==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-APR-13 4K3D . COMPND 2 MOLECULE: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAI . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.C.EKIERT,F.WANG,I.A.WILSON . 909 7 13 11 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 368 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 91 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 4 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 2 0 1 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 . 7 7 17 2 4 17 5 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 7 4 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 H X 0 0 176 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 172.9 3.0 2.4 23.4 2 2 H V - 0 0 32 24,-0.1 2,-0.6 1,-0.1 24,-0.2 -0.380 360.0-136.6 -63.1 136.4 5.6 -0.1 24.7 3 3 H Q E -A 25 0A 148 22,-3.8 22,-2.6 -2,-0.1 2,-0.4 -0.885 20.6-169.1-100.4 121.6 6.7 -2.6 22.0 4 4 H L E +A 24 0A 26 -2,-0.6 2,-0.4 20,-0.2 157,-0.4 -0.916 7.8 178.1-113.4 132.8 6.9 -6.2 23.2 5 5 H R E -A 23 0A 141 18,-1.5 18,-1.9 -2,-0.4 2,-0.2 -0.935 14.2-152.6-139.1 114.8 8.5 -9.0 21.1 6 6 H E E +A 22 0A 20 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.575 17.6 178.3 -81.1 144.6 8.8 -12.6 22.4 7 7 H S E +A 21 0A 33 14,-2.8 14,-2.8 -2,-0.2 156,-0.1 -0.990 22.2 91.5-144.9 154.6 11.6 -14.8 21.1 8 8 H G S S- 0 0 37 -2,-0.3 12,-0.1 12,-0.2 2,-0.1 -0.843 72.1 -35.8 148.9 177.1 12.7 -18.4 21.8 9 9 H P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.356 33.4-156.2 -67.5 140.0 12.3 -22.0 20.7 10 10 H S S S+ 0 0 46 1,-0.2 156,-2.9 155,-0.1 2,-0.4 0.581 84.0 48.3 -87.8 -8.5 8.9 -23.1 19.4 11 11 H L E +d 166 0B 34 154,-0.2 2,-0.3 187,-0.1 156,-0.2 -0.995 63.3 167.8-138.3 127.5 9.9 -26.8 20.3 12 12 H V E -d 167 0B 8 154,-2.2 156,-2.1 -2,-0.4 6,-0.1 -0.985 31.1-119.0-138.4 146.6 11.4 -28.1 23.5 13 13 H K > - 0 0 97 -2,-0.3 3,-1.8 154,-0.2 72,-0.2 -0.569 42.4 -89.6 -84.6 149.3 11.9 -31.7 24.8 14 14 H P T 3 S+ 0 0 50 0, 0.0 72,-0.2 0, 0.0 -1,-0.1 -0.226 112.0 22.0 -55.1 145.2 10.3 -32.9 28.1 15 15 H S T 3 S+ 0 0 96 70,-3.9 69,-0.5 1,-0.3 71,-0.1 0.226 100.8 112.4 78.7 -10.6 12.4 -32.3 31.2 16 16 H Q S < S- 0 0 94 -3,-1.8 69,-2.7 69,-0.2 2,-0.5 -0.314 76.0 -99.3 -79.7 171.5 14.4 -29.6 29.5 17 17 H T - 0 0 71 66,-0.2 2,-0.6 67,-0.2 66,-0.2 -0.830 26.8-142.1 -95.1 129.1 14.3 -25.9 30.5 18 18 H L E - B 0 82A 0 64,-3.2 64,-2.7 -2,-0.5 2,-0.5 -0.839 21.2-171.6 -89.6 120.8 12.1 -23.6 28.4 19 19 H S E + B 0 81A 66 -2,-0.6 2,-0.3 62,-0.2 62,-0.2 -0.971 7.3 173.7-119.3 121.7 13.8 -20.2 28.0 20 20 H L E - B 0 80A 1 60,-2.9 60,-2.6 -2,-0.5 2,-0.3 -0.878 12.7-156.1-122.1 156.4 12.1 -17.3 26.4 21 21 H T E -AB 7 79A 33 -14,-2.8 -14,-2.8 -2,-0.3 2,-0.4 -0.981 2.7-163.9-132.7 147.0 13.1 -13.7 26.0 22 22 H a E -AB 6 78A 0 56,-2.7 56,-2.9 -2,-0.3 2,-0.5 -0.996 10.6-150.8-125.5 131.4 11.1 -10.5 25.5 23 23 H T E -AB 5 77A 30 -18,-1.9 -18,-1.5 -2,-0.4 2,-0.6 -0.927 15.9-166.0 -96.1 127.0 12.5 -7.2 24.2 24 24 H A E +A 4 0A 28 52,-1.7 2,-0.4 -2,-0.5 -20,-0.2 -0.940 11.2 176.5-119.9 104.9 10.4 -4.4 25.8 25 25 H S E +A 3 0A 54 -22,-2.6 -22,-3.8 -2,-0.6 2,-0.3 -0.936 27.9 84.7-115.8 133.0 11.0 -1.1 24.1 26 26 H G S S+ 0 0 53 -2,-0.4 2,-0.1 -24,-0.2 -24,-0.1 -0.913 78.9 4.2 176.4-151.9 9.2 2.1 24.9 27 27 H F > - 0 0 153 -2,-0.3 3,-1.5 1,-0.2 -25,-0.0 -0.407 59.4-144.2 -56.5 124.7 9.3 5.1 27.3 28 28 H S T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.742 99.0 53.6 -70.8 -20.4 12.5 4.5 29.4 29 29 H L T 3 S+ 0 0 134 2,-0.0 -1,-0.3 24,-0.0 2,-0.1 0.154 78.1 138.9 -96.9 19.7 10.7 6.0 32.5 30 30 H S < - 0 0 39 -3,-1.5 23,-0.1 1,-0.1 -4,-0.0 -0.439 41.5-159.8 -65.6 134.3 7.8 3.6 32.1 31 31 H D + 0 0 111 -2,-0.1 69,-0.3 21,-0.1 -1,-0.1 0.260 55.5 112.8-101.1 9.1 6.7 2.3 35.5 32 32 H K - 0 0 56 67,-0.1 21,-0.3 20,-0.1 67,-0.2 -0.460 64.4-129.5 -67.6 153.4 4.9 -0.7 34.1 33 33 H A E -E 98 0C 1 65,-3.0 65,-2.8 19,-0.1 2,-0.5 -0.545 14.4-122.2 -92.3 166.6 6.3 -4.1 34.9 34 34 H V E +EF 97 51C 21 17,-2.7 17,-2.5 63,-0.2 2,-0.2 -0.983 40.9 171.8-110.5 126.7 7.1 -6.7 32.2 35 35 H G E -EF 96 50C 0 61,-2.4 61,-2.2 -2,-0.5 2,-0.4 -0.693 28.6-127.6-128.5 172.9 5.3 -10.0 32.8 36 36 H W E +EF 95 49C 0 13,-2.4 12,-2.6 -2,-0.2 13,-1.2 -0.995 21.7 176.7-129.1 132.2 4.5 -13.3 31.3 37 37 H V E -EF 94 47C 0 57,-2.5 57,-3.7 -2,-0.4 2,-0.3 -0.967 10.2-165.5-125.6 144.6 1.1 -14.9 30.9 38 38 H R E -EF 93 46C 15 8,-2.6 8,-2.5 -2,-0.4 2,-0.4 -0.942 13.0-161.2-129.3 157.8 0.5 -18.2 29.1 39 39 H Q E -EF 92 45C 42 53,-2.2 53,-2.7 -2,-0.3 6,-0.2 -0.932 9.4-158.6-134.5 117.1 -2.5 -20.1 27.8 40 40 H A > - 0 0 14 4,-0.5 3,-2.3 -2,-0.4 51,-0.2 -0.614 45.8 -80.2 -82.5 148.6 -2.3 -23.7 27.2 41 41 H P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 116.5 7.7 -52.0 133.0 -4.8 -25.1 24.7 42 42 H G T 3 S+ 0 0 49 1,-0.2 2,-0.2 -3,-0.1 454,-0.0 0.430 113.9 99.6 75.1 1.3 -8.2 -25.6 26.3 43 43 H K S < S- 0 0 51 -3,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.631 75.3 -95.0-115.2 174.0 -7.2 -23.9 29.5 44 44 H A - 0 0 22 -2,-0.2 -4,-0.5 1,-0.1 -1,-0.1 -0.381 51.8 -84.2 -78.8 161.1 -7.5 -20.5 31.2 45 45 H L E -F 39 0C 5 321,-0.2 2,-0.4 -6,-0.2 320,-0.2 -0.388 50.1-156.4 -54.9 145.4 -5.0 -17.7 31.0 46 46 H E E -F 38 0C 66 -8,-2.5 -8,-2.6 318,-0.1 2,-0.2 -0.985 11.1-132.1-137.9 123.9 -2.3 -18.3 33.6 47 47 H W E +F 37 0C 1 316,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.497 23.6 175.1 -70.5 136.6 -0.0 -15.7 35.2 48 48 H L E - 0 0 0 -12,-2.6 12,-2.5 1,-0.3 2,-0.3 0.749 49.0 -78.7-104.1 -59.8 3.7 -16.7 35.4 49 49 H G E -FG 36 59C 0 -13,-1.2 -13,-2.4 10,-0.3 -1,-0.3 -0.984 33.8-131.4 174.4 178.9 5.4 -13.7 36.8 50 50 H S E -FG 35 58C 0 8,-2.1 8,-1.8 -2,-0.3 2,-0.3 -0.969 1.4-153.2-147.3 164.3 6.8 -10.2 36.3 51 51 H I E -FG 34 57C 11 -17,-2.5 -17,-2.7 -2,-0.3 6,-0.2 -0.988 17.6-159.1-136.9 146.1 9.8 -8.1 36.9 52 52 H D > - 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