 74 H T E -BC 20 69A 27 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.6 -0.999 13.6-164.9-129.7 127.9 -21.1 -6.3 -15.6 81 75 H I E -BC 19 68A 0 -62,-3.0 -62,-2.4 -2,-0.4 3,-0.4 -0.979 13.1-154.0-112.4 110.8 -18.2 -8.7 -16.1 82 76 H S S S+ 0 0 60 -15,-2.2 2,-0.3 -2,-0.6 -1,-0.1 0.839 82.1 3.6 -52.8 -49.1 -19.7 -11.9 -17.6 83 77 H S S S- 0 0 46 -65,-0.1 -1,-0.3 -3,-0.1 -65,-0.2 -0.868 83.9-137.1-146.3 109.3 -17.0 -14.2 -16.3 84 78 H V - 0 0 0 -67,-2.9 -68,-3.4 -3,-0.4 -67,-0.3 -0.412 17.4-168.1 -71.7 133.0 -14.3 -12.7 -14.2 85 79 H Q > - 0 0 74 -70,-0.2 3,-0.6 -2,-0.2 -1,-0.0 -0.521 36.7-107.8-102.1 179.4 -10.7 -13.6 -14.7 86 80 H A G > S+ 0 0 65 1,-0.2 3,-1.7 -2,-0.2 -2,-0.0 0.738 116.3 69.3 -83.8 -22.2 -7.8 -12.9 -12.3 87 81 H E G 3 S+ 0 0 124 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.458 95.9 62.6 -67.6 -2.1 -6.5 -10.2 -14.7 88 82 H D G < + 0 0 3 -3,-0.6 2,-0.9 2,-0.1 -1,-0.3 0.413 64.9 111.1-103.7 0.3 -9.7 -8.4 -13.6 89 83 H L < + 0 0 47 -3,-1.7 2,-0.3 20,-0.1 22,-0.1 -0.725 53.7 109.5 -79.9 108.5 -9.0 -8.0 -9.9 90 84 H A S S- 0 0 7 -2,-0.9 20,-2.2 -45,-0.1 2,-0.4 -0.885 75.1 -83.0-157.5-179.6 -8.6 -4.3 -10.0 91 85 H V E -EH 44 109B 32 -47,-2.5 -47,-2.0 -2,-0.3 2,-0.4 -0.846 38.1-156.6-102.5 143.6 -10.5 -1.2 -8.8 92 86 H Y E +EH 43 108B 0 16,-2.5 16,-1.1 -2,-0.4 2,-0.3 -0.978 13.2 178.0-118.5 131.7 -13.4 0.0 -10.9 93 87 H Y E -E 42 0B 4 -51,-2.1 -51,-2.5 -2,-0.4 2,-0.2 -0.940 18.8-143.6-129.4 152.2 -14.7 3.6 -10.7 94 88 H a E -E 41 0B 0 -2,-0.3 11,-2.5 -53,-0.2 2,-0.3 -0.675 18.7-155.7-104.0 169.9 -17.4 5.4 -12.7 95 89 H Q E -EI 40 104B 0 -55,-1.4 -55,-1.8 9,-0.3 2,-0.7 -0.984 18.2-128.2-147.2 146.2 -17.0 9.1 -13.6 96 90 H N E +EI 39 103B 0 7,-3.1 7,-0.6 -2,-0.3 -57,-0.2 -0.908 31.0 168.0 -92.1 106.1 -19.4 11.9 -14.4 97 91 H D + 0 0 1 -59,-2.5 -58,-0.1 -2,-0.7 -1,-0.1 0.350 57.3 87.8-103.0 9.4 -18.3 13.3 -17.7 98 92 H Y S S- 0 0 75 -60,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.913 97.0 -7.5 -78.7 -53.0 -21.5 15.3 -18.1 99 93 H S S S- 0 0 38 2,-0.2 -97,-0.3 4,-0.0 -1,-0.2 -0.987 89.2 -56.5-146.2 151.0 -20.9 18.7 -16.3 100 94 H N S S+ 0 0 36 341,-2.7 2,-0.1 -2,-0.3 3,-0.1 -0.100 107.9 50.1 -56.5 152.9 -18.3 20.3 -14.1 101 95 H P S S- 0 0 21 0, 0.0 -99,-0.6 0, 0.0 2,-0.3 0.818 85.8-146.1 -63.7 143.1 -17.1 19.4 -11.5 102 96 H L - 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