==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 03-AUG-01 1JPS . COMPND 2 MOLECULE: IMMUNOGLOBULIN FAB D3H44, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.FAELBER,D.KIRCHHOFER,L.PRESTA,R.F.KELLEY,Y.A.MULLER . 626 5 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 57 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 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 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 6 6 6 5 6 11 1 2 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 . 1 1 7 1 1 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 0 111 0, 0.0 2,-0.7 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0-170.6 -16.4 29.6 34.8 2 2 L I - 0 0 2 93,-0.4 2,-0.3 91,-0.1 88,-0.1 -0.893 360.0-144.3-103.4 113.1 -15.3 26.0 34.7 3 3 L Q - 0 0 119 -2,-0.7 23,-1.7 2,-0.0 2,-0.5 -0.585 8.7-154.2 -78.4 135.9 -13.0 25.1 37.6 4 4 L M E -A 25 0A 14 94,-0.3 2,-0.6 -2,-0.3 96,-0.3 -0.942 5.1-162.9-110.1 124.0 -10.2 22.6 36.8 5 5 L T E -A 24 0A 65 19,-2.9 19,-2.2 -2,-0.5 2,-0.4 -0.929 6.4-163.0-114.1 115.6 -8.9 20.5 39.7 6 6 L Q E -A 23 0A 7 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.819 15.6-125.6-103.2 131.9 -5.5 18.9 39.1 7 7 L S E S+A 22 0A 65 15,-2.6 15,-2.9 -2,-0.4 2,-0.1 -0.990 74.2 17.1-133.0 137.0 -4.2 16.0 41.2 8 8 L P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.660 62.2-147.8 -86.6 177.0 -1.7 15.5 42.8 9 9 L S S S- 0 0 87 1,-0.3 94,-2.5 93,-0.2 2,-0.3 0.767 83.6 -5.0 -76.2 -25.1 0.0 18.9 43.4 10 10 L S E -d 103 0B 64 92,-0.3 2,-0.3 75,-0.0 -1,-0.3 -0.984 65.0-172.8-160.8 157.6 3.4 17.1 43.3 11 11 L L E -d 104 0B 33 92,-2.4 94,-2.9 -2,-0.3 2,-0.4 -0.980 15.6-142.5-152.2 160.4 4.8 13.6 43.1 12 12 L S E +d 105 0B 41 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.998 28.8 164.6-128.7 127.6 8.2 11.9 43.3 13 13 L A E -d 106 0B 7 92,-2.3 94,-2.5 -2,-0.4 2,-0.2 -0.979 32.3-114.9-143.6 154.0 9.0 9.0 41.1 14 14 L S E > -d 107 0B 46 -2,-0.3 3,-2.4 92,-0.2 64,-0.3 -0.504 46.7 -84.4 -87.3 159.3 12.0 7.0 40.0 15 15 L V T 3 S+ 0 0 69 92,-0.7 64,-0.2 1,-0.3 -1,-0.1 -0.372 121.1 27.6 -57.2 135.0 13.4 6.9 36.4 16 16 L G T 3 S+ 0 0 39 62,-3.1 -1,-0.3 1,-0.3 2,-0.1 0.337 91.9 127.5 91.5 -10.0 11.4 4.1 34.7 17 17 L D < - 0 0 69 -3,-2.4 61,-2.8 61,-0.2 2,-0.3 -0.474 63.4-117.4 -79.3 155.7 8.3 4.5 36.9 18 18 L R - 0 0 169 59,-0.2 2,-0.4 -2,-0.1 58,-0.2 -0.713 34.0-160.2 -86.4 141.4 4.8 4.9 35.3 19 19 L V E - B 0 75A 8 56,-2.6 56,-2.5 -2,-0.3 2,-0.4 -0.990 9.2-167.1-130.9 138.7 3.3 8.3 36.3 20 20 L T E - B 0 74A 62 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.991 5.2-179.1-128.0 131.5 -0.3 9.4 36.3 21 21 L I E - B 0 73A 2 52,-2.6 52,-3.1 -2,-0.4 2,-0.3 -0.985 12.7-159.6-128.5 136.1 -1.7 13.0 36.6 22 22 L T E -AB 7 72A 23 -15,-2.9 -15,-2.6 -2,-0.4 2,-0.4 -0.837 12.4-168.6-123.5 158.4 -5.4 13.8 36.6 23 23 L a E -AB 6 71A 0 48,-2.3 48,-2.8 -2,-0.3 2,-0.4 -0.990 6.3-166.9-142.7 129.3 -7.5 16.8 36.0 24 24 L R E -AB 5 70A 112 -19,-2.2 -19,-2.9 -2,-0.4 2,-0.3 -0.980 10.2-148.4-121.9 131.2 -11.3 17.0 36.7 25 25 L A E -A 4 0A 9 44,-2.4 -21,-0.2 -2,-0.4 4,-0.1 -0.682 22.7-123.4 -95.7 154.0 -13.5 19.8 35.4 26 26 L S S S+ 0 0 55 -23,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.720 95.4 6.5 -68.3 -20.8 -16.5 21.1 37.3 27 27 L R S S- 0 0 102 -24,-0.2 -1,-0.1 41,-0.1 -2,-0.0 -0.957 106.4 -56.3-152.9 167.3 -18.6 20.3 34.2 28 28 L D - 0 0 90 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.204 41.7-177.9 -49.9 124.0 -18.3 18.6 30.8 29 29 L I > - 0 0 4 39,-2.2 3,-2.1 -4,-0.1 62,-0.2 0.269 35.7-127.9-110.5 9.1 -15.5 20.2 28.7 30 30 L K T 3 - 0 0 89 1,-0.3 39,-0.1 38,-0.2 3,-0.1 0.815 62.3 -63.4 51.0 41.3 -16.0 18.2 25.6 31 31 L S T 3 S+ 0 0 25 37,-0.4 2,-2.0 1,-0.2 -1,-0.3 0.517 96.1 132.6 64.2 8.7 -12.4 17.1 25.3 32 32 L Y < + 0 0 9 -3,-2.1 59,-2.2 18,-0.2 60,-0.6 -0.536 39.6 124.4 -86.9 70.1 -11.0 20.6 24.7 33 33 L L E -E 90 0B 0 -2,-2.0 18,-2.7 57,-0.2 2,-0.3 -0.991 40.0-172.6-136.2 119.4 -8.4 19.8 27.3 34 34 L N E -E 89 0B 0 55,-2.4 55,-2.0 -2,-0.4 2,-0.4 -0.785 15.6-139.9-112.4 158.2 -4.7 20.1 26.6 35 35 L W E -EF 88 48B 0 13,-2.5 12,-2.7 -2,-0.3 13,-1.4 -0.976 19.0-172.4-119.0 132.6 -1.6 19.1 28.7 36 36 L Y E -EF 87 46B 1 51,-2.8 51,-2.8 -2,-0.4 2,-0.4 -0.944 12.3-147.2-123.4 146.5 1.5 21.4 28.8 37 37 L Q E -EF 86 45B 8 8,-3.0 8,-2.3 -2,-0.4 2,-0.5 -0.918 12.8-167.1-112.0 132.8 4.9 20.7 30.3 38 38 L Q E -E 85 0B 18 47,-2.6 47,-2.4 -2,-0.4 5,-0.1 -0.955 0.8-164.8-129.5 120.7 7.0 23.6 31.8 39 39 L K > - 0 0 72 -2,-0.5 3,-2.1 4,-0.4 45,-0.1 -0.531 47.0 -64.8 -94.6 162.1 10.7 23.3 32.7 40 40 L P T 3 S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.222 118.0 -4.8 -50.4 117.9 12.6 25.8 35.0 41 41 L G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.629 111.6 104.9 73.7 17.3 12.8 29.2 33.5 42 42 L K S < S- 0 0 134 -3,-2.1 -1,-0.2 1,-0.0 3,-0.1 -0.862 75.2-100.9-125.5 162.8 11.1 28.3 30.2 43 43 L A - 0 0 27 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.375 53.6 -89.2 -73.9 159.3 7.7 28.8 28.6 44 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.289 40.2-147.9 -66.3 157.3 5.3 25.9 28.7 45 45 L K E -F 37 0B 104 -8,-2.3 -8,-3.0 -3,-0.1 274,-0.1 -0.996 18.2-111.8-132.1 132.5 5.4 23.4 25.8 46 46 L V E +F 36 0B 17 272,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.337 38.6 162.7 -64.8 139.6 2.4 21.4 24.4 47 47 L L E + 0 0 1 -12,-2.7 8,-2.4 1,-0.4 2,-0.4 0.646 68.1 16.7-116.9 -52.7 2.4 17.6 25.0 48 48 L I E -FG 35 54B 1 -13,-1.4 -13,-2.5 6,-0.2 -1,-0.4 -0.966 63.6-171.5-128.0 137.8 -1.2 16.6 24.4 49 49 L Y E > + G 0 53B 67 4,-2.6 4,-2.4 -2,-0.4 3,-0.5 -0.910 68.6 18.4-128.2 161.3 -4.1 18.4 22.7 50 50 L Y T 4 S- 0 0 82 266,-0.5 2,-1.9 -2,-0.3 -16,-0.2 0.870 122.2 -75.4 46.6 43.4 -7.8 17.6 22.4 51 51 L A T 4 S+ 0 0 1 -18,-2.7 -1,-0.3 1,-0.2 21,-0.2 -0.178 128.3 29.5 70.7 -43.1 -7.5 15.3 25.4 52 52 L T T 4 S+ 0 0 83 -2,-1.9 2,-0.5 -3,-0.5 12,-0.3 0.444 86.4 106.8-128.6 -2.1 -5.8 12.4 23.5 53 53 L S E < -G 49 0B 37 -4,-2.4 -4,-2.6 10,-0.1 2,-0.5 -0.699 58.8-138.4 -89.1 127.8 -3.7 13.7 20.6 54 54 L L E -G 48 0B 65 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.697 24.8-123.4 -81.9 127.2 0.1 13.6 20.9 55 55 L A > - 0 0 5 -8,-2.4 3,-2.2 -2,-0.5 -1,-0.1 -0.329 41.9 -78.2 -67.7 153.8 1.6 16.8 19.5 56 56 L E T 3 S+ 0 0 182 1,-0.3 -1,-0.1 -2,-0.0 0, 0.0 -0.178 115.7 11.3 -53.5 135.1 4.2 16.5 16.8 57 57 L G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.344 90.0 133.8 79.7 -7.5 7.7 15.5 18.0 58 58 L V < - 0 0 10 -3,-2.2 -1,-0.2 -11,-0.1 -11,-0.1 -0.630 65.0-104.0 -80.5 133.8 6.5 14.6 21.6 59 59 L P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.177 25.1-121.6 -52.9 143.2 7.9 11.2 22.8 60 60 L S T 3 S+ 0 0 106 1,-0.3 16,-0.1 -3,-0.1 -2,-0.1 0.648 102.0 80.7 -64.6 -15.3 5.4 8.4 22.8 61 61 L R T 3 S+ 0 0 48 14,-0.1 15,-2.6 16,-0.1 2,-0.4 0.675 81.7 77.9 -67.0 -14.0 5.8 7.8 26.5 62 62 L F E < +C 75 0A 6 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.818 61.6 162.4 -95.7 134.9 3.3 10.7 27.0 63 63 L S E -C 74 0A 55 11,-2.1 11,-2.8 -2,-0.4 2,-0.4 -0.994 24.2-148.0-149.2 154.4 -0.4 10.0 26.5 64 64 L G E +C 73 0A 11 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.918 17.5 171.4-122.9 148.4 -3.7 11.5 27.3 65 65 L S E +C 72 0A 54 7,-2.1 7,-2.4 -2,-0.4 2,-0.2 -0.941 25.5 78.3-144.0 168.0 -7.1 9.9 28.0 66 66 L G E -C 71 0A 33 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.463 36.2-154.9 121.5 168.9 -10.5 11.0 29.2 67 67 L S E > +C 70 0A 83 3,-1.3 3,-1.4 -2,-0.2 2,-0.5 -0.939 63.7 23.4-169.2 170.0 -13.7 12.7 28.2 68 68 L G T 3 S- 0 0 26 -2,-0.3 -39,-2.2 1,-0.2 -37,-0.4 -0.495 129.9 -25.1 66.4-115.2 -16.5 14.5 29.8 69 69 L T T 3 S+ 0 0 50 -2,-0.5 -44,-2.4 -41,-0.2 2,-0.5 0.604 121.7 78.3-106.4 -16.6 -15.1 15.9 33.1 70 70 L D E < +BC 24 67A 68 -3,-1.4 -3,-1.3 -46,-0.2 2,-0.3 -0.859 51.3 168.1-109.3 124.6 -12.3 13.5 33.8 71 71 L Y E -BC 23 66A 0 -48,-2.8 -48,-2.3 -2,-0.5 2,-0.4 -0.925 12.4-164.0-132.6 149.3 -8.8 13.5 32.1 72 72 L T E -BC 22 65A 32 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.997 9.4-157.8-137.1 138.2 -5.5 11.8 32.7 73 73 L L E -BC 21 64A 1 -52,-3.1 -52,-2.6 -2,-0.4 2,-0.4 -0.951 20.9-167.1-108.7 130.8 -1.9 12.4 31.5 74 74 L T E -BC 20 63A 10 -11,-2.8 -11,-2.1 -2,-0.5 2,-0.5 -0.938 19.0-164.5-120.8 141.0 0.3 9.3 31.7 75 75 L I E -BC 19 62A 1 -56,-2.5 -56,-2.6 -2,-0.4 3,-0.3 -0.981 12.5-161.3-118.7 110.7 4.1 9.0 31.4 76 76 L S S S+ 0 0 67 -15,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.860 79.4 13.0 -64.1 -35.7 4.7 5.3 30.8 77 77 L S S S- 0 0 47 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.819 85.3-133.0-147.4 97.9 8.4 5.3 31.8 78 78 L L - 0 0 0 -61,-2.8 -62,-3.1 -3,-0.3 -61,-0.2 -0.231 20.6-163.2 -57.5 130.6 9.7 8.4 33.5 79 79 L Q > - 0 0 57 -64,-0.2 3,-2.4 -63,-0.1 4,-0.1 -0.826 31.4-112.0-113.0 155.8 13.0 9.9 32.2 80 80 L P G > S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 89,-0.1 0.865 116.5 59.3 -52.9 -41.2 15.3 12.3 34.0 81 81 L E G 3 S+ 0 0 78 1,-0.3 87,-0.1 88,-0.1 88,-0.1 0.537 87.5 76.9 -69.7 -3.5 14.5 15.0 31.5 82 82 L D G < + 0 0 2 -3,-2.4 -1,-0.3 86,-0.1 2,-0.2 0.455 59.9 124.2 -85.7 0.5 10.8 14.8 32.4 83 83 L F < + 0 0 12 -3,-1.6 2,-0.3 85,-0.1 22,-0.1 -0.464 45.4 105.2 -59.1 124.6 11.4 16.7 35.6 84 84 L A E S- H 0 104B 2 20,-0.9 20,-2.9 -2,-0.2 2,-0.5 -0.978 74.2 -88.9 177.9 176.3 8.9 19.6 35.2 85 85 L T E -EH 38 103B 29 -47,-2.4 -47,-2.6 -2,-0.3 2,-0.4 -0.958 40.6-152.7-110.5 130.4 5.6 21.1 36.2 86 86 L Y E -EH 37 102B 0 16,-2.6 16,-2.0 -2,-0.5 2,-0.4 -0.866 11.2-170.5-108.2 139.7 2.7 19.8 34.2 87 87 L Y E -E 36 0B 9 -51,-2.8 -51,-2.8 -2,-0.4 2,-0.3 -0.983 13.8-147.5-130.9 137.9 -0.5 21.8 33.6 88 88 L a E -E 35 0B 0 -2,-0.4 11,-2.8 -53,-0.2 2,-0.4 -0.709 17.0-158.5 -96.6 155.2 -3.9 20.9 32.1 89 89 L L E -EI 34 98B 0 -55,-2.0 -55,-2.4 -2,-0.3 2,-0.5 -0.969 11.1-152.4-138.7 125.7 -5.9 23.6 30.2 90 90 L Q E +EI 33 97B 2 7,-2.6 7,-1.7 -2,-0.4 -57,-0.2 -0.815 28.6 157.6 -92.3 124.7 -9.6 23.8 29.4 91 91 L H + 0 0 2 -59,-2.2 -58,-0.1 -2,-0.5 -1,-0.1 0.171 39.3 101.1-138.7 18.2 -10.1 25.8 26.2 92 92 L G S S+ 0 0 5 -60,-0.6 496,-2.1 1,-0.2 2,-0.3 0.731 97.1 9.2 -78.4 -19.4 -13.5 24.8 24.7 93 93 L E B S-J 587 0C 49 494,-0.2 494,-0.2 -61,-0.2 -1,-0.2 -0.987 96.7 -61.3-155.8 153.3 -15.1 28.0 26.1 94 94 L S S S+ 0 0 15 492,-2.5 2,-0.1 -2,-0.3 -3,-0.1 -0.519 105.9 48.9 -84.6 147.1 -14.0 31.3 27.8 95 95 L P S S- 0 0 16 0, 0.0 -93,-0.4 0, 0.0 2,-0.1 0.560 85.0-143.8 -76.9 146.4 -12.6 31.9 30.2 96 96 L W - 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