==== 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 18-MAY-09 3HI5 . COMPND 2 MOLECULE: HEAVY CHAIN OF FAB FRAGMENT OF AL-57 AGAINST ALPH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,J.WANG . 430 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 39.8 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 . 55 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 6.3 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 . 4 0.9 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 8 3 1 6 9 0 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 . 1 0 4 1 2 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 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 2 H V 0 0 93 0, 0.0 2,-0.3 0, 0.0 24,-0.3 0.000 360.0 360.0 360.0 130.2 47.0 -31.5 12.4 2 3 H Q E -A 24 0A 98 22,-2.8 22,-1.3 24,-0.1 2,-0.6 -0.937 360.0-164.8-156.6 126.2 45.4 -34.3 10.5 3 4 H L E -Ab 23 110A 5 106,-0.5 108,-0.8 -2,-0.3 2,-0.5 -0.947 22.0-171.3-107.6 111.2 42.2 -36.5 10.6 4 5 H L E -A 22 0A 77 18,-2.5 18,-3.0 -2,-0.6 2,-0.2 -0.925 6.9-160.9-114.2 121.0 42.8 -39.4 8.2 5 6 H E E +A 21 0A 10 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.636 18.2 158.0-110.1 159.0 39.8 -41.7 7.5 6 7 H S E +A 20 0A 64 14,-2.0 14,-2.5 -2,-0.2 3,-0.1 -0.924 41.2 76.6-159.7 171.9 39.2 -45.1 6.2 7 8 H G + 0 0 33 1,-0.3 11,-0.4 -2,-0.3 106,-0.1 0.132 60.6 127.1 104.5 -19.5 36.6 -47.9 6.2 8 9 H G + 0 0 27 12,-0.1 -1,-0.3 9,-0.1 2,-0.3 -0.219 28.9 112.4 -66.5 160.3 34.0 -46.5 3.7 9 10 H G - 0 0 27 105,-0.3 107,-2.5 104,-0.1 2,-0.3 -0.990 61.5 -34.7 167.4-164.4 32.8 -48.5 0.8 10 11 H L E +e 116 0B 64 -2,-0.3 2,-0.3 105,-0.2 107,-0.2 -0.678 54.3 171.6 -89.6 135.6 30.0 -50.3 -1.0 11 12 H V E -e 117 0B 19 105,-2.7 107,-2.2 -2,-0.3 3,-0.1 -0.997 31.7-119.8-147.4 144.4 27.4 -52.2 1.1 12 13 H Q > - 0 0 111 -2,-0.3 3,-2.5 105,-0.2 107,-0.2 -0.531 51.4 -86.9 -77.3 148.4 24.0 -54.0 0.7 13 14 H P T 3 S+ 0 0 64 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.363 120.8 27.6 -58.0 136.2 21.0 -52.6 2.6 14 15 H G T 3 S+ 0 0 54 71,-3.3 70,-0.7 1,-0.3 72,-0.1 0.138 102.2 116.4 93.4 -17.2 21.0 -54.2 6.0 15 16 H G < - 0 0 27 -3,-2.5 70,-2.2 70,-0.3 2,-0.3 0.052 58.4-119.9 -73.5-174.4 24.7 -54.7 5.9 16 17 H S - 0 0 61 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.933 21.6-179.3-133.3 153.3 27.5 -53.1 8.1 17 18 H L E - C 0 82A 26 65,-1.9 65,-3.6 -2,-0.3 2,-0.4 -0.969 15.2-148.2-143.3 154.4 30.6 -50.9 7.8 18 19 H R E - C 0 81A 128 -11,-0.4 2,-0.3 -2,-0.3 63,-0.2 -0.972 13.4-159.1-127.1 116.1 33.1 -49.6 10.3 19 20 H L E - C 0 80A 0 61,-2.2 61,-1.8 -2,-0.4 2,-0.3 -0.662 5.9-162.1 -88.3 146.9 34.7 -46.2 9.7 20 21 H S E -AC 6 79A 28 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.3 -0.925 8.0-165.0-124.2 155.1 38.0 -45.3 11.3 21 22 H a E -AC 5 78A 0 57,-1.6 57,-1.8 -2,-0.3 2,-0.7 -0.827 8.2-157.7-144.4 97.3 39.6 -41.8 11.8 22 23 H A E -AC 4 77A 44 -18,-3.0 -18,-2.5 -2,-0.3 2,-0.2 -0.701 15.9-157.9 -80.2 110.8 43.3 -41.7 12.7 23 24 H A E +A 3 0A 8 53,-2.5 2,-0.3 -2,-0.7 -20,-0.2 -0.603 18.6 163.0 -88.5 149.0 44.0 -38.3 14.4 24 25 H S E +A 2 0A 51 -22,-1.3 -22,-2.8 -2,-0.2 3,-0.1 -0.976 47.4 48.2-158.4 159.4 47.5 -36.7 14.6 25 26 H G S S+ 0 0 58 -2,-0.3 2,-0.3 -24,-0.3 -22,-0.1 0.296 106.2 51.3 92.4 -7.9 49.1 -33.3 15.3 26 27 H F S S- 0 0 21 -24,-0.1 2,-1.8 0, 0.0 3,-0.1 -0.969 100.3 -86.2-152.4 161.1 47.1 -32.7 18.4 27 28 H T > - 0 0 78 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.567 42.9-173.3 -75.1 86.3 46.2 -34.4 21.7 28 29 H F G > S+ 0 0 0 -2,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.829 74.6 69.8 -46.1 -42.5 43.1 -36.3 20.4 29 30 H S G 3 S+ 0 0 41 1,-0.3 -1,-0.3 44,-0.2 44,-0.1 0.663 93.9 56.9 -55.0 -22.6 42.2 -37.6 23.9 30 31 H R G < S+ 0 0 189 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.510 94.7 83.9 -89.3 -4.6 41.2 -34.0 25.0 31 32 H Y S < S- 0 0 44 -3,-2.0 2,-0.5 21,-0.2 68,-0.1 -0.762 75.1-122.4-114.2 144.3 38.5 -33.3 22.3 32 33 H V - 0 0 45 -2,-0.3 66,-0.7 66,-0.2 2,-0.3 -0.697 40.5-151.0 -68.8 124.0 34.9 -34.0 21.6 33 34 H M E -FG 50 97C 0 17,-1.6 17,-1.9 -2,-0.5 2,-0.3 -0.818 11.9-161.8-106.4 148.1 35.0 -35.9 18.2 34 35 H W E -FG 49 96C 31 62,-2.4 62,-1.5 -2,-0.3 2,-0.4 -0.851 19.5-147.6-126.4 155.3 32.2 -35.8 15.6 35 36 H W E +FG 48 95C 0 13,-2.4 12,-3.0 -2,-0.3 13,-1.2 -1.000 24.4 179.6-117.6 124.9 31.0 -37.7 12.6 36 37 H V E -FG 46 94C 0 58,-2.9 58,-3.5 -2,-0.4 2,-0.3 -0.985 8.4-159.0-123.3 134.9 29.3 -35.4 10.0 37 38 H R E -FG 45 93C 11 8,-2.9 8,-2.5 -2,-0.4 2,-0.4 -0.857 10.7-163.7-119.5 156.9 27.9 -36.7 6.7 38 39 H Q E -FG 44 92C 22 54,-2.2 54,-2.6 -2,-0.3 6,-0.2 -0.946 16.4-142.4-139.9 109.6 27.0 -35.1 3.4 39 40 H A > - 0 0 29 4,-0.5 3,-1.8 -2,-0.4 52,-0.2 -0.426 49.5 -75.5 -69.7 146.7 24.7 -36.9 0.9 40 41 H P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.195 119.1 0.6 -51.9 125.5 25.8 -36.5 -2.8 41 42 H G T 3 S+ 0 0 92 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.819 117.9 101.3 63.9 34.7 24.9 -33.0 -4.0 42 43 H K S < S- 0 0 139 -3,-1.8 -1,-0.2 1,-0.2 277,-0.0 -0.785 71.0 -89.6-137.2 178.7 23.4 -32.0 -0.5 43 44 H G - 0 0 28 -2,-0.2 -4,-0.5 1,-0.1 2,-0.4 0.048 47.7 -81.7 -81.5-167.0 24.3 -30.1 2.7 44 45 H L E +F 38 0C 12 274,-0.4 273,-0.5 -6,-0.2 2,-0.3 -0.803 40.3 177.7-106.4 137.6 26.0 -31.2 5.9 45 46 H E E -F 37 0C 89 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.1 -0.994 28.9-118.9-141.0 136.6 24.4 -33.0 8.9 46 47 H W E +F 36 0C 30 269,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.405 25.9 179.4 -70.2 145.5 25.8 -34.3 12.2 47 48 H V E - 0 0 1 -12,-3.0 13,-3.1 1,-0.4 2,-0.3 0.752 59.1 -21.7-112.0 -51.5 25.5 -38.0 12.8 48 49 H S E -FH 35 59C 0 -13,-1.2 -13,-2.4 11,-0.2 -1,-0.4 -0.978 52.2-162.9-158.9 153.8 27.1 -38.7 16.2 49 50 H Y E -FH 34 58C 46 9,-2.0 9,-2.4 -2,-0.3 2,-0.3 -0.951 5.0-154.8-141.6 169.3 29.6 -37.3 18.7 50 51 H I E -FH 33 57C 2 -17,-1.9 -17,-1.6 -2,-0.3 7,-0.2 -0.998 21.6-114.9-145.9 138.2 31.6 -38.5 21.7 51 52 H W > - 0 0 125 5,-2.3 3,-1.9 -2,-0.3 5,-0.1 -0.360 43.2 -99.5 -69.9 156.1 33.1 -36.9 24.9 52 53 H P T 3 S+ 0 0 29 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 0.835 123.9 46.4 -46.9 -45.0 37.0 -36.8 25.2 53 54 H S T 3 S- 0 0 92 -23,-0.1 20,-0.1 1,-0.1 18,-0.1 0.676 108.1-123.0 -70.0 -20.3 37.0 -39.9 27.5 54 55 H G S < S+ 0 0 28 -3,-1.9 17,-0.1 2,-0.2 -1,-0.1 0.501 80.0 121.2 83.8 7.1 34.6 -41.8 25.3 55 56 H G + 0 0 53 1,-0.1 2,-0.4 -5,-0.0 -5,-0.0 0.625 69.0 39.1 -82.0 -16.3 32.4 -42.1 28.4 56 57 H N - 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