==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 04-MAY-94 1IVL . COMPND 2 MOLECULE: IGG-KAPPA M29B FV (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR L.-O.ESSEN,A.SKERRA . 214 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 . 2 2 4 2 1 4 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 . 0 0 2 0 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,-0.6 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 159.9 14.9 41.1 27.3 2 2 A I - 0 0 6 93,-0.4 2,-0.3 91,-0.3 95,-0.2 -0.766 360.0-144.9 -80.7 114.7 16.6 40.6 24.0 3 3 A E - 0 0 134 -2,-0.6 23,-2.5 94,-0.1 2,-0.4 -0.720 8.6-155.0 -86.4 142.3 14.0 38.9 21.8 4 4 A L E -A 25 0A 15 94,-0.4 2,-0.5 -2,-0.3 21,-0.2 -0.966 4.1-163.0-116.1 127.8 15.0 36.4 19.1 5 5 A T E -A 24 0A 96 19,-2.3 19,-2.6 -2,-0.4 2,-0.4 -0.977 7.8-159.7-113.0 127.1 12.8 35.7 16.1 6 6 A Q E -A 23 0A 5 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.863 14.0-125.0-107.3 146.5 13.3 32.6 14.1 7 7 A S E S+A 22 0A 59 15,-2.2 15,-2.5 -2,-0.4 2,-0.2 -0.998 70.2 17.7-147.8 143.9 12.3 31.9 10.5 8 8 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.656 60.0-144.8 -77.4-174.2 10.7 29.9 9.0 9 9 A A S S- 0 0 33 1,-0.3 94,-2.5 -2,-0.2 2,-0.3 0.964 86.1 -7.4 -71.3 -56.3 8.4 27.9 11.3 10 10 A T E -d 103 0B 79 92,-0.2 -1,-0.3 75,-0.1 2,-0.3 -0.948 67.8-172.7-132.4 155.5 8.9 24.8 9.2 11 11 A L E -d 104 0B 33 92,-1.8 94,-3.2 -2,-0.3 2,-0.4 -0.977 11.9-144.3-143.6 160.2 10.5 24.2 5.8 12 12 A S E +d 105 0B 61 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.991 22.8 163.0-128.0 129.8 10.6 21.2 3.5 13 13 A V E -d 106 0B 17 92,-2.1 94,-3.9 -2,-0.4 6,-0.0 -0.878 34.5-120.0-135.9 168.9 13.5 20.0 1.4 14 14 A T > - 0 0 55 93,-0.3 3,-1.8 -2,-0.3 64,-0.2 -0.769 53.8 -81.2-106.7 149.3 14.5 16.9 -0.5 15 15 A P T 3 S+ 0 0 63 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 -0.276 115.9 32.0 -54.1 144.8 17.8 15.3 0.6 16 16 A G T 3 S+ 0 0 45 62,-2.6 63,-0.1 1,-0.4 2,-0.0 0.206 91.0 115.5 93.7 -18.2 20.9 16.9 -1.0 17 17 A N < - 0 0 90 -3,-1.8 61,-3.0 61,-0.2 60,-0.5 -0.257 66.4-116.0 -79.5 163.4 19.4 20.4 -1.2 18 18 A S E - B 0 76A 59 59,-0.2 2,-0.3 58,-0.2 58,-0.2 -0.706 30.1-164.6-102.2 156.6 20.9 23.3 0.8 19 19 A V E - B 0 75A 12 56,-2.4 56,-1.8 -2,-0.3 2,-0.4 -0.985 12.6-159.5-147.7 149.1 19.1 25.1 3.6 20 20 A S E - B 0 74A 74 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.973 6.1-168.2-133.2 131.8 19.3 28.3 5.6 21 21 A I E - B 0 73A 0 52,-3.1 52,-2.8 -2,-0.4 2,-0.3 -0.905 14.0-150.0-122.9 134.2 17.6 29.0 8.9 22 22 A S E -AB 7 72A 20 -15,-2.5 -15,-2.2 -2,-0.4 2,-0.3 -0.849 17.4-178.7-115.4 154.3 17.5 32.5 10.4 23 23 A a E -AB 6 71A 0 48,-1.8 48,-2.4 -2,-0.3 2,-0.5 -0.988 11.9-163.4-148.7 118.5 17.5 34.0 13.9 24 24 A R E -AB 5 70A 107 -19,-2.6 -19,-2.3 -2,-0.3 2,-0.3 -0.976 8.1-147.8-114.4 122.5 17.2 37.7 14.4 25 25 A A E -A 4 0A 8 44,-2.1 -21,-0.2 -2,-0.5 4,-0.1 -0.720 14.4-137.9 -83.1 140.5 18.1 39.5 17.7 26 26 A S S S+ 0 0 65 -23,-2.5 2,-0.3 -2,-0.3 -1,-0.1 0.674 91.4 27.2 -70.9 -14.7 16.1 42.7 18.5 27 27 A Q S S- 0 0 97 -24,-0.3 2,-0.2 41,-0.1 41,-0.1 -0.978 104.3 -80.9-141.8 157.9 19.3 44.3 19.8 28 28 A S + 0 0 87 -2,-0.3 41,-0.2 1,-0.1 3,-0.1 -0.364 44.2 166.0 -65.0 129.6 23.0 43.8 18.9 29 29 A I > - 0 0 0 39,-2.6 3,-2.3 1,-0.4 62,-0.1 0.139 32.8-144.5-129.8 16.9 24.6 40.8 20.6 30 30 A G T 3 S- 0 0 14 1,-0.3 38,-2.3 38,-0.1 -1,-0.4 -0.318 70.5 -25.4 58.8-126.1 27.7 40.5 18.5 31 31 A N T 3 S+ 0 0 61 36,-0.2 2,-2.2 1,-0.1 -1,-0.3 0.251 100.3 120.9-103.4 17.7 28.6 36.9 18.2 32 32 A R < + 0 0 95 -3,-2.3 59,-2.2 18,-0.2 2,-0.4 -0.343 42.3 111.7 -91.3 66.3 26.9 35.7 21.4 33 33 A L E -E 90 0B 0 -2,-2.2 18,-3.1 57,-0.2 2,-0.4 -0.996 46.9-159.3-146.3 126.4 24.5 33.2 19.9 34 34 A F E -E 89 0B 24 55,-2.8 55,-2.1 -2,-0.4 2,-0.4 -0.915 8.1-147.7-109.7 139.9 24.3 29.4 20.1 35 35 A W E -EF 88 48B 0 13,-2.9 12,-2.6 -2,-0.4 13,-1.3 -0.950 16.8-172.6-106.4 139.6 22.6 27.0 17.8 36 36 A Y E -EF 87 46B 4 51,-3.0 51,-1.9 -2,-0.4 2,-0.4 -0.901 13.2-151.4-122.7 158.4 21.0 23.7 18.9 37 37 A Q E -EF 86 45B 3 8,-2.8 8,-3.1 -2,-0.3 2,-0.4 -0.970 8.0-172.0-124.0 136.3 19.5 20.7 17.2 38 38 A Q E -E 85 0B 19 47,-2.8 47,-2.1 -2,-0.4 3,-0.0 -0.943 9.2-179.9-125.4 113.7 16.8 18.5 18.8 39 39 A K S S- 0 0 96 -2,-0.4 2,-0.3 45,-0.2 -1,-0.1 0.596 74.6 -13.3 -84.1 -16.2 15.8 15.3 17.0 40 40 A S S S- 0 0 69 45,-0.1 2,-1.5 2,-0.1 45,-0.1 -0.889 104.3 -49.1-157.6-166.2 13.3 14.4 19.6 41 41 A H S S+ 0 0 80 -2,-0.3 2,-0.3 -3,-0.0 116,-0.1 -0.661 98.6 105.2 -78.0 88.6 12.1 15.3 23.2 42 42 A E S S- 0 0 76 -2,-1.5 -2,-0.1 121,-0.0 113,-0.1 -0.906 83.4 -62.4-156.7 170.9 15.7 15.1 24.6 43 43 A S - 0 0 51 -2,-0.3 110,-0.1 111,-0.2 -3,-0.1 -0.475 67.8 -99.0 -65.3 141.2 18.4 17.5 25.7 44 44 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.177 26.1-129.7 -60.9 146.5 19.5 19.7 22.8 45 45 A R E -F 37 0B 97 -8,-3.1 -8,-2.8 -3,-0.1 2,-0.6 -0.792 22.0-130.5 -94.2 127.4 22.7 19.0 20.8 46 46 A L E +F 36 0B 36 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.739 34.1 167.3 -81.6 120.0 24.9 22.1 20.5 47 47 A L E + 0 0 0 -12,-2.6 8,-2.6 -2,-0.6 2,-0.4 0.865 63.7 17.2 -96.3 -50.7 25.9 22.6 16.9 48 48 A I E -FG 35 54B 0 -13,-1.3 -13,-2.9 6,-0.2 -1,-0.3 -0.989 61.7-163.0-132.9 131.0 27.5 26.1 16.8 49 49 A K E > S+ G 0 53B 78 4,-2.8 4,-2.0 -2,-0.4 3,-0.4 -0.817 73.9 12.3-111.4 144.2 28.8 28.3 19.6 50 50 A Y T 4 S- 0 0 75 -2,-0.3 2,-2.5 1,-0.2 -1,-0.2 0.912 121.9 -71.4 60.6 44.0 29.4 32.0 19.3 51 51 A A T 4 S+ 0 0 0 -18,-3.1 -1,-0.2 -3,-0.3 21,-0.1 -0.234 127.3 20.5 80.7 -49.1 27.6 32.4 16.0 52 52 A S T 4 S+ 0 0 64 -2,-2.5 2,-0.8 -3,-0.4 12,-0.3 0.340 87.0 107.8-140.0 -0.0 30.0 30.7 13.7 53 53 A Q E < -G 49 0B 108 -4,-2.0 -4,-2.8 10,-0.1 2,-0.2 -0.834 58.9-145.2 -91.4 110.2 32.3 28.4 15.6 54 54 A S E -G 48 0B 61 -2,-0.8 -6,-0.2 -6,-0.2 2,-0.1 -0.548 21.3-108.1 -73.4 140.1 31.3 24.8 14.8 55 55 A I > - 0 0 51 -8,-2.6 3,-2.0 -2,-0.2 -1,-0.1 -0.458 45.9 -92.1 -66.5 131.7 31.6 22.2 17.6 56 56 A S T 3 S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.259 109.7 16.3 -43.1 123.6 34.5 19.7 17.1 57 57 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.371 86.2 129.4 88.1 -4.2 33.2 16.7 15.2 58 58 A I S < S- 0 0 22 -3,-2.0 -1,-0.3 -11,-0.2 -4,-0.0 -0.467 74.1 -82.4 -76.2 153.7 29.9 17.9 13.9 59 59 A P > - 0 0 39 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.321 33.2-127.1 -55.7 146.1 29.4 17.3 10.1 60 60 A S T 3 S+ 0 0 126 1,-0.3 16,-0.1 -3,-0.1 -2,-0.1 0.687 102.7 76.6 -72.5 -11.5 31.0 19.9 7.9 61 61 A R T 3 S+ 0 0 40 16,-0.1 15,-2.7 14,-0.1 2,-0.4 0.693 84.3 79.5 -67.8 -17.9 27.8 20.5 6.1 62 62 A F E < +C 75 0A 3 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.752 57.4 152.8 -88.9 135.2 26.6 22.5 9.1 63 63 A S E -C 74 0A 56 11,-2.3 11,-3.7 -2,-0.4 2,-0.3 -0.986 25.2-153.0-155.5 160.2 27.8 26.1 9.6 64 64 A G E +C 73 0A 8 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.936 13.4 176.7-127.6 152.3 26.7 29.3 11.2 65 65 A S E +C 72 0A 60 7,-2.4 7,-2.8 -2,-0.3 2,-0.2 -0.984 24.9 87.3-146.8 168.2 27.4 32.9 10.4 66 66 A G E -C 71 0A 31 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.555 34.0-155.4 124.5 154.1 26.4 36.4 11.6 67 67 A S S S+ 0 0 90 3,-0.6 2,-0.6 -2,-0.2 3,-0.3 -0.751 70.6 16.4-164.2 121.1 27.4 39.0 14.1 68 68 A G S S- 0 0 12 -38,-2.3 -39,-2.6 -2,-0.2 -41,-0.1 -0.873 127.5 -23.3 122.8 -99.6 25.1 41.7 15.5 69 69 A T S S+ 0 0 50 -2,-0.6 -44,-2.1 -41,-0.2 2,-0.6 0.522 116.7 71.8-123.2 -18.2 21.4 41.0 14.9 70 70 A D E +B 24 0A 81 -3,-0.3 -3,-0.6 -46,-0.2 2,-0.4 -0.910 55.6 176.2-119.1 115.6 21.2 38.7 11.9 71 71 A F E -BC 23 66A 1 -48,-2.4 -48,-1.8 -2,-0.6 2,-0.4 -0.945 9.4-164.9-122.1 140.8 22.2 35.1 12.3 72 72 A T E -BC 22 65A 46 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.5 -0.989 9.5-160.6-128.6 130.7 22.1 32.2 9.8 73 73 A L E -BC 21 64A 0 -52,-2.8 -52,-3.1 -2,-0.4 2,-0.5 -0.975 21.7-163.4 -97.3 128.4 22.4 28.5 10.3 74 74 A S E -BC 20 63A 29 -11,-3.7 -11,-2.3 -2,-0.5 2,-0.6 -0.911 19.2-170.7-116.5 128.6 23.3 26.8 7.0 75 75 A I E -BC 19 62A 0 -56,-1.8 -56,-2.4 -2,-0.5 2,-1.0 -0.976 14.1-161.6-107.7 111.3 23.0 23.1 6.1 76 76 A N E S+B 18 0A 97 -15,-2.7 -58,-0.2 -2,-0.6 -59,-0.1 -0.860 75.7 4.4 -97.1 98.8 24.7 22.7 2.8 77 77 A S S S- 0 0 45 -2,-1.0 -1,-0.3 -60,-0.5 -59,-0.2 0.957 88.2-136.1 88.6 79.1 23.5 19.4 1.4 78 78 A V - 0 0 0 -61,-3.0 -62,-2.6 -3,-0.4 2,-0.3 -0.232 11.4-153.5 -68.6 143.7 20.9 18.0 3.8 79 79 A E > - 0 0 89 -64,-0.2 3,-1.9 -63,-0.1 4,-0.1 -0.744 29.8-116.1-109.7 152.7 20.7 14.4 4.9 80 80 A T G > S+ 0 0 92 -2,-0.3 3,-1.5 1,-0.3 26,-0.1 0.811 114.6 68.9 -62.9 -21.0 17.5 12.8 6.0 81 81 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.528 84.1 73.2 -72.1 0.8 19.1 12.3 9.4 82 82 A D G < + 0 0 1 -3,-1.9 -1,-0.3 2,-0.1 22,-0.2 0.425 60.4 126.7 -97.7 -3.6 18.9 16.1 9.8 83 83 A L < + 0 0 86 -3,-1.5 2,-0.3 -4,-0.1 22,-0.2 -0.426 43.1 108.9 -52.6 117.6 15.2 16.1 10.3 84 84 A A E S- H 0 104B 4 20,-0.9 20,-2.6 -2,-0.2 2,-0.4 -0.968 71.8 -89.2-174.7 172.4 15.0 18.0 13.6 85 85 A V E -EH 38 103B 29 -47,-2.1 -47,-2.8 -2,-0.3 2,-0.4 -0.923 39.6-155.0-103.1 129.8 13.9 21.3 15.3 86 86 A Y E -EH 37 102B 0 16,-2.6 16,-2.3 -2,-0.4 2,-0.4 -0.936 12.1-176.1-108.2 141.1 16.6 23.9 15.5 87 87 A F E -E 36 0B 8 -51,-1.9 -51,-3.0 -2,-0.4 2,-0.3 -0.992 14.7-149.7-134.7 144.3 16.8 26.7 18.1 88 88 A a E -E 35 0B 0 -2,-0.4 11,-2.7 -53,-0.2 2,-0.4 -0.860 13.2-169.4-108.5 151.1 19.0 29.7 18.6 89 89 A Q E -EI 34 98B 0 -55,-2.1 -55,-2.8 -2,-0.3 2,-0.4 -0.999 15.8-136.7-136.7 135.4 19.7 31.1 22.1 90 90 A Q E -E 33 0B 0 7,-2.3 -57,-0.2 -2,-0.4 -88,-0.0 -0.768 14.9-175.4 -93.6 151.7 21.5 34.3 23.0 91 91 A V + 0 0 27 -59,-2.2 -58,-0.1 -2,-0.4 3,-0.1 -0.129 58.2 97.3-138.4 34.9 24.0 34.2 25.7 92 92 A S S S+ 0 0 37 -60,-0.3 2,-0.3 1,-0.3 4,-0.1 0.806 90.2 4.8 -97.9 -45.6 24.7 38.0 25.7 93 93 A E S S- 0 0 114 2,-0.2 4,-0.4 -91,-0.1 -1,-0.3 -0.978 93.6 -67.7-146.5 140.8 22.6 39.3 28.5 94 94 A W S S+ 0 0 104 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.476 110.4 51.1 -69.9 141.3 20.3 37.7 31.2 95 95 A P S S- 0 0 20 0, 0.0 2,-1.6 0, 0.0 -93,-0.4 0.500 85.5-142.1 -74.6 146.1 17.7 36.4 30.7 96 96 A F - 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