==== 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 1JPT . 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 . 425 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 40.9 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 . 3 0.7 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 . 34 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.6 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+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 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 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 . 3 4 6 2 4 8 2 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 5 1 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 L D 0 0 83 0, 0.0 2,-0.7 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 170.5 -14.3 0.3 -13.3 2 2 L I - 0 0 1 93,-0.4 2,-0.4 91,-0.1 88,-0.1 -0.753 360.0-141.6 -83.1 119.5 -16.4 -1.3 -10.6 3 3 L Q - 0 0 110 -2,-0.7 23,-1.7 94,-0.0 2,-0.5 -0.683 10.6-156.0 -83.9 135.9 -16.3 1.1 -7.6 4 4 L M E -A 25 0A 14 94,-0.4 2,-0.6 -2,-0.4 96,-0.4 -0.944 8.6-171.3-114.9 120.8 -16.2 -0.6 -4.2 5 5 L T E -A 24 0A 81 19,-2.7 19,-2.5 -2,-0.5 2,-0.3 -0.956 4.7-163.0-116.3 115.5 -17.5 1.5 -1.2 6 6 L Q E -A 23 0A 3 -2,-0.6 17,-0.2 17,-0.2 94,-0.1 -0.688 18.0-118.7 -95.5 153.6 -16.9 0.1 2.3 7 7 L S E S+A 22 0A 56 15,-2.2 15,-3.0 -2,-0.3 2,-0.1 -0.994 80.4 16.3-143.9 132.7 -18.8 1.4 5.4 8 8 L P - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.771 64.7-146.5 -89.6-175.0 -17.9 2.6 7.8 9 9 L S S S- 0 0 74 1,-0.3 94,-2.2 93,-0.1 2,-0.3 0.747 83.1 -0.5 -82.1 -24.4 -14.3 3.9 7.2 10 10 L S E +d 103 0B 79 92,-0.3 2,-0.3 75,-0.0 -1,-0.3 -0.979 65.1 171.3-157.5 155.7 -13.4 3.2 10.9 11 11 L L E -d 104 0B 37 92,-2.1 94,-3.0 -2,-0.3 2,-0.4 -0.973 16.6-148.6-160.3 161.0 -15.0 1.8 14.0 12 12 L S E +d 105 0B 55 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.987 20.8 167.9-136.0 144.5 -14.0 0.8 17.5 13 13 L A E -d 106 0B 10 92,-1.8 94,-3.2 -2,-0.4 2,-0.1 -0.970 33.8 -97.3-149.8 164.8 -15.5 -1.9 19.7 14 14 L S E > -d 107 0B 45 -2,-0.3 3,-2.3 92,-0.2 64,-0.3 -0.456 49.6 -84.5 -85.7 159.7 -14.8 -3.8 22.8 15 15 L V T 3 S+ 0 0 73 92,-0.7 64,-0.2 1,-0.3 -1,-0.1 -0.387 120.2 25.2 -59.1 132.5 -13.2 -7.2 23.1 16 16 L G T 3 S+ 0 0 38 62,-2.8 -1,-0.3 1,-0.3 63,-0.1 0.225 95.4 126.2 94.8 -16.5 -16.0 -9.8 22.7 17 17 L D < - 0 0 70 -3,-2.3 61,-3.2 61,-0.2 2,-0.4 -0.349 64.7-112.7 -75.0 160.1 -18.3 -7.4 20.7 18 18 L R - 0 0 178 59,-0.2 2,-0.4 -3,-0.1 58,-0.2 -0.765 32.2-160.1 -91.5 134.6 -19.8 -8.2 17.3 19 19 L V E - B 0 75A 4 56,-2.7 56,-2.7 -2,-0.4 2,-0.4 -0.971 5.7-166.7-120.7 134.5 -18.4 -6.1 14.5 20 20 L T E + B 0 74A 59 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.980 6.5 179.4-124.0 132.1 -20.1 -5.5 11.1 21 21 L I E - B 0 73A 2 52,-2.4 52,-2.8 -2,-0.4 2,-0.3 -0.994 11.8-157.6-130.0 133.4 -18.4 -4.0 8.0 22 22 L T E -AB 7 72A 55 -15,-3.0 -15,-2.2 -2,-0.4 2,-0.3 -0.788 7.1-167.1-114.4 162.6 -20.3 -3.6 4.7 23 23 L a E -AB 6 71A 2 48,-2.2 48,-2.7 -2,-0.3 2,-0.5 -0.990 3.3-163.5-146.6 130.0 -19.1 -3.2 1.1 24 24 L R E -AB 5 70A 149 -19,-2.5 -19,-2.7 -2,-0.3 2,-0.3 -0.983 7.5-151.7-122.4 129.4 -21.1 -2.1 -2.0 25 25 L A E -A 4 0A 3 44,-2.5 -21,-0.2 -2,-0.5 4,-0.1 -0.746 24.4-124.2 -93.2 144.4 -20.1 -2.7 -5.6 26 26 L S S S+ 0 0 66 -23,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.709 92.9 6.1 -63.5 -19.9 -21.3 -0.2 -8.2 27 27 L R S S- 0 0 110 -24,-0.2 -1,-0.1 41,-0.1 -2,-0.0 -0.963 106.5 -54.0-155.9 166.5 -22.8 -3.1 -10.1 28 28 L D + 0 0 86 -2,-0.3 41,-0.2 1,-0.1 -2,-0.1 -0.152 41.1 177.2 -46.8 123.7 -23.4 -6.9 -9.8 29 29 L I > - 0 0 4 39,-2.1 3,-2.2 -4,-0.1 62,-0.2 0.281 37.9-129.3-112.9 7.0 -20.2 -8.8 -9.0 30 30 L K T 3 - 0 0 143 1,-0.3 39,-0.1 38,-0.2 3,-0.1 0.840 65.0 -60.0 49.9 43.6 -21.8 -12.2 -8.7 31 31 L S T 3 S+ 0 0 25 37,-0.4 2,-2.4 1,-0.2 -1,-0.3 0.482 95.9 134.8 67.7 5.6 -20.3 -13.1 -5.4 32 32 L Y < + 0 0 103 -3,-2.2 59,-2.3 18,-0.2 2,-0.4 -0.494 38.3 127.8 -83.1 74.4 -16.7 -12.8 -6.6 33 33 L L E -E 90 0B 0 -2,-2.4 18,-3.1 57,-0.2 2,-0.3 -0.989 37.7-172.6-137.6 124.1 -15.9 -10.8 -3.5 34 34 L N E -E 89 0B 2 55,-2.9 55,-2.5 -2,-0.4 2,-0.4 -0.816 14.4-142.6-116.1 156.2 -13.1 -11.5 -1.0 35 35 L W E -EF 88 48B 0 13,-2.0 12,-2.9 -2,-0.3 13,-1.4 -0.984 18.0-171.0-119.1 129.3 -12.2 -9.9 2.4 36 36 L Y E -EF 87 46B 1 51,-2.6 51,-2.6 -2,-0.4 2,-0.4 -0.894 11.8-147.1-119.5 148.1 -8.6 -9.3 3.4 37 37 L Q E -EF 86 45B 5 8,-2.6 8,-2.2 -2,-0.3 2,-0.5 -0.955 13.0-168.5-115.1 132.4 -7.2 -8.2 6.7 38 38 L Q E -E 85 0B 14 47,-2.9 47,-2.3 -2,-0.4 5,-0.1 -0.959 3.5-164.1-129.8 120.7 -4.1 -6.1 6.9 39 39 L K > - 0 0 44 -2,-0.5 3,-2.0 4,-0.4 45,-0.1 -0.614 48.4 -70.7 -92.0 155.7 -2.1 -5.4 10.1 40 40 L P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.144 116.8 3.1 -50.7 131.9 0.4 -2.6 10.2 41 41 L G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.589 110.5 103.7 70.8 10.7 3.5 -3.2 8.2 42 42 L K S < S- 0 0 120 -3,-2.0 -1,-0.2 1,-0.0 3,-0.1 -0.865 76.2-102.7-124.5 160.3 2.4 -6.6 6.8 43 43 L A - 0 0 25 -2,-0.3 -4,-0.4 1,-0.1 278,-0.1 -0.340 55.0 -90.8 -68.0 157.2 1.0 -7.9 3.6 44 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.332 37.5-147.0 -68.7 161.1 -2.8 -8.5 3.6 45 45 L K E -F 37 0B 87 -8,-2.2 -8,-2.6 -3,-0.1 274,-0.1 -0.998 18.6-117.5-130.3 126.4 -4.2 -12.0 4.7 46 46 L V E +F 36 0B 15 272,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.358 34.9 167.8 -67.0 147.7 -7.3 -13.4 3.2 47 47 L L E + 0 0 0 -12,-2.9 8,-2.7 1,-0.4 2,-0.3 0.667 66.4 17.0-118.6 -51.5 -10.2 -14.1 5.5 48 48 L I E -FG 35 54B 0 -13,-1.4 -13,-2.0 6,-0.2 -1,-0.4 -0.957 61.9-169.1-129.7 139.9 -13.3 -14.8 3.2 49 49 L Y E > + G 0 53B 70 4,-2.5 4,-2.5 -2,-0.3 3,-0.5 -0.921 69.6 18.4-129.6 157.2 -13.5 -15.8 -0.4 50 50 L Y T 4 S- 0 0 108 266,-0.4 2,-2.3 -2,-0.3 -16,-0.2 0.889 121.3 -76.7 47.6 48.3 -16.4 -16.0 -2.8 51 51 L A T 4 S+ 0 0 0 -18,-3.1 -1,-0.3 1,-0.2 21,-0.2 -0.148 126.9 31.2 63.1 -38.9 -18.4 -13.8 -0.5 52 52 L T T 4 S+ 0 0 83 -2,-2.3 2,-0.4 -3,-0.5 12,-0.3 0.445 86.7 103.0-128.8 -0.2 -19.2 -16.5 2.1 53 53 L S E < -G 49 0B 39 -4,-2.5 -4,-2.5 10,-0.1 2,-0.5 -0.756 62.7-131.6 -95.7 135.8 -16.5 -19.1 2.4 54 54 L L E -G 48 0B 67 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.690 26.0-124.8 -83.6 124.7 -14.0 -19.0 5.3 55 55 L A > - 0 0 3 -8,-2.7 3,-1.7 -2,-0.5 -1,-0.1 -0.251 38.7 -84.2 -65.7 152.9 -10.4 -19.3 4.1 56 56 L E T 3 S+ 0 0 165 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 -0.251 113.6 16.9 -58.8 141.8 -8.2 -22.1 5.6 57 57 L G T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.308 92.4 127.3 80.7 -10.2 -6.7 -21.3 8.9 58 58 L V < - 0 0 15 -3,-1.7 -1,-0.2 -11,-0.1 -11,-0.1 -0.648 67.5-105.2 -85.2 135.7 -9.0 -18.3 9.6 59 59 L P > - 0 0 47 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.223 24.5-122.7 -56.6 142.0 -10.8 -18.3 13.0 60 60 L S T 3 S+ 0 0 108 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.566 102.2 81.5 -66.5 -7.6 -14.5 -19.2 12.8 61 61 L R T 3 S+ 0 0 44 14,-0.1 15,-2.7 16,-0.1 2,-0.4 0.662 80.9 80.8 -71.2 -12.8 -15.5 -15.9 14.4 62 62 L F E < +C 75 0A 3 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.776 59.5 162.4 -92.8 133.9 -15.1 -14.4 10.9 63 63 L S E -C 74 0A 59 11,-2.1 11,-3.3 -2,-0.4 2,-0.3 -0.991 21.4-153.7-150.1 151.2 -18.0 -14.8 8.5 64 64 L G E +C 73 0A 12 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.924 14.4 172.7-125.4 149.7 -19.1 -13.2 5.2 65 65 L S E +C 72 0A 56 7,-2.2 7,-2.7 -2,-0.3 2,-0.2 -0.937 25.2 80.7-146.5 167.1 -22.5 -12.9 3.6 66 66 L G E -C 71 0A 31 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.481 35.7-154.8 122.7 170.3 -24.1 -11.2 0.6 67 67 L S E > +C 70 0A 79 3,-1.3 3,-1.4 -2,-0.2 2,-0.5 -0.938 62.9 25.9-168.4 172.1 -24.6 -11.4 -3.1 68 68 L G T 3 S- 0 0 26 -2,-0.3 -39,-2.1 1,-0.2 -37,-0.4 -0.483 129.1 -26.4 66.6-116.0 -25.3 -9.1 -6.0 69 69 L T T 3 S+ 0 0 49 -2,-0.5 -44,-2.5 -41,-0.2 2,-0.5 0.579 122.3 75.9-107.8 -14.9 -23.8 -5.7 -5.1 70 70 L D E < +BC 24 67A 65 -3,-1.4 -3,-1.3 -46,-0.2 2,-0.3 -0.879 52.1 170.4-111.3 128.6 -24.0 -5.8 -1.3 71 71 L Y E -BC 23 66A 1 -48,-2.7 -48,-2.2 -2,-0.5 2,-0.4 -0.935 12.7-160.1-134.4 154.3 -21.6 -7.8 1.0 72 72 L T E -BC 22 65A 36 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.5 -0.997 6.6-157.3-139.7 136.7 -21.0 -7.9 4.7 73 73 L L E -BC 21 64A 1 -52,-2.8 -52,-2.4 -2,-0.4 2,-0.4 -0.948 17.6-166.3-111.0 130.7 -18.1 -9.2 6.9 74 74 L T E -BC 20 63A 17 -11,-3.3 -11,-2.1 -2,-0.5 2,-0.6 -0.972 16.4-166.8-121.9 134.2 -19.0 -10.1 10.4 75 75 L I E -BC 19 62A 1 -56,-2.7 -56,-2.7 -2,-0.4 3,-0.4 -0.976 12.0-162.2-114.3 112.5 -16.6 -10.7 13.4 76 76 L S S S+ 0 0 65 -15,-2.7 2,-0.3 -2,-0.6 -1,-0.1 0.805 78.7 15.2 -67.9 -34.5 -18.7 -12.4 16.1 77 77 L S S S- 0 0 42 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.768 84.5-137.5-143.9 92.6 -16.5 -11.8 19.1 78 78 L L - 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