==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 08-MAR-95 1MLB . COMPND 2 MOLECULE: IGG1-KAPPA D44.1 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.C.BRADEN,H.SOUCHON,J.-L.EISELE,G.A.BENTLEY,T.N.BHAT,J.NAVA . 432 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 47 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.2 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 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 RESIDUES PER ALPHA HELIX . 1 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 . 4 4 5 3 4 9 0 0 1 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 0 4 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 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 0 127 0, 0.0 2,-0.9 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 155.7 0.1 43.2 90.1 2 2 A I - 0 0 6 93,-0.4 2,-0.6 91,-0.1 88,-0.2 -0.833 360.0-150.9 -88.7 104.2 -3.6 42.7 89.3 3 3 A E - 0 0 118 -2,-0.9 23,-0.8 94,-0.0 2,-0.6 -0.749 3.9-153.0 -81.8 122.4 -3.8 38.9 89.5 4 4 A L E -Ab 25 99A 1 94,-0.6 96,-0.6 -2,-0.6 2,-0.5 -0.901 10.5-167.9 -98.5 115.4 -6.5 37.6 87.2 5 5 A T E -A 24 0A 84 19,-2.3 19,-3.2 -2,-0.6 2,-0.4 -0.959 3.7-170.7-110.0 120.3 -8.1 34.3 88.4 6 6 A Q E -A 23 0A 16 -2,-0.5 17,-0.2 17,-0.3 94,-0.1 -0.868 15.1-125.1-110.2 146.1 -10.3 32.4 86.1 7 7 A S E S+A 22 0A 52 15,-2.0 15,-2.6 -2,-0.4 2,-0.1 -0.982 75.5 31.8-141.6 146.0 -12.4 29.3 86.9 8 8 A P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.597 62.3-152.4 -85.0 160.8 -12.9 26.6 86.1 9 9 A A S S+ 0 0 73 93,-0.2 94,-2.4 1,-0.2 2,-0.3 0.753 84.4 13.2 -61.9 -32.2 -9.4 25.5 84.9 10 10 A T E -e 103 0B 87 92,-0.3 2,-0.4 75,-0.0 94,-0.2 -0.965 67.8-160.6-141.6 154.6 -11.1 23.0 82.5 11 11 A L E -e 104 0B 38 92,-2.5 94,-3.7 -2,-0.3 2,-0.5 -0.985 7.8-157.7-144.1 117.9 -14.6 22.5 81.3 12 12 A S E -e 105 0B 44 -2,-0.4 2,-0.4 92,-0.2 94,-0.2 -0.862 28.2-179.0 -94.2 122.9 -16.1 19.4 79.8 13 13 A V E -e 106 0B 4 92,-3.1 94,-1.5 -2,-0.5 3,-0.1 -0.985 26.9-141.2-135.6 124.2 -19.1 20.5 77.8 14 14 A T > - 0 0 61 -2,-0.4 3,-2.0 92,-0.2 64,-0.3 -0.648 44.1 -98.9 -80.7 139.1 -21.7 18.7 75.7 15 15 A P T 3 S+ 0 0 54 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.143 109.8 34.8 -53.6 144.7 -22.6 20.6 72.6 16 16 A G T 3 S+ 0 0 51 62,-2.9 2,-0.2 1,-0.4 63,-0.1 0.262 92.3 119.0 94.6 -11.3 -25.8 22.7 73.0 17 17 A D < - 0 0 83 -3,-2.0 61,-5.0 61,-0.3 2,-0.5 -0.507 63.2-126.5 -80.8 160.7 -25.1 23.4 76.6 18 18 A S - 0 0 67 59,-0.3 2,-0.3 58,-0.2 58,-0.2 -0.953 28.2-171.5-107.1 122.5 -24.6 26.9 77.9 19 19 A V E - C 0 75A 15 56,-1.4 56,-1.7 -2,-0.5 2,-0.3 -0.710 13.0-158.2-113.4 163.3 -21.4 27.6 79.9 20 20 A S E - C 0 74A 73 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.971 8.3-160.5-134.6 128.9 -20.3 30.6 81.9 21 21 A L E - C 0 73A 0 52,-3.4 52,-1.6 -2,-0.3 2,-0.4 -0.834 12.6-141.3-109.9 144.1 -16.6 31.2 82.6 22 22 A S E -AC 7 72A 44 -15,-2.6 -15,-2.0 -2,-0.3 2,-0.4 -0.885 17.2-177.5-116.5 140.2 -15.4 33.5 85.5 23 23 A a E -AC 6 71A 0 48,-2.2 48,-1.9 -2,-0.4 2,-0.3 -0.968 11.2-173.7-132.2 111.3 -12.6 35.9 85.6 24 24 A R E -AC 5 70A 116 -19,-3.2 -19,-2.3 -2,-0.4 2,-0.3 -0.827 11.7-143.5-113.1 156.3 -12.0 37.7 89.0 25 25 A A E -A 4 0A 6 44,-1.4 -21,-0.2 -2,-0.3 3,-0.1 -0.795 17.7-131.5-118.0 152.3 -9.5 40.6 89.7 26 26 A S S S+ 0 0 67 -23,-0.8 2,-0.3 -2,-0.3 -22,-0.1 0.373 98.3 9.9 -81.2 5.9 -7.5 41.2 92.9 27 27 A Q S S- 0 0 104 -24,-0.2 -1,-0.2 41,-0.2 41,-0.0 -0.873 106.2 -71.9-179.5 150.7 -8.6 44.8 92.8 28 28 A S + 0 0 76 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.293 37.7 179.6 -64.4 139.4 -11.2 46.6 90.7 29 29 A I > - 0 0 0 39,-1.8 3,-2.0 1,-0.4 2,-0.2 0.158 28.6-145.5-124.4 8.3 -10.3 47.1 87.1 30 30 A S T 3 - 0 0 64 1,-0.3 38,-2.2 38,-0.1 -1,-0.4 -0.486 67.3 -26.4 60.8-121.5 -13.6 48.8 86.1 31 31 A N T 3 S+ 0 0 62 -2,-0.2 2,-1.6 36,-0.2 -1,-0.3 0.042 103.3 115.3-110.3 16.4 -14.5 47.9 82.5 32 32 A N < + 0 0 25 -3,-2.0 59,-1.5 18,-0.1 2,-0.4 -0.484 44.4 112.2 -85.6 68.0 -11.0 47.2 81.4 33 33 A L E -F 90 0B 0 -2,-1.6 18,-2.7 57,-0.2 2,-0.3 -0.949 39.4-173.8-144.8 128.5 -11.3 43.5 80.7 34 34 A H E -F 89 0B 0 55,-2.4 55,-1.3 -2,-0.4 2,-0.4 -0.788 15.1-137.7-122.2 157.7 -11.2 41.5 77.4 35 35 A W E -FG 88 48B 1 13,-2.3 12,-2.5 -2,-0.3 13,-1.0 -0.930 17.6-171.3-116.7 133.8 -11.7 37.9 76.4 36 36 A Y E -FG 87 46B 0 51,-2.8 51,-2.4 -2,-0.4 2,-0.5 -0.955 13.1-150.7-121.8 148.1 -9.6 35.8 74.0 37 37 A Q E -FG 86 45B 2 8,-3.2 8,-2.1 -2,-0.3 2,-0.5 -0.968 13.9-167.7-111.0 128.6 -10.0 32.4 72.4 38 38 A Q E -F 85 0B 13 47,-2.4 47,-2.7 -2,-0.5 2,-0.3 -0.974 3.9-161.4-121.5 124.0 -6.9 30.5 71.5 39 39 A K > - 0 0 52 -2,-0.5 3,-1.9 4,-0.5 45,-0.1 -0.725 50.3 -68.0 -95.5 150.9 -7.0 27.4 69.3 40 40 A S T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.101 116.7 -6.4 -54.7 123.9 -4.0 25.1 69.4 41 41 A H T 3 S+ 0 0 177 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.788 110.9 110.5 61.3 33.8 -0.9 26.6 67.9 42 42 A E S < S- 0 0 106 -3,-1.9 -1,-0.3 3,-0.0 3,-0.1 -0.929 75.4-101.2-125.3 152.4 -2.9 29.7 66.7 43 43 A S - 0 0 33 -2,-0.3 -4,-0.5 1,-0.2 280,-0.1 -0.324 52.5 -86.0 -67.1 158.7 -2.6 33.2 68.0 44 44 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.226 37.3-146.4 -64.9 150.9 -5.3 34.4 70.4 45 45 A R E -G 37 0B 95 -8,-2.1 -8,-3.2 -3,-0.1 2,-0.4 -0.985 14.3-128.6-120.1 125.6 -8.6 35.9 69.0 46 46 A L E +G 36 0B 22 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.698 29.8 171.9 -78.3 134.8 -10.4 38.7 70.8 47 47 A L E + 0 0 1 -12,-2.5 8,-0.6 -2,-0.4 2,-0.3 0.646 66.5 15.2-109.8 -37.7 -14.1 37.8 71.3 48 48 A I E -GH 35 54B 3 -13,-1.0 -13,-2.3 6,-0.2 -1,-0.4 -0.960 65.7-158.2-144.3 129.2 -15.4 40.6 73.6 49 49 A K E > S+ H 0 53B 53 4,-1.5 4,-2.5 -2,-0.3 3,-0.3 -0.891 72.3 9.6-115.0 146.8 -13.7 44.0 74.5 50 50 A Y T 4 S- 0 0 58 -2,-0.4 2,-2.8 1,-0.2 -1,-0.2 0.960 124.7 -64.3 50.1 64.2 -14.4 46.1 77.5 51 51 A V T 4 S+ 0 0 7 -18,-2.7 -1,-0.2 1,-0.2 21,-0.1 -0.288 128.5 13.1 73.0 -54.7 -16.5 43.5 79.4 52 52 A S T 4 S+ 0 0 74 -2,-2.8 -1,-0.2 -3,-0.3 2,-0.2 0.284 85.2 119.9-137.7 8.0 -19.4 43.3 77.0 53 53 A Q E < -H 49 0B 94 -4,-2.5 -4,-1.5 -3,-0.1 2,-0.3 -0.660 51.6-134.5 -90.0 157.9 -18.8 44.9 73.6 54 54 A S E -H 48 0B 100 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.759 6.5-145.5-112.5 144.0 -19.0 42.8 70.5 55 55 A S > - 0 0 33 -8,-0.6 3,-1.3 -2,-0.3 2,-0.1 -0.770 32.5-101.7-107.9 147.3 -16.7 42.6 67.5 56 56 A S T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.396 106.0 28.9 -65.2 144.8 -17.9 41.9 64.0 57 57 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.326 88.8 114.4 85.6 -13.9 -17.4 38.3 62.8 58 58 A I S < S- 0 0 34 -3,-1.3 -1,-0.3 -11,-0.1 -11,-0.0 -0.824 78.3-103.2 -89.9 136.1 -17.6 36.7 66.3 59 59 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.240 22.8-123.8 -57.2 145.5 -20.7 34.4 66.7 60 60 A S T 3 S+ 0 0 125 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.637 101.8 81.8 -68.1 -12.0 -23.5 36.0 68.7 61 61 A R T 3 S+ 0 0 40 14,-0.1 15,-2.5 16,-0.1 2,-0.4 0.793 79.9 78.0 -63.9 -29.5 -23.4 33.0 71.0 62 62 A F E < +D 75 0A 10 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.610 57.3 151.1 -81.2 126.3 -20.5 34.7 72.9 63 63 A S E -D 74 0A 63 11,-2.5 11,-2.8 -2,-0.4 2,-0.3 -0.972 23.6-156.6-152.8 159.1 -21.3 37.5 75.3 64 64 A G E +D 73 0A 11 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.860 12.9 170.0-136.7 160.8 -19.7 38.9 78.4 65 65 A S E +D 72 0A 67 7,-1.6 7,-2.4 -2,-0.3 2,-0.3 -0.815 26.9 102.4-158.6 176.7 -21.0 40.9 81.4 66 66 A G E -D 71 0A 34 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.787 38.3-154.4 128.0-177.7 -19.4 41.8 84.8 67 67 A S E > +D 70 0A 80 3,-1.7 2,-1.1 -2,-0.3 3,-0.6 -0.433 61.7 3.9 165.2 130.6 -17.8 45.0 86.2 68 68 A G T 3 S- 0 0 12 -38,-2.2 -39,-1.8 1,-0.2 -41,-0.2 -0.753 132.4 -10.9 90.1 -92.5 -15.2 45.7 88.8 69 69 A T T 3 S+ 0 0 43 -2,-1.1 -44,-1.4 -41,-0.2 2,-0.5 0.581 122.1 66.6-120.0 -18.6 -13.9 42.4 90.1 70 70 A D E < +CD 24 67A 91 -3,-0.6 -3,-1.7 -46,-0.2 2,-0.3 -0.960 56.6 171.7-114.0 120.2 -16.3 39.7 88.7 71 71 A F E -CD 23 66A 2 -48,-1.9 -48,-2.2 -2,-0.5 2,-0.4 -0.936 10.6-162.8-128.4 154.1 -16.4 39.0 84.9 72 72 A T E -CD 22 65A 40 -7,-2.4 -7,-1.6 -2,-0.3 2,-0.5 -0.998 12.8-161.1-138.4 135.5 -18.2 36.4 83.0 73 73 A L E -CD 21 64A 0 -52,-1.6 -52,-3.4 -2,-0.4 2,-0.4 -0.981 21.2-169.3-110.4 128.0 -17.9 35.0 79.5 74 74 A S E -CD 20 63A 36 -11,-2.8 -11,-2.5 -2,-0.5 2,-0.5 -0.934 15.4-166.3-119.6 136.5 -21.1 33.1 78.5 75 75 A I E -CD 19 62A 0 -56,-1.7 -56,-1.4 -2,-0.4 2,-1.3 -0.997 17.4-148.5-120.1 108.6 -21.5 30.9 75.4 76 76 A N S S+ 0 0 114 -15,-2.5 -58,-0.2 -2,-0.5 -59,-0.1 -0.793 83.4 0.4 -86.1 99.2 -25.3 30.3 75.0 77 77 A S S S- 0 0 52 -2,-1.3 -59,-0.3 -60,-0.2 -1,-0.3 0.918 87.3-127.6 85.4 90.9 -25.2 26.9 73.5 78 78 A V - 0 0 1 -61,-5.0 -62,-2.9 -64,-0.3 -61,-0.3 -0.498 24.5-155.5 -65.8 128.1 -21.6 25.6 73.1 79 79 A E > - 0 0 94 -2,-0.3 3,-0.8 -64,-0.2 -62,-0.0 -0.408 30.2-102.5 -96.9 177.4 -20.9 24.5 69.5 80 80 A T G > S+ 0 0 78 1,-0.2 3,-0.7 -2,-0.1 26,-0.1 0.809 118.7 57.9 -75.0 -36.7 -18.2 22.0 68.6 81 81 A E G 3 S+ 0 0 92 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.417 82.7 86.7 -68.2 -0.8 -15.8 24.6 67.3 82 82 A D G < + 0 0 2 -3,-0.8 -1,-0.2 2,-0.0 2,-0.2 0.259 61.5 123.6 -86.2 12.7 -15.8 26.4 70.7 83 83 A F < + 0 0 33 -3,-0.7 2,-0.3 20,-0.1 22,-0.2 -0.480 44.2 64.1 -69.9 135.1 -13.1 24.0 71.8 84 84 A G E S- I 0 104B 6 20,-1.9 20,-3.5 -2,-0.2 2,-0.4 -0.938 83.8 -36.0 155.2-159.7 -9.9 25.8 73.1 85 85 A M E -FI 38 103B 48 -47,-2.7 -47,-2.4 -2,-0.3 2,-0.6 -0.774 41.9-155.0-100.1 136.3 -8.4 28.1 75.6 86 86 A Y E -FI 37 102B 0 16,-2.1 16,-1.0 -2,-0.4 2,-0.4 -0.954 16.2-176.6-118.7 114.2 -10.3 31.0 77.1 87 87 A F E -F 36 0B 3 -51,-2.4 -51,-2.8 -2,-0.6 2,-0.3 -0.864 13.0-160.9-111.7 140.4 -8.2 33.9 78.4 88 88 A a E -F 35 0B 0 -2,-0.4 11,-2.9 -53,-0.2 2,-0.3 -0.812 13.1-171.1-107.8 158.6 -9.2 37.1 80.2 89 89 A Q E -FJ 34 98B 0 -55,-1.3 -55,-2.4 -2,-0.3 2,-0.4 -0.981 14.9-139.2-148.8 140.0 -6.9 40.1 80.4 90 90 A Q E -FJ 33 97B 0 7,-2.5 7,-1.0 -2,-0.3 -57,-0.2 -0.839 12.4-176.6-107.1 134.6 -6.9 43.5 82.2 91 91 A S + 0 0 9 -59,-1.5 -58,-0.1 -2,-0.4 5,-0.1 -0.008 58.0 102.1-114.4 31.6 -5.9 46.7 80.6 92 92 A N S S- 0 0 73 -60,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.874 87.4 -2.9 -79.3 -39.0 -6.3 48.9 83.8 93 93 A S S S- 0 0 36 2,-0.2 -1,-0.2 -3,-0.1 4,-0.1 -0.915 88.6 -49.2-150.5 171.0 -2.7 49.2 84.9 94 94 A W S S+ 0 0 133 -2,-0.3 2,-0.1 2,-0.1 -3,-0.0 -0.715 105.7 38.3 -98.8 141.9 0.9 48.3 84.1 95 95 A P S S- 0 0 9 0, 0.0 -93,-0.4 0, 0.0 -2,-0.2 0.681 89.0-129.1 -80.7 159.5 2.0 45.6 83.6 96 96 A R - 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