==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 23-FEB-12 4DVB . COMPND 2 MOLECULE: FAB FRAGMENT OF PRO-UPA ANTIBODY MAB-112; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.JIANG,K.A.BOTKJAER,L.M.ANDERSEN,C.YUAN,P.A.ANDREASEN,M.HUA . 854 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 348 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 70 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 9 2 14 6 10 18 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 9 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 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 Q 0 0 184 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 152.6 -51.5 -12.4 -56.2 2 2 A V - 0 0 28 24,-0.1 2,-0.4 22,-0.0 24,-0.2 -0.560 360.0-175.3 -76.4 130.6 -49.1 -9.7 -55.0 3 3 A K E -A 25 0A 98 22,-2.5 22,-2.2 -2,-0.3 2,-0.4 -0.994 15.1-175.3-133.4 135.4 -50.7 -7.2 -52.7 4 4 A L E -A 24 0A 13 -2,-0.4 105,-0.7 20,-0.2 2,-0.5 -0.993 7.1-172.9-129.9 120.3 -49.4 -4.0 -51.1 5 5 A Q E -A 23 0A 101 18,-1.9 18,-2.7 -2,-0.4 2,-0.2 -0.965 7.1-158.3-119.4 117.7 -51.5 -2.0 -48.6 6 6 A E E +A 22 0A 23 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.627 18.0 166.0 -89.0 148.4 -50.4 1.3 -47.3 7 7 A S E +A 21 0A 63 14,-2.2 14,-2.5 -2,-0.2 104,-0.1 -0.962 39.2 69.9-150.8 166.1 -51.7 2.9 -44.1 8 8 A G + 0 0 35 1,-0.3 11,-0.2 -2,-0.3 103,-0.1 0.285 53.8 150.0 108.6 -9.3 -50.9 5.7 -41.7 9 9 A G + 0 0 20 12,-0.1 -1,-0.3 84,-0.1 2,-0.3 -0.267 19.6 142.8 -57.6 139.9 -51.8 8.7 -43.7 10 10 A D - 0 0 69 101,-0.1 104,-1.9 102,-0.1 2,-0.4 -0.961 55.2 -81.8-164.2 171.1 -53.0 11.7 -41.7 11 11 A L E +d 114 0B 29 -2,-0.3 2,-0.4 102,-0.2 104,-0.2 -0.805 51.3 179.7 -84.7 130.0 -53.1 15.4 -41.2 12 12 A V E -d 115 0B 19 102,-2.5 104,-1.4 -2,-0.4 3,-0.1 -1.000 28.7-115.6-139.8 136.4 -49.9 16.6 -39.4 13 13 A K > - 0 0 148 -2,-0.4 3,-2.1 102,-0.2 72,-0.2 -0.346 47.9 -89.9 -62.9 146.6 -48.6 20.0 -38.2 14 14 A P T 3 S+ 0 0 55 0, 0.0 72,-0.2 0, 0.0 -1,-0.1 -0.368 118.8 29.1 -56.8 138.3 -45.4 21.2 -39.9 15 15 A G T 3 S+ 0 0 54 70,-2.9 69,-0.7 1,-0.3 71,-0.1 0.232 101.6 116.9 90.6 -12.6 -42.4 20.0 -37.9 16 16 A G < - 0 0 23 -3,-2.1 69,-2.4 69,-0.2 2,-0.3 -0.079 59.7-122.2 -79.4-179.1 -44.4 17.0 -36.8 17 17 A S - 0 0 55 66,-0.2 2,-0.3 67,-0.2 66,-0.2 -0.929 23.0-179.6-128.3 154.0 -43.8 13.3 -37.4 18 18 A L E - B 0 82A 24 64,-2.2 64,-3.1 -2,-0.3 2,-0.5 -0.984 16.9-142.6-153.3 140.3 -45.8 10.5 -39.0 19 19 A K E - B 0 81A 102 -2,-0.3 2,-0.4 62,-0.2 62,-0.2 -0.929 12.2-164.3-111.2 122.6 -45.3 6.8 -39.8 20 20 A L E - B 0 80A 0 60,-3.2 60,-2.4 -2,-0.5 2,-0.3 -0.814 7.8-160.2 -97.4 143.2 -46.5 5.1 -42.9 21 21 A S E -AB 7 79A 30 -14,-2.5 -14,-2.2 -2,-0.4 2,-0.4 -0.938 9.4-163.9-123.6 148.1 -46.8 1.3 -43.2 22 22 A a E -AB 6 78A 0 56,-2.4 56,-2.8 -2,-0.3 2,-0.6 -0.961 9.7-156.7-131.4 113.0 -46.9 -1.0 -46.2 23 23 A S E -AB 5 77A 60 -18,-2.7 -18,-1.9 -2,-0.4 2,-0.4 -0.817 14.2-158.5 -94.1 121.7 -48.1 -4.5 -45.7 24 24 A A E +A 4 0A 6 52,-2.6 2,-0.3 -2,-0.6 -20,-0.2 -0.790 18.8 158.0-106.1 140.4 -46.9 -7.0 -48.4 25 25 A S E +A 3 0A 51 -22,-2.2 -22,-2.5 -2,-0.4 3,-0.1 -0.955 47.0 53.2-148.0 167.1 -48.3 -10.4 -49.4 26 26 A G S S+ 0 0 55 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.533 103.0 52.3 84.8 8.3 -48.3 -12.8 -52.3 27 27 A F S S- 0 0 28 -24,-0.1 2,-1.3 -26,-0.1 -1,-0.2 -0.972 98.4 -83.8-161.3 165.2 -44.5 -12.9 -52.7 28 28 A T > - 0 0 64 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.671 42.0-167.1 -81.0 97.0 -41.3 -13.6 -50.7 29 29 A F G > S+ 0 0 1 -2,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.793 78.5 62.7 -56.4 -39.2 -40.8 -10.1 -49.3 30 30 A S G 3 S+ 0 0 48 43,-0.3 -1,-0.3 1,-0.3 43,-0.1 0.609 97.0 60.2 -67.5 -13.0 -37.2 -10.7 -48.1 31 31 A R G < S+ 0 0 184 -3,-1.8 2,-0.4 2,-0.1 -1,-0.3 0.614 96.7 73.8 -87.8 -13.2 -36.0 -11.2 -51.7 32 32 A Y S < S- 0 0 86 -3,-1.4 2,-0.1 -4,-0.3 19,-0.0 -0.818 72.7-127.6-114.7 141.1 -37.0 -7.8 -53.1 33 33 A A - 0 0 23 -2,-0.4 65,-3.1 19,-0.1 2,-0.3 -0.443 34.8-153.3 -63.1 152.2 -35.9 -4.2 -52.9 34 34 A M E -EF 51 97C 0 17,-2.5 17,-2.6 63,-0.2 2,-0.3 -0.967 11.6-169.1-136.2 150.6 -38.8 -1.9 -51.9 35 35 A S E -EF 50 96C 0 61,-2.5 61,-2.5 -2,-0.3 2,-0.4 -0.898 18.1-140.9-136.8 163.6 -39.6 1.7 -52.5 36 36 A W E -EF 49 95C 0 13,-2.6 12,-2.4 -2,-0.3 13,-1.4 -0.988 20.2-179.8-121.2 138.5 -41.8 4.7 -51.7 37 37 A V E -EF 47 94C 0 57,-2.4 57,-3.8 -2,-0.4 2,-0.3 -0.989 10.5-154.2-135.1 141.1 -43.0 7.2 -54.3 38 38 A R E -EF 46 93C 5 8,-3.1 8,-2.6 -2,-0.3 2,-0.4 -0.816 4.0-151.4-114.4 154.6 -45.2 10.2 -53.7 39 39 A Q E -EF 45 92C 11 53,-2.7 53,-2.7 -2,-0.3 6,-0.2 -0.974 15.4-144.3-130.2 121.3 -47.6 12.1 -55.9 40 40 A T > - 0 0 30 4,-1.7 3,-2.2 -2,-0.4 51,-0.2 -0.154 34.4 -99.5 -72.7 166.9 -48.2 15.8 -55.3 41 41 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.844 125.9 63.6 -56.0 -30.9 -51.6 17.5 -55.9 42 42 A E T 3 S- 0 0 148 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.348 117.6-116.3 -73.5 5.4 -50.1 18.6 -59.2 43 43 A K < + 0 0 106 -3,-2.2 2,-0.4 1,-0.2 -1,-0.1 0.547 64.1 150.3 69.5 10.5 -50.0 14.9 -60.2 44 44 A R - 0 0 122 1,-0.0 -4,-1.7 272,-0.0 2,-0.4 -0.611 43.5-134.7 -72.5 124.0 -46.1 15.0 -60.4 45 45 A L E -E 39 0C 6 -2,-0.4 2,-0.4 269,-0.3 268,-0.3 -0.721 27.3-177.2 -83.6 132.7 -44.6 11.6 -59.5 46 46 A E E -E 38 0C 43 -8,-2.6 -8,-3.1 -2,-0.4 2,-0.1 -0.978 23.8-130.9-141.2 116.7 -41.7 11.9 -57.1 47 47 A W E +E 37 0C 45 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.443 24.3 178.5 -66.2 138.2 -39.4 9.1 -55.8 48 48 A V E - 0 0 0 -12,-2.4 12,-2.6 1,-0.4 2,-0.3 0.823 52.9 -31.9-106.5 -56.9 -38.9 9.3 -52.0 49 49 A A E -EG 36 59C 0 -13,-1.4 -13,-2.6 10,-0.2 -1,-0.4 -0.985 44.3-153.5-163.6 158.7 -36.7 6.4 -50.9 50 50 A S E -EG 35 58C 5 8,-2.4 8,-2.2 -2,-0.3 2,-0.4 -0.972 4.4-162.2-137.8 155.9 -35.7 2.8 -51.6 51 51 A I E -EG 34 57C 5 -17,-2.6 -17,-2.5 -2,-0.3 6,-0.2 -0.992 16.5-134.7-140.7 128.4 -34.3 -0.1 -49.5 52 52 A T > - 0 0 41 4,-2.3 3,-1.0 -2,-0.4 -20,-0.1 -0.189 33.8-103.2 -72.3 171.5 -32.5 -3.2 -50.8 53 53 A N T 3 S+ 0 0 59 1,-0.2 -21,-0.1 -22,-0.2 -1,-0.1 0.849 125.3 54.1 -67.0 -30.1 -33.4 -6.7 -49.4 54 54 A G T 3 S- 0 0 33 -23,-0.1 -1,-0.2 2,-0.1 -21,-0.0 0.506 125.5-103.4 -76.8 -8.6 -30.2 -6.5 -47.3 55 55 A G < + 0 0 14 -3,-1.0 2,-0.3 1,-0.3 -2,-0.1 0.516 66.2 151.6 100.7 7.3 -31.3 -3.2 -45.9 56 56 A S - 0 0 64 1,-0.0 -4,-2.3 -5,-0.0 -1,-0.3 -0.545 34.3-144.1 -71.5 133.4 -29.2 -0.6 -47.7 57 57 A T E -G 51 0C 38 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.727 20.2-175.2-109.2 149.9 -31.1 2.7 -48.0 58 58 A Y E -G 50 0C 131 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.3 -0.993 9.5-171.8-141.8 134.1 -31.4 5.4 -50.6 59 59 A Y E -G 49 0C 53 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.927 25.4-114.1-128.7 150.1 -33.2 8.7 -50.2 60 60 A S >> - 0 0 14 -12,-2.6 3,-1.7 -2,-0.3 4,-1.1 -0.497 33.9-114.4 -75.3 152.9 -34.1 11.6 -52.5 61 61 A D T 34 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.2 -13,-0.1 0.700 113.6 66.2 -62.1 -20.6 -32.5 15.0 -51.8 62 62 A S T 34 S+ 0 0 59 1,-0.2 -1,-0.3 -14,-0.1 -14,-0.1 0.723 114.3 26.7 -70.8 -23.8 -35.9 16.3 -50.9 63 63 A V T X> S+ 0 0 0 -3,-1.7 4,-2.2 -15,-0.2 3,-1.9 0.418 85.2 133.9-122.9 -2.4 -36.3 14.1 -47.8 64 64 A K T 3< S+ 0 0 144 -4,-1.1 4,-0.1 1,-0.3 449,-0.0 -0.231 78.4 13.4 -52.6 131.2 -32.6 13.4 -46.8 65 65 A G T 34 S+ 0 0 8 2,-0.3 449,-2.5 447,-0.1 -1,-0.3 0.087 127.2 58.8 88.5 -21.5 -32.0 13.9 -43.1 66 66 A R T <4 S+ 0 0 12 -3,-1.9 17,-2.2 447,-0.2 2,-0.3 0.750 92.9 58.5-111.2 -34.6 -35.8 13.8 -42.3 67 67 A F E < -C 82 0A 2 -4,-2.2 2,-0.4 15,-0.2 -2,-0.3 -0.752 59.2-157.9-104.9 148.5 -37.3 10.5 -43.6 68 68 A I E -C 81 0A 3 13,-2.5 13,-2.8 -2,-0.3 2,-0.5 -0.994 1.0-161.2-125.6 125.3 -36.4 7.0 -42.6 69 69 A I E +C 80 0A 0 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.907 24.9 159.7-100.9 132.8 -37.1 4.0 -44.8 70 70 A S E -C 79 0A 6 9,-1.8 9,-2.9 -2,-0.5 2,-0.3 -0.944 20.4-153.4-146.3 165.9 -37.0 0.6 -42.9 71 71 A R E -C 78 0A 18 -2,-0.3 2,-0.4 7,-0.2 430,-0.4 -0.969 13.2-152.0-143.5 158.2 -38.3 -2.9 -43.3 72 72 A D E >> -C 77 0A 19 5,-2.2 5,-1.7 -2,-0.3 4,-1.4 -0.881 8.1-172.2-132.0 101.2 -39.2 -6.0 -41.3 73 73 A N T 45S+ 0 0 29 428,-0.5 -43,-0.3 -2,-0.4 -44,-0.1 0.625 85.9 54.9 -67.5 -16.7 -38.7 -9.2 -43.2 74 74 A A T 45S+ 0 0 74 1,-0.1 -1,-0.2 3,-0.1 428,-0.0 0.853 117.8 32.6 -82.3 -38.8 -40.4 -11.3 -40.5 75 75 A R T 45S- 0 0 125 -3,-0.3 -2,-0.2 2,-0.1 -51,-0.1 0.528 104.2-127.1 -92.2 -10.0 -43.6 -9.3 -40.5 76 76 A N T <5 + 0 0 49 -4,-1.4 -52,-2.6 1,-0.2 2,-0.4 0.941 60.0 143.8 56.7 51.6 -43.4 -8.4 -44.3 77 77 A I E < -BC 23 72A 35 -5,-1.7 -5,-2.2 -54,-0.2 2,-0.4 -0.984 40.0-159.7-126.2 128.7 -43.8 -4.7 -43.6 78 78 A L E -BC 22 71A 0 -56,-2.8 -56,-2.4 -2,-0.4 2,-0.3 -0.910 21.2-165.2-100.6 133.9 -42.2 -1.7 -45.3 79 79 A S E -BC 21 70A 21 -9,-2.9 -9,-1.8 -2,-0.4 2,-0.4 -0.872 18.9-166.9-120.5 151.7 -42.1 1.5 -43.2 80 80 A L E -BC 20 69A 0 -60,-2.4 -60,-3.2 -2,-0.3 2,-0.6 -0.951 8.2-166.6-133.2 117.0 -41.6 5.2 -43.8 81 81 A Q E -BC 19 68A 11 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.6 -0.918 6.2-164.2-102.7 122.1 -41.0 7.5 -40.9 82 82 A M E +BC 18 67A 0 -64,-3.1 -64,-2.2 -2,-0.6 2,-0.3 -0.907 10.9 177.0-108.4 119.6 -41.3 11.1 -41.7 83 83 A S + 0 0 2 -17,-2.2 -66,-0.2 -2,-0.6 -67,-0.2 -0.758 63.4 24.3-114.4 167.5 -39.9 13.6 -39.2 84 84 A S S S- 0 0 48 -69,-0.7 -1,-0.2 -2,-0.3 -68,-0.2 0.899 89.1-155.8 45.7 48.4 -39.6 17.4 -39.3 85 85 A L - 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