==== 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 4K3E . 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 . 953 6 18 14 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 367 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 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 . 97 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 1 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 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 8 14 12 2 6 16 4 0 5 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 . 2 2 8 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 2 H V 0 0 105 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 111.4 -2.9 -13.3 7.4 2 3 H Q E -A 24 0A 143 22,-2.0 22,-1.5 148,-0.1 2,-0.4 -0.999 360.0-159.5-134.1 137.6 -2.5 -12.5 11.1 3 4 H L E -A 23 0A 12 -2,-0.4 150,-0.6 148,-0.3 2,-0.5 -0.938 7.5-168.4-114.9 137.0 -3.3 -9.4 13.1 4 5 H R E -A 22 0A 164 18,-1.3 18,-2.5 -2,-0.4 2,-0.3 -0.944 6.4-155.9-133.2 111.5 -1.8 -8.7 16.5 5 6 H E E -A 21 0A 8 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.620 16.0-179.7 -83.1 141.7 -2.9 -5.9 18.8 6 7 H S E +A 20 0A 52 14,-2.6 14,-2.5 -2,-0.3 149,-0.1 -0.992 24.1 91.7-141.4 148.4 -0.5 -4.5 21.4 7 8 H G S S- 0 0 44 -2,-0.3 2,-0.2 12,-0.2 12,-0.1 -0.938 72.4 -34.3 156.6-175.7 -0.8 -1.8 24.0 8 9 H P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 241,-0.1 -0.481 32.6-156.0 -74.3 141.9 -1.6 -1.3 27.7 9 10 H S S S+ 0 0 9 -2,-0.2 149,-2.6 1,-0.2 2,-0.4 0.555 85.1 48.5 -88.1 -11.6 -4.2 -3.4 29.4 10 11 H L E +d 158 0B 35 147,-0.2 2,-0.3 239,-0.1 149,-0.2 -0.997 62.2 165.8-134.2 132.3 -4.8 -0.6 31.9 11 12 H V E -d 159 0B 4 147,-2.2 149,-3.0 -2,-0.4 6,-0.1 -0.978 30.6-121.5-138.7 149.7 -5.3 3.1 31.4 12 13 H Q > - 0 0 103 -2,-0.3 3,-1.6 147,-0.2 70,-0.2 -0.617 40.8 -89.5 -90.0 153.7 -6.5 5.9 33.8 13 14 H P T 3 S+ 0 0 51 0, 0.0 70,-0.2 0, 0.0 -1,-0.1 -0.261 112.7 23.0 -58.2 148.1 -9.5 8.1 33.1 14 15 H S T 3 S+ 0 0 96 68,-3.0 67,-0.5 1,-0.3 69,-0.1 0.236 101.0 115.9 77.0 -11.5 -8.9 11.3 31.1 15 16 H Q S < S- 0 0 103 -3,-1.6 67,-2.3 67,-0.2 2,-0.6 -0.291 73.8-105.0 -78.1 169.6 -5.7 9.7 29.7 16 17 H T - 0 0 72 65,-0.2 2,-0.6 64,-0.2 64,-0.2 -0.887 25.6-142.7 -99.3 123.6 -5.1 8.9 26.0 17 18 H L E - B 0 79A 0 62,-2.7 62,-2.8 -2,-0.6 2,-0.5 -0.762 19.8-171.1 -83.3 121.3 -5.4 5.2 25.0 18 19 H S E + B 0 78A 63 -2,-0.6 2,-0.3 60,-0.2 60,-0.2 -0.964 5.9 178.6-120.5 120.0 -2.9 4.3 22.4 19 20 H L E - B 0 77A 2 58,-2.8 58,-2.4 -2,-0.5 2,-0.4 -0.792 12.2-154.9-117.5 158.6 -2.9 1.0 20.6 20 21 H T E -AB 6 76A 35 -14,-2.5 -14,-2.6 -2,-0.3 2,-0.4 -0.994 3.0-153.8-133.5 140.6 -0.8 -0.7 17.8 21 22 H a E -AB 5 75A 2 54,-2.8 54,-1.6 -2,-0.4 2,-0.6 -0.952 7.1-153.7-112.5 133.1 -1.6 -3.4 15.3 22 23 H T E -AB 4 74A 63 -18,-2.5 -18,-1.3 -2,-0.4 2,-0.3 -0.928 11.1-157.3-109.2 117.8 1.1 -5.6 13.8 23 24 H A E +A 3 0A 21 50,-1.8 2,-0.3 -2,-0.6 -20,-0.2 -0.722 12.6 178.4 -94.4 139.0 0.3 -7.1 10.3 24 25 H S E +A 2 0A 54 -22,-1.5 -22,-2.0 -2,-0.3 3,-0.1 -0.997 64.3 26.5-140.7 140.3 1.9 -10.2 9.0 25 26 H G S S+ 0 0 70 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.540 120.3 40.4 85.5 10.6 1.4 -12.0 5.7 26 27 H F 0 0 40 -24,-0.1 -1,-0.2 47,-0.1 -24,-0.0 -0.978 360.0 360.0-171.7 173.4 0.3 -8.8 4.0 27 28 H S 0 0 98 -2,-0.3 46,-0.0 -3,-0.1 43,-0.0 -0.469 360.0 360.0-120.7 360.0 0.8 -5.1 3.6 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 32 H K 0 0 142 0, 0.0 2,-0.1 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 152.2 -5.2 -3.8 2.3 30 33 H A - 0 0 10 65,-0.5 65,-2.2 67,-0.1 2,-0.4 -0.398 360.0-151.4 -70.5 143.2 -7.1 -1.4 4.5 31 34 H V E -EF 48 94C 10 17,-2.3 17,-2.5 63,-0.2 2,-0.3 -0.947 14.3-176.2-119.8 137.4 -7.0 -1.9 8.3 32 35 H G E -EF 47 93C 0 61,-2.5 61,-2.5 -2,-0.4 2,-0.5 -0.845 20.7-127.8-129.5 165.8 -9.7 -1.0 10.8 33 36 H W E +EF 46 92C 0 13,-3.0 12,-2.0 -2,-0.3 13,-1.1 -0.963 23.6 177.1-117.6 128.4 -10.4 -1.0 14.5 34 37 H V E -EF 44 91C 0 57,-2.4 57,-3.9 -2,-0.5 2,-0.3 -0.949 6.8-169.7-122.9 146.1 -13.5 -2.6 16.1 35 38 H R E -EF 43 90C 12 8,-2.5 8,-2.9 -2,-0.4 2,-0.4 -0.941 13.6-161.1-131.9 160.4 -14.2 -2.8 19.8 36 39 H Q E -EF 42 89C 41 53,-1.7 53,-2.2 -2,-0.3 6,-0.2 -0.910 12.3-154.5-139.5 111.7 -16.7 -4.5 22.1 37 40 H A > - 0 0 4 4,-0.5 3,-2.1 -2,-0.4 51,-0.2 -0.488 44.5 -81.6 -76.9 154.2 -17.3 -3.2 25.6 38 41 H P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.410 118.2 10.2 -61.9 126.7 -18.5 -5.8 28.1 39 42 H G T 3 S+ 0 0 24 1,-0.3 2,-0.2 -2,-0.2 865,-0.1 0.298 114.6 97.5 90.9 -6.9 -22.3 -6.2 27.7 40 43 H K S < S- 0 0 50 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.516 73.6 -98.6-112.7 175.6 -22.4 -4.1 24.5 41 44 H A - 0 0 25 -2,-0.2 -4,-0.5 1,-0.2 -1,-0.1 -0.315 53.3 -74.4 -85.0 168.7 -22.4 -4.7 20.7 42 45 H L E -E 36 0C 6 324,-0.2 2,-0.4 -6,-0.2 323,-0.3 -0.430 54.9-158.2 -56.1 138.8 -19.6 -4.6 18.3 43 46 H E E -E 35 0C 64 -8,-2.9 -8,-2.5 -3,-0.1 2,-0.1 -0.987 10.8-131.7-134.3 125.9 -18.7 -1.0 17.7 44 47 H W E +E 34 0C 2 -2,-0.4 -10,-0.2 319,-0.3 3,-0.1 -0.447 26.0 170.9 -71.3 141.0 -16.9 0.6 14.7 45 48 H L E - 0 0 0 -12,-2.0 12,-2.6 1,-0.3 2,-0.3 0.693 49.2 -76.9-112.9 -63.4 -14.0 3.0 15.5 46 49 H G E -EG 33 56C 0 -13,-1.1 -13,-3.0 10,-0.3 -1,-0.3 -0.984 34.4-134.7 176.5-178.6 -12.3 3.7 12.2 47 50 H S E -EG 32 55C 0 8,-2.2 8,-1.7 -2,-0.3 2,-0.3 -0.954 4.6-148.0-152.2 166.8 -9.9 2.6 9.4 48 51 H I E -EG 31 54C 8 -17,-2.5 -17,-2.3 -2,-0.3 6,-0.2 -0.967 22.1-154.1-141.8 125.1 -7.1 3.6 7.2 49 52 H D > - 0 0 39 4,-1.8 3,-1.3 -2,-0.3 -19,-0.1 -0.204 37.8 -87.4 -92.5-174.5 -6.7 2.2 3.7 50 53 H T T 3 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 0.866 128.3 55.4 -60.5 -38.4 -3.7 1.6 1.4 51 54 H G T 3 S- 0 0 72 2,-0.1 -1,-0.3 1,-0.1 -21,-0.0 0.622 117.4-116.8 -70.3 -13.3 -4.0 5.2 0.0 52 55 H G < + 0 0 25 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.587 64.7 144.6 87.8 12.7 -3.8 6.4 3.6 53 56 H S - 0 0 70 1,-0.0 -4,-1.8 2,-0.0 2,-0.3 -0.664 36.9-145.2 -83.7 139.7 -7.3 7.9 3.8 54 57 H T E -G 48 0C 64 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.803 15.5-173.8-110.3 146.7 -9.0 7.6 7.2 55 58 H G E -G 47 0C 7 -8,-1.7 -8,-2.2 -2,-0.3 2,-0.3 -0.993 10.1-167.5-136.6 144.3 -12.7 7.1 8.1 56 59 H Y E -G 46 0C 35 -2,-0.3 -10,-0.3 -10,-0.2 5,-0.1 -0.913 36.4 -92.7-133.1 152.2 -14.3 7.1 11.5 57 60 H N >> - 0 0 23 -12,-2.6 4,-1.5 -2,-0.3 3,-1.4 -0.528 44.2-136.0 -50.7 119.2 -17.5 6.3 13.4 58 61 H P T 34 S+ 0 0 83 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.881 100.0 53.8 -56.1 -42.0 -19.1 9.7 13.2 59 62 H G T 34 S+ 0 0 61 1,-0.2 -2,-0.1 2,-0.1 3,-0.0 0.651 120.5 32.3 -68.3 -15.7 -20.2 9.7 16.9 60 63 H L T X4 S+ 0 0 20 -3,-1.4 3,-2.6 -15,-0.1 4,-0.5 0.481 86.8 103.7-116.2 -8.7 -16.7 9.1 18.1 61 64 H K G >< S+ 0 0 130 -4,-1.5 3,-1.4 -3,-0.3 -2,-0.1 0.790 74.7 60.2 -48.5 -39.9 -14.6 10.9 15.4 62 65 H S G 3 S+ 0 0 115 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.621 110.9 42.5 -69.0 -11.5 -13.7 13.9 17.6 63 66 H R G < S+ 0 0 61 -3,-2.6 17,-2.4 16,-0.0 2,-0.3 0.416 104.9 83.7-109.4 -2.8 -12.0 11.5 20.0 64 67 H L E < +C 79 0A 20 -3,-1.4 2,-0.3 -4,-0.5 15,-0.2 -0.761 42.4 173.5-115.1 148.9 -10.2 9.3 17.5 65 68 H S E -C 78 0A 59 13,-1.4 13,-2.0 -2,-0.3 2,-0.4 -0.930 7.2-172.5-150.7 127.7 -7.0 9.3 15.4 66 69 H I E +C 77 0A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.982 10.8 165.7-124.8 129.8 -5.6 6.6 13.2 67 70 H T E -C 76 0A 77 9,-1.2 9,-2.6 -2,-0.4 2,-0.3 -0.836 15.3-152.0-132.1 170.9 -2.2 6.6 11.5 68 71 H K E -C 75 0A 70 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.966 11.4-156.4-145.2 159.4 -0.0 4.0 9.8 69 72 H D E >> -C 74 0A 53 5,-2.6 5,-1.9 -2,-0.3 4,-0.9 -0.856 3.7-171.3-141.0 100.7 3.6 3.2 9.1 70 73 H N T 45S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.830 85.5 60.2 -63.4 -34.9 4.2 0.9 6.1 71 74 H S T 45S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.955 115.4 32.5 -56.6 -54.2 7.9 0.5 6.9 72 75 H K T 45S- 0 0 144 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.501 107.5-128.8 -81.2 -4.9 7.2 -1.0 10.3 73 76 H S T <5 + 0 0 53 -4,-0.9 -50,-1.8 1,-0.2 2,-0.3 0.930 64.6 127.2 56.8 49.3 4.0 -2.6 8.9 74 77 H Q E < -BC 22 69A 52 -5,-1.9 -5,-2.6 -52,-0.2 2,-0.4 -0.984 48.5-152.3-140.4 149.2 1.9 -1.3 11.8 75 78 H V E -BC 21 68A 16 -54,-1.6 -54,-2.8 -2,-0.3 2,-0.3 -0.968 16.3-149.9-121.1 136.6 -1.3 0.8 12.3 76 79 H S E -BC 20 67A 30 -9,-2.6 -9,-1.2 -2,-0.4 2,-0.4 -0.774 6.3-163.2-107.0 148.7 -1.9 3.0 15.4 77 80 H L E -BC 19 66A 0 -58,-2.4 -58,-2.8 -2,-0.3 2,-0.4 -0.995 4.4-168.2-127.2 138.3 -5.1 3.9 17.1 78 81 H S E -BC 18 65A 40 -13,-2.0 -13,-1.4 -2,-0.4 2,-0.5 -0.990 5.1-173.8-129.6 126.6 -5.6 6.8 19.6 79 82 H V E -BC 17 64A 2 -62,-2.8 -62,-2.7 -2,-0.4 3,-0.4 -0.972 18.6-148.7-118.3 117.0 -8.6 7.4 21.8 80 82AH S + 0 0 45 -17,-2.4 -64,-0.2 -2,-0.5 -65,-0.1 -0.454 66.3 6.5 -87.6 155.2 -8.6 10.7 23.8 81 82BH S S S- 0 0 72 -67,-0.5 -1,-0.2 -2,-0.1 -65,-0.2 0.866 83.7-159.6 49.2 53.1 -10.0 11.5 27.2 82 82CH V - 0 0 0 -67,-2.3 -68,-3.0 -3,-0.4 2,-0.2 -0.231 14.5-176.2 -69.7 151.6 -11.0 7.9 28.0 83 83 H T > - 0 0 65 -70,-0.2 3,-2.3 -69,-0.1 4,-0.2 -0.723 50.8 -81.7-128.3-176.9 -13.7 7.0 30.6 84 84 H T G > S+ 0 0 36 1,-0.3 3,-1.6 -2,-0.2 75,-0.2 0.749 124.0 72.1 -60.2 -22.2 -14.9 3.7 31.9 85 85 H E G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -48,-0.1 -48,-0.1 0.651 90.2 60.4 -66.9 -14.6 -17.1 3.5 28.8 86 86 H D G < S+ 0 0 0 -3,-2.3 2,-0.4 2,-0.1 -1,-0.3 0.434 72.0 115.8 -95.5 -2.9 -13.9 2.9 26.8 87 87 H S < + 0 0 19 -3,-1.6 2,-0.3 -4,-0.2 71,-0.2 -0.576 49.1 115.6 -60.9 123.8 -13.1 -0.4 28.7 88 88 H A E S- H 0 157C 0 69,-1.8 69,-2.9 -2,-0.4 2,-0.6 -0.981 72.0 -83.6-172.9 171.3 -13.4 -3.0 26.0 89 89 H T E -FH 36 156C 31 -53,-2.2 -53,-1.7 -2,-0.3 2,-0.6 -0.894 44.7-149.9 -91.5 125.4 -11.7 -5.6 23.8 90 90 H Y E -FH 35 155C 0 65,-2.8 65,-2.1 -2,-0.6 2,-0.5 -0.877 9.5-160.9-104.7 121.5 -10.1 -3.8 20.9 91 91 H Y E -F 34 0C 8 -57,-3.9 -57,-2.4 -2,-0.6 2,-0.4 -0.873 9.9-150.3-105.7 126.5 -9.8 -5.7 17.6 92 92 H a E +F 33 0C 0 -2,-0.5 60,-2.1 -59,-0.2 2,-0.3 -0.762 32.0 177.5 -82.4 140.2 -7.4 -4.9 14.7 93 93 H T E -FI 32 151C 0 -61,-2.5 -61,-2.5 -2,-0.4 2,-0.5 -0.971 36.4-125.5-142.9 155.7 -9.0 -6.0 11.4 94 94 H T E -F 31 0C 5 56,-1.7 55,-2.7 -2,-0.3 2,-0.3 -0.909 39.9-164.3 -96.3 133.8 -8.5 -6.1 7.7 95 95 H V E - 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