==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUL-04 1TZI . COMPND 2 MOLECULE: FAB YADS2 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.A.FELLOUSE,C.WIESMANN,S.S.SIDHU . 533 3 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 52 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 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 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 5 4 7 2 5 6 2 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 5 0 3 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 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 0 149 0, 0.0 2,-1.3 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 125.2 38.1 56.5 28.5 2 2 A I - 0 0 52 94,-0.3 88,-0.2 88,-0.1 96,-0.1 -0.668 360.0-125.3 -73.3 98.6 35.8 53.4 28.5 3 3 A Q + 0 0 133 -2,-1.3 23,-0.5 22,-0.1 2,-0.3 0.078 36.5 180.0 -63.4 151.1 38.8 51.1 28.9 4 4 A M B -A 25 0A 11 94,-0.2 2,-0.8 21,-0.2 96,-0.4 -0.907 14.6-153.1-145.4 129.9 39.9 48.2 26.7 5 5 A T - 0 0 64 19,-1.5 2,-0.4 -2,-0.3 19,-0.4 -0.844 12.5-166.7-110.9 101.0 43.0 46.2 27.5 6 6 A Q - 0 0 6 -2,-0.8 17,-0.2 17,-0.2 3,-0.1 -0.697 12.1-141.9 -93.2 137.0 44.7 44.6 24.5 7 7 A S B +B 22 0B 54 15,-1.7 15,-2.0 -2,-0.4 2,-0.1 -0.984 69.9 32.4-151.9 144.5 47.4 41.9 24.9 8 8 A P - 0 0 52 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.620 64.1-153.8 -74.2 161.5 49.8 41.1 23.6 9 9 A S S S- 0 0 86 1,-0.2 94,-1.6 93,-0.1 2,-0.3 0.800 82.9 -4.8 -66.4 -32.4 51.1 44.5 22.5 10 10 A S E S+e 103 0C 66 92,-0.3 2,-0.3 75,-0.0 -1,-0.2 -0.972 73.4 179.3-156.5 155.2 53.0 42.6 19.7 11 11 A L E -e 104 0C 30 92,-2.4 94,-1.4 -2,-0.3 2,-0.3 -0.996 17.3-143.3-157.1 158.8 53.6 39.0 18.7 12 12 A S E +e 105 0C 54 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.887 20.1 167.7-119.4 154.2 55.3 36.6 16.3 13 13 A A E -e 106 0C 12 92,-1.2 94,-1.2 -2,-0.3 3,-0.1 -0.845 33.8-114.3-166.4 132.2 54.0 33.3 14.9 14 14 A S E > -e 107 0C 49 -2,-0.3 3,-1.7 92,-0.2 64,-0.2 -0.185 55.7 -74.5 -60.4 156.3 55.2 31.0 12.1 15 15 A V T 3 S+ 0 0 77 92,-0.8 64,-0.2 1,-0.2 -1,-0.1 -0.163 119.8 22.3 -46.8 143.9 52.9 30.5 9.1 16 16 A G T 3 S+ 0 0 39 62,-2.4 -1,-0.2 1,-0.2 63,-0.1 0.475 91.2 137.7 76.3 3.1 49.9 28.3 9.9 17 17 A D < - 0 0 66 -3,-1.7 61,-1.7 60,-0.1 2,-1.2 -0.335 64.1-108.3 -78.5 162.6 50.0 28.8 13.7 18 18 A R - 0 0 184 59,-0.2 2,-0.3 -2,-0.1 58,-0.2 -0.743 44.2-175.7 -92.7 89.5 47.0 29.4 15.9 19 19 A V E - C 0 75B 7 56,-1.4 56,-1.8 -2,-1.2 2,-0.3 -0.669 4.4-175.9 -83.9 138.7 47.4 33.1 16.8 20 20 A T E - C 0 74B 50 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.845 9.5-169.0-144.9 108.9 44.9 34.6 19.3 21 21 A I E - C 0 73B 0 52,-1.0 52,-1.3 -2,-0.3 2,-0.3 -0.665 16.9-163.8 -85.5 147.1 44.8 38.2 20.3 22 22 A T E -BC 7 72B 46 -15,-2.0 -15,-1.7 -2,-0.3 2,-0.3 -0.838 9.5-163.3-134.0 163.2 42.6 39.0 23.3 23 23 A a E - C 0 71B 0 48,-2.0 48,-1.6 -2,-0.3 2,-0.4 -0.966 10.8-144.1-149.0 156.6 40.9 42.1 24.9 24 24 A R E - C 0 70B 140 -19,-0.4 -19,-1.5 -2,-0.3 46,-0.2 -0.943 21.7-149.3-136.0 114.2 39.4 43.0 28.3 25 25 A A B -A 4 0A 16 44,-1.5 -21,-0.2 -2,-0.4 -22,-0.1 -0.069 18.8 -94.3 -85.0 175.0 36.4 45.4 28.5 26 26 A S - 0 0 22 -23,-0.5 -1,-0.1 -24,-0.1 -24,-0.1 0.227 59.6 -70.9 -69.8-160.5 35.0 47.9 31.0 27 27 A Q S S+ 0 0 181 42,-0.0 2,-0.4 0, 0.0 -1,-0.1 0.132 98.1 93.1 -93.4 20.7 32.4 47.2 33.7 28 28 A S S S- 0 0 34 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 -0.958 76.8-124.7-121.2 131.4 29.3 46.8 31.5 29 29 A Y + 0 0 102 -2,-0.4 -1,-0.2 2,-0.1 -3,-0.0 0.855 61.0 141.2 -5.9-108.8 27.6 43.8 29.9 30 30 A A - 0 0 2 1,-0.1 62,-0.1 -3,-0.1 -2,-0.1 0.914 37.2-165.4 58.7 91.9 27.8 45.4 26.4 31 31 A Y + 0 0 115 1,-0.2 2,-1.0 60,-0.1 -1,-0.1 0.119 51.5 118.5 -94.5 20.2 28.6 43.0 23.5 32 32 A A + 0 0 3 19,-0.1 59,-2.2 17,-0.1 2,-0.3 -0.106 35.6 146.6 -90.1 42.9 29.5 45.7 21.0 33 33 A V E -F 90 0C 0 -2,-1.0 18,-1.8 57,-0.2 2,-0.3 -0.610 22.2-178.5 -81.2 130.4 33.0 44.6 20.4 34 34 A A E -F 89 0C 1 55,-2.8 55,-1.8 -2,-0.3 2,-0.4 -0.842 14.0-148.1-119.2 164.1 34.5 45.0 17.0 35 35 A W E -FG 88 48C 1 13,-2.3 12,-2.4 -2,-0.3 13,-1.1 -1.000 12.5-168.0-134.7 136.0 37.9 44.1 15.6 36 36 A Y E -FG 87 46C 0 51,-3.0 51,-1.3 -2,-0.4 2,-0.5 -0.857 14.1-142.6-122.3 157.0 39.8 45.9 12.9 37 37 A Q E -FG 86 45C 23 8,-2.9 8,-2.1 -2,-0.3 2,-0.6 -0.982 14.5-166.7-120.8 121.5 42.9 45.1 10.8 38 38 A Q E -F 85 0C 13 47,-1.6 47,-2.6 -2,-0.5 5,-0.1 -0.904 2.1-164.1-114.1 105.7 45.3 48.0 10.0 39 39 A K - 0 0 36 -2,-0.6 3,-0.5 4,-0.4 45,-0.1 -0.588 50.1 -69.9 -77.4 150.1 47.9 47.3 7.3 40 40 A P S S- 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.130 113.9 -2.8 -51.6 130.0 50.8 49.9 7.4 41 41 A G S S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.961 114.0 106.4 54.9 57.3 49.9 53.5 6.3 42 42 A K S S- 0 0 124 -3,-0.5 -1,-0.2 3,-0.0 3,-0.1 -0.984 76.2 -84.6-167.7 152.7 46.4 52.5 5.5 43 43 A A - 0 0 23 -2,-0.3 -4,-0.4 1,-0.1 284,-0.1 -0.250 52.0-100.5 -64.7 143.2 42.8 52.8 6.6 44 44 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 281,-0.2 -0.357 34.5-148.4 -59.5 141.2 41.5 50.3 9.2 45 45 A K E -G 37 0C 92 -8,-2.1 -8,-2.9 -3,-0.1 2,-0.2 -0.973 15.7-122.7-117.0 128.0 39.5 47.5 7.7 46 46 A L E +G 36 0C 4 -2,-0.5 -10,-0.2 277,-0.3 3,-0.1 -0.464 35.5 165.3 -71.9 143.9 36.6 46.0 9.8 47 47 A L E + 0 0 0 -12,-2.4 8,-1.8 1,-0.4 2,-0.3 0.717 59.5 11.0-120.9 -60.7 36.8 42.2 10.4 48 48 A I E -GH 35 54C 0 -13,-1.1 -13,-2.3 6,-0.3 -1,-0.4 -0.964 59.3-170.9-134.8 143.9 34.4 41.1 13.2 49 49 A Y E >> + H 0 53C 37 4,-1.6 4,-1.4 -2,-0.3 3,-0.8 -0.883 68.2 24.7-138.5 170.0 31.5 42.8 15.1 50 50 A D T 34 S- 0 0 24 269,-0.5 -16,-0.2 268,-0.3 -1,-0.1 0.564 124.0 -78.7 43.7 14.5 29.2 42.2 18.1 51 51 A A T 34 S+ 0 0 1 -18,-1.8 -1,-0.3 2,-0.2 21,-0.2 -0.121 127.1 33.8 94.5 -33.3 32.3 40.0 19.1 52 52 A S T <4 S+ 0 0 63 -3,-0.8 12,-0.2 -19,-0.1 -2,-0.2 0.704 88.3 98.2-120.1 -34.9 31.4 37.0 16.8 53 53 A Y E < -H 49 0C 113 -4,-1.4 -4,-1.6 -5,-0.1 2,-0.5 -0.118 63.2-134.9 -66.2 162.5 29.8 38.2 13.6 54 54 A L E -H 48 0C 70 -6,-0.3 -6,-0.3 -4,-0.1 4,-0.1 -0.932 11.2-123.8-135.4 106.9 32.0 38.6 10.5 55 55 A Y > - 0 0 26 -8,-1.8 3,-1.5 -2,-0.5 263,-0.0 -0.040 49.4 -81.1 -52.1 151.3 32.0 41.5 8.0 56 56 A S T 3 S+ 0 0 94 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.225 111.9 14.4 -58.9 138.7 31.3 40.6 4.4 57 57 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.477 88.3 137.5 77.1 4.1 34.2 39.2 2.3 58 58 A V < - 0 0 19 -3,-1.5 -1,-0.3 -4,-0.1 4,-0.1 -0.655 61.2-100.6 -81.4 137.3 36.4 38.6 5.4 59 59 A P > - 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.166 21.8-118.5 -64.2 152.1 38.3 35.2 5.3 60 60 A S T 3 S+ 0 0 124 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.620 102.4 80.9 -63.8 -13.4 37.0 32.2 7.2 61 61 A R T 3 S+ 0 0 53 14,-0.1 15,-1.5 16,-0.1 2,-0.4 0.416 79.2 79.2 -79.0 4.6 40.3 32.1 9.2 62 62 A F E < +D 75 0B 2 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.951 52.9 151.6-116.3 134.3 39.0 34.9 11.6 63 63 A S E -D 74 0B 60 11,-0.9 11,-2.1 -2,-0.4 2,-0.3 -0.892 22.4-147.5-146.8 172.8 36.6 34.3 14.5 64 64 A G E -D 73 0B 13 -2,-0.3 2,-0.4 -12,-0.2 9,-0.2 -0.975 6.6-140.3-158.6 144.5 35.8 35.8 17.9 65 65 A S E -D 72 0B 61 7,-1.0 7,-0.8 -2,-0.3 2,-0.7 -0.848 4.1-168.0-108.6 128.8 34.6 35.0 21.4 66 66 A G E +D 71 0B 26 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.757 30.2 151.3-113.2 85.4 32.2 37.1 23.6 67 67 A S E > S-D 70 0B 71 3,-1.2 3,-1.0 -2,-0.7 2,-0.7 -0.723 70.7 -56.6-127.8 78.5 32.5 35.5 27.0 68 68 A G T 3 S- 0 0 50 -2,-0.5 3,-0.0 1,-0.2 0, 0.0 -0.837 114.5 -32.1 84.4-118.7 31.9 37.8 29.9 69 69 A T T 3 S+ 0 0 53 -2,-0.7 -44,-1.5 -44,-0.1 2,-0.9 0.292 118.4 101.5-108.3 4.0 34.5 40.6 29.4 70 70 A D E < +CD 24 67B 73 -3,-1.0 -3,-1.2 -46,-0.2 2,-0.3 -0.786 49.6 177.7-102.3 101.7 37.0 38.3 27.7 71 71 A F E -CD 23 66B 1 -48,-1.6 -48,-2.0 -2,-0.9 2,-0.3 -0.727 8.5-164.8-103.4 150.2 37.0 38.7 24.0 72 72 A T E -CD 22 65B 31 -7,-0.8 -7,-1.0 -2,-0.3 2,-0.3 -0.881 14.4-158.0-145.7 107.4 39.3 36.9 21.5 73 73 A L E -CD 21 64B 0 -52,-1.3 -52,-1.0 -2,-0.3 2,-0.4 -0.663 27.7-164.8 -70.2 136.6 40.1 37.5 17.9 74 74 A T E -CD 20 63B 11 -11,-2.1 -11,-0.9 -2,-0.3 2,-0.9 -0.916 20.8-164.3-143.2 111.9 41.4 34.2 16.6 75 75 A I E -CD 19 62B 0 -56,-1.8 -56,-1.4 -2,-0.4 3,-0.6 -0.787 8.1-167.8 -96.6 97.7 43.3 33.5 13.4 76 76 A S S S+ 0 0 71 -15,-1.5 2,-0.6 -2,-0.9 -1,-0.2 0.939 81.8 17.8 -51.5 -61.8 43.2 29.7 12.8 77 77 A S S S- 0 0 49 -59,-0.1 -1,-0.3 -16,-0.1 -59,-0.2 -0.790 87.0-144.1-118.5 87.8 45.8 29.5 10.0 78 78 A L - 0 0 0 -61,-1.7 -62,-2.4 -2,-0.6 -61,-0.1 -0.105 19.2-151.8 -48.9 141.7 47.9 32.6 10.1 79 79 A Q > - 0 0 54 -64,-0.2 3,-1.8 -63,-0.1 4,-0.2 -0.797 27.6-111.1-122.8 159.7 49.0 33.8 6.6 80 80 A P T 3 S+ 0 0 27 0, 0.0 91,-0.3 0, 0.0 3,-0.3 0.630 118.9 51.3 -62.9 -13.5 51.9 35.7 5.1 81 81 A E T 3 S+ 0 0 80 1,-0.1 87,-0.1 88,-0.1 88,-0.1 0.357 87.3 84.2-102.2 2.4 49.5 38.7 4.3 82 82 A D < + 0 0 1 -3,-1.8 2,-0.3 86,-0.1 22,-0.2 0.450 55.0 124.6 -88.1 -3.8 48.1 38.9 7.9 83 83 A F + 0 0 6 -3,-0.3 2,-0.3 -4,-0.2 22,-0.2 -0.454 42.3 102.4 -51.5 119.6 50.9 41.0 9.1 84 84 A A E S- I 0 104C 1 20,-0.8 20,-2.7 -2,-0.3 2,-0.6 -0.966 76.5 -82.7-178.4-179.8 49.2 44.2 10.5 85 85 A T E -FI 38 103C 26 -47,-2.6 -47,-1.6 -2,-0.3 2,-0.5 -0.937 41.8-156.0-105.2 109.3 48.2 46.0 13.7 86 86 A Y E -FI 37 102C 0 16,-2.0 16,-0.6 -2,-0.6 2,-0.4 -0.746 8.8-166.2 -87.6 124.2 44.8 44.6 14.9 87 87 A Y E -F 36 0C 10 -51,-1.3 -51,-3.0 -2,-0.5 2,-0.2 -0.930 5.6-153.1-111.3 137.3 42.7 46.9 17.1 88 88 A a E -F 35 0C 0 -2,-0.4 11,-2.3 -53,-0.2 2,-0.3 -0.586 10.6-165.7 -97.7 166.5 39.7 45.9 19.2 89 89 A Q E -F 34 0C 1 -55,-1.8 -55,-2.8 9,-0.2 2,-0.7 -0.843 19.6-154.3-162.0 113.8 36.8 48.2 20.1 90 90 A Q E +F 33 0C 4 -2,-0.3 -57,-0.2 -57,-0.3 4,-0.2 -0.845 30.1 165.2 -88.5 111.7 34.0 48.0 22.7 91 91 A A + 0 0 6 -59,-2.2 -1,-0.1 -2,-0.7 -58,-0.1 0.036 30.9 111.3-127.0 23.3 31.4 50.3 21.0 92 92 A Y S S+ 0 0 76 1,-0.1 -1,-0.1 -62,-0.1 -61,-0.1 0.945 97.4 13.3 -73.1 -51.1 28.1 49.7 22.7 93 93 A S S S- 0 0 81 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.759 136.1 -7.7 -95.1 -32.5 27.7 53.1 24.5 94 94 A S - 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