==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 25-MAY-11 2YK1 . COMPND 2 MOLECULE: FAB FRAGMENT, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TARS,S.KOTELOVICA,G.LIPOWSKY,M.BAUER,R.BEERLI,M.BACHMANN, . 370 8 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 33 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 . 2 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 0 PARALLEL BRIDGES PER LADDER . 4 5 7 2 4 6 1 1 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 . 1 2 2 2 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 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 3 H Q 0 0 158 0, 0.0 2,-0.3 0, 0.0 105,-0.2 0.000 360.0 360.0 360.0 148.6 -35.2 3.9 -4.8 2 4 H L B -a 106 0A 10 103,-2.2 105,-1.1 87,-0.2 2,-0.8 -0.668 360.0-112.2 -88.0 143.0 -33.6 7.3 -5.1 3 5 H L - 0 0 111 18,-0.5 18,-1.5 -2,-0.3 2,-0.4 -0.695 38.2-169.4 -77.9 110.5 -34.6 9.7 -7.9 4 6 H E E +B 20 0B 6 -2,-0.8 2,-0.3 16,-0.2 16,-0.2 -0.857 8.9 173.9-105.2 135.3 -31.6 10.0 -10.2 5 7 H S E +B 19 0B 65 14,-2.6 14,-2.4 -2,-0.4 104,-0.1 -0.948 17.2 100.6-140.3 158.4 -31.4 12.6 -13.0 6 8 H G - 0 0 36 -2,-0.3 12,-0.1 12,-0.2 10,-0.0 -0.608 68.6 -50.9 142.1 161.4 -29.0 14.0 -15.7 7 9 H P - 0 0 81 0, 0.0 10,-0.1 0, 0.0 102,-0.0 -0.201 32.2-149.2 -63.0 146.7 -28.3 13.8 -19.4 8 10 H G S S+ 0 0 15 103,-0.1 104,-2.4 1,-0.1 2,-0.4 0.375 81.9 58.9 -92.4 0.4 -27.8 10.3 -21.0 9 11 H L E +e 112 0C 42 102,-0.2 2,-0.4 129,-0.1 104,-0.2 -0.996 57.9 173.0-136.7 130.6 -25.4 11.7 -23.6 10 12 H V E -e 113 0C 11 102,-2.1 104,-2.3 -2,-0.4 6,-0.1 -0.999 28.2-125.8-137.3 135.2 -22.1 13.5 -23.1 11 13 H K > - 0 0 108 -2,-0.4 3,-2.1 102,-0.2 68,-0.2 -0.545 41.5 -90.8 -79.4 145.8 -19.5 14.6 -25.7 12 14 H P T 3 S+ 0 0 55 0, 0.0 68,-0.2 0, 0.0 -1,-0.1 -0.295 114.1 21.4 -53.5 141.7 -15.9 13.5 -25.3 13 15 H S T 3 S+ 0 0 89 66,-3.4 65,-0.6 1,-0.3 67,-0.1 0.180 105.8 103.1 82.7 -10.5 -13.9 16.1 -23.3 14 16 H E S < S- 0 0 105 -3,-2.1 65,-2.1 65,-0.2 2,-0.5 -0.272 77.7 -89.5 -94.9-177.8 -17.0 17.6 -21.7 15 17 H T - 0 0 66 62,-0.2 2,-0.4 63,-0.2 62,-0.2 -0.825 24.0-144.3-104.8 128.7 -18.4 17.1 -18.2 16 18 H L E - C 0 76B 2 60,-2.7 60,-2.5 -2,-0.5 2,-0.4 -0.758 22.0-170.4 -81.0 131.3 -20.9 14.4 -17.1 17 19 H S E + C 0 75B 37 -2,-0.4 2,-0.3 58,-0.2 58,-0.2 -0.994 10.2 168.6-129.6 128.0 -23.3 15.7 -14.4 18 20 H L E - C 0 74B 2 56,-2.5 56,-2.6 -2,-0.4 2,-0.3 -0.974 10.0-167.1-135.3 150.9 -25.8 13.6 -12.3 19 21 H T E -BC 5 73B 38 -14,-2.4 -14,-2.6 -2,-0.3 2,-0.3 -0.980 1.8-165.9-136.4 147.6 -28.0 14.4 -9.3 20 22 H a E -BC 4 72B 0 52,-2.8 52,-2.2 -2,-0.3 2,-0.4 -0.979 18.1-131.6-129.9 150.0 -30.0 12.3 -6.8 21 23 H T E + C 0 71B 63 -18,-1.5 -18,-0.5 -2,-0.3 2,-0.3 -0.821 36.6 156.6 -98.3 139.4 -32.6 13.3 -4.3 22 24 H V - 0 0 12 48,-2.1 2,-0.7 -2,-0.4 -2,-0.0 -0.975 36.4-138.4-159.0 141.4 -32.3 12.0 -0.7 23 25 H S S S- 0 0 86 -2,-0.3 2,-0.1 46,-0.0 45,-0.1 -0.926 72.0 -37.3-107.3 111.8 -33.4 13.0 2.8 24 26 H G + 0 0 36 -2,-0.7 2,-0.2 43,-0.2 69,-0.0 -0.401 69.4 152.8 80.0-153.1 -30.6 12.5 5.3 25 27 H G - 0 0 23 -2,-0.1 68,-0.2 1,-0.1 3,-0.1 -0.460 45.3-116.8 109.6 175.7 -28.1 9.7 5.3 26 28 H S S S+ 0 0 47 66,-3.0 21,-2.1 1,-0.4 2,-0.3 0.571 93.4 23.2-125.1 -28.6 -24.5 9.2 6.6 27 29 H I E -FG 46 92D 23 65,-1.0 65,-2.5 19,-0.2 -1,-0.4 -0.972 62.4-165.6-146.3 132.1 -22.5 8.5 3.4 28 30 H W E +FG 45 91D 12 17,-3.0 17,-2.8 -2,-0.3 2,-0.3 -0.986 24.7 153.2-123.3 134.1 -23.4 9.5 -0.2 29 31 H G E -FG 44 90D 6 61,-2.7 61,-2.6 -2,-0.4 2,-0.4 -0.913 35.2-122.0-156.2 173.8 -21.6 8.0 -3.1 30 36 H W E +FG 43 89D 2 13,-2.3 12,-2.9 -2,-0.3 13,-1.3 -0.984 19.2 178.5-131.2 140.8 -21.5 7.0 -6.7 31 37 H I E -FG 41 88D 12 57,-2.6 57,-3.8 -2,-0.4 2,-0.3 -0.978 10.3-161.0-136.9 144.0 -20.8 3.7 -8.4 32 38 H R E -FG 40 87D 14 8,-3.0 8,-3.1 -2,-0.3 55,-0.2 -0.895 10.4-159.6-130.5 165.4 -20.8 2.8 -12.1 33 39 H Q E - G 0 86D 24 53,-2.4 53,-2.5 -2,-0.3 6,-0.1 -0.864 13.8-146.9-146.9 100.4 -21.1 -0.2 -14.3 34 40 H P > - 0 0 20 0, 0.0 3,-2.2 0, 0.0 51,-0.2 -0.283 51.3 -72.5 -59.0 153.4 -19.8 -0.3 -17.9 35 41 H P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 49,-0.0 -0.304 120.0 1.9 -52.7 127.6 -21.8 -2.5 -20.3 36 42 H G T 3 S+ 0 0 91 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.554 114.9 102.4 69.0 13.1 -21.1 -6.1 -19.5 37 43 H K S < S- 0 0 144 -3,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.600 70.1 -91.9-120.7 180.0 -18.8 -5.4 -16.5 38 44 H G - 0 0 26 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.075 53.2 -72.1 -82.9-175.6 -18.7 -5.3 -12.7 39 45 H L - 0 0 13 247,-0.4 2,-0.5 -6,-0.1 -6,-0.2 -0.634 44.9-164.3 -84.0 132.6 -19.5 -2.5 -10.2 40 46 H E E -F 32 0D 53 -8,-3.1 -8,-3.0 -2,-0.3 2,-0.3 -0.982 15.6-132.2-122.4 124.9 -16.8 0.2 -9.9 41 47 H W E +F 31 0D 11 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.576 23.1 178.0 -75.3 133.4 -16.7 2.7 -7.0 42 48 H I E - 0 0 1 -12,-2.9 12,-2.7 1,-0.3 2,-0.3 0.860 54.8 -46.2-100.2 -48.9 -16.4 6.3 -8.0 43 49 H G E -FH 30 53D 0 -13,-1.3 -13,-2.3 10,-0.3 2,-0.3 -0.962 41.7-144.4 177.9 158.7 -16.4 8.3 -4.7 44 50 H S E -FH 29 52D 7 8,-2.2 8,-2.4 -2,-0.3 2,-0.4 -0.996 2.2-159.6-141.2 141.9 -18.0 8.8 -1.3 45 51 H I E -FH 28 51D 25 -17,-2.8 -17,-3.0 -2,-0.3 6,-0.2 -0.986 16.9-151.0-120.9 134.8 -18.7 11.8 0.9 46 52 H Y E > -F 27 0D 50 4,-2.8 3,-2.2 -2,-0.4 -19,-0.2 -0.577 32.1-105.6-100.8 162.5 -19.4 11.2 4.6 47 53 H S T 3 S+ 0 0 93 -21,-2.1 -20,-0.1 1,-0.3 -1,-0.1 0.762 121.4 63.2 -60.9 -23.1 -21.5 13.3 7.0 48 54 H S T 3 S- 0 0 90 -22,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.602 120.0-111.3 -66.8 -17.2 -18.1 14.6 8.4 49 55 H G S < S+ 0 0 42 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.147 70.5 147.3 95.6 -18.3 -17.4 16.1 5.0 50 56 H S - 0 0 54 -5,-0.1 -4,-2.8 1,-0.0 -1,-0.4 -0.309 29.7-165.0 -55.2 134.8 -14.6 13.5 4.5 51 57 H T E -H 45 0D 58 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.960 12.6-174.8-134.5 139.2 -14.4 12.7 0.8 52 58 H Y E -H 44 0D 66 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.3 -1.000 4.1-167.3-141.4 135.5 -12.7 9.8 -1.0 53 59 H Y E -H 43 0D 75 -2,-0.4 -10,-0.3 -10,-0.2 -11,-0.1 -0.908 35.2-100.0-123.6 152.6 -12.3 9.1 -4.7 54 60 H N > - 0 0 26 -12,-2.7 3,-1.8 -2,-0.3 7,-0.1 -0.574 35.8-140.1 -61.3 119.1 -11.2 6.2 -6.9 55 61 H P G > S+ 0 0 102 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.737 96.3 67.0 -62.0 -23.0 -7.6 7.1 -7.7 56 62 H S G 3 S+ 0 0 59 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.689 89.8 64.0 -69.4 -18.4 -7.9 5.9 -11.3 57 63 H L G X> S- 0 0 3 -3,-1.8 3,-2.5 1,-0.2 4,-0.6 -0.012 91.3-168.0 -90.2 31.3 -10.3 8.8 -12.0 58 64 H K T <4 - 0 0 165 -3,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.309 59.1 -21.1 4.2-112.0 -7.4 11.1 -11.3 59 65 H S T 34 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 18,-0.1 0.089 116.0 93.1-100.6 30.3 -8.4 14.7 -10.8 60 66 H R T <4 + 0 0 49 -3,-2.5 17,-2.5 16,-0.1 2,-0.4 0.628 61.1 87.1-101.6 -13.9 -11.7 14.4 -12.7 61 67 H V E < +D 76 0B 10 -4,-0.6 2,-0.4 -3,-0.4 15,-0.2 -0.721 41.9 174.6 -96.2 134.9 -14.3 13.6 -10.0 62 68 H T E +D 75 0B 84 13,-2.6 13,-2.8 -2,-0.4 2,-0.3 -0.975 6.9 179.8-132.7 121.9 -16.2 16.2 -8.0 63 69 H T E +D 74 0B 13 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.898 4.1 175.3-117.5 149.8 -19.0 15.0 -5.6 64 70 H S E -D 73 0B 63 9,-2.0 9,-2.5 -2,-0.3 2,-0.4 -0.970 17.5-150.8-147.6 161.0 -21.1 17.2 -3.4 65 71 H V E -D 72 0B 39 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.996 6.8-173.3-137.6 131.8 -24.1 17.0 -1.0 66 72 H D E > > +D 71 0B 67 5,-3.1 5,-2.0 -2,-0.4 3,-1.3 -0.792 9.7 174.8-120.4 83.7 -26.7 19.6 -0.2 67 73 H T G > 5S+ 0 0 82 -2,-0.4 3,-1.6 1,-0.3 -43,-0.2 0.863 77.2 61.7 -59.2 -38.6 -28.7 18.1 2.7 68 74 H S G 3 5S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.739 112.6 37.3 -61.5 -24.4 -30.8 21.3 3.2 69 75 H K G < 5S- 0 0 119 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.196 114.1-118.7-108.8 13.8 -32.1 20.8 -0.4 70 76 H N T < 5S+ 0 0 70 -3,-1.6 -48,-2.1 1,-0.2 2,-0.3 0.870 73.2 111.3 56.6 41.3 -32.3 17.0 -0.1 71 77 H Q E < -CD 21 66B 63 -5,-2.0 -5,-3.1 -50,-0.3 2,-0.3 -0.976 45.1-167.2-142.4 159.0 -29.8 16.3 -2.9 72 78 H F E -CD 20 65B 2 -52,-2.2 -52,-2.8 -2,-0.3 2,-0.3 -0.982 18.6-160.1-141.9 155.1 -26.3 15.0 -3.8 73 79 H S E -CD 19 64B 19 -9,-2.5 -9,-2.0 -2,-0.3 2,-0.4 -0.932 13.9-151.4-143.3 152.4 -24.4 15.3 -7.1 74 80 H L E -CD 18 63B 1 -56,-2.6 -56,-2.5 -2,-0.3 2,-0.4 -0.991 8.3-175.6-126.4 133.9 -21.6 14.0 -9.3 75 81 H R E -CD 17 62B 143 -13,-2.8 -13,-2.6 -2,-0.4 2,-0.5 -0.999 0.5-176.4-123.6 129.0 -19.5 15.8 -11.8 76 82 H L E -CD 16 61B 1 -60,-2.5 -60,-2.7 -2,-0.4 3,-0.3 -0.949 16.6-157.9-124.9 108.9 -16.9 13.9 -13.9 77 82AH S + 0 0 40 -17,-2.5 -62,-0.2 -2,-0.5 -63,-0.2 -0.239 62.1 21.3 -82.3 171.6 -14.9 16.1 -16.2 78 82BH S S S- 0 0 69 -65,-0.6 -1,-0.2 1,-0.1 -63,-0.2 0.806 82.2-168.4 45.6 47.6 -12.9 15.4 -19.5 79 82CH V - 0 0 0 -65,-2.1 -66,-3.4 -3,-0.3 2,-0.3 -0.216 13.3-176.6 -72.2 153.5 -14.8 12.3 -20.3 80 83 H T > - 0 0 76 -68,-0.2 3,-2.5 -67,-0.1 4,-0.2 -0.803 50.9 -80.2-130.8 178.9 -13.9 9.8 -22.9 81 84 H A G > S+ 0 0 73 1,-0.3 3,-1.6 -2,-0.3 32,-0.2 0.751 122.9 71.4 -50.1 -28.6 -15.5 6.6 -24.2 82 85 H A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -48,-0.0 -3,-0.0 0.667 90.2 60.8 -65.5 -14.1 -14.0 4.8 -21.2 83 86 H D G < S+ 0 0 3 -3,-2.5 2,-0.3 2,-0.0 -1,-0.3 0.447 71.6 119.8 -95.7 -0.8 -16.6 6.6 -19.0 84 87 H T < + 0 0 30 -3,-1.6 2,-0.3 -4,-0.2 28,-0.2 -0.520 43.6 116.9 -64.3 125.2 -19.6 5.1 -20.7 85 88 H A E S- I 0 111D 0 26,-1.7 26,-2.6 -2,-0.3 2,-0.6 -0.969 73.0 -87.4-173.3 163.6 -21.5 3.2 -18.0 86 89 H V E -GI 33 110D 41 -53,-2.5 -53,-2.4 -2,-0.3 2,-0.4 -0.861 50.1-152.0 -83.7 125.2 -24.7 3.0 -16.0 87 90 H Y E -GI 32 109D 0 22,-2.5 22,-2.2 -2,-0.6 2,-0.4 -0.884 11.5-166.9-103.3 134.8 -24.1 5.3 -13.1 88 91 H Y E -G 31 0D 7 -57,-3.8 -57,-2.6 -2,-0.4 2,-0.4 -0.953 12.9-147.9-120.1 136.8 -25.7 4.8 -9.7 89 92 H a E -G 30 0D 0 -2,-0.4 17,-3.1 -59,-0.2 2,-0.3 -0.810 20.5-166.2 -92.5 149.0 -26.0 7.1 -6.7 90 93 H V E -GJ 29 105D 11 -61,-2.6 -61,-2.7 -2,-0.4 2,-0.4 -0.995 10.1-165.4-138.0 137.7 -26.1 5.3 -3.3 91 94 H A E -GJ 28 104D 0 13,-2.6 13,-2.4 -2,-0.3 2,-0.5 -0.975 10.3-151.4-129.5 119.2 -27.0 6.6 0.2 92 95 H W E +GJ 27 103D 35 -65,-2.5 -66,-3.0 -2,-0.4 -65,-1.0 -0.777 27.3 157.6 -90.8 126.1 -26.1 4.7 3.4 93 96 H F E - 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