==== 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, ANTITUMOR PROTEIN 11-MAR-09 3GKW . COMPND 2 MOLECULE: HEAVY CHAIN OF THE ANTIBODY NIMOTUZUMAB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TALAVERA,R.FRIEMANN,C.MARTINEZ-FLEITES,E.MORENO,U.KRENGEL . 401 6 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 38.2 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 5 5 2 3 6 1 2 1 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 . 0 2 3 1 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 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 6 H Q 0 0 152 0, 0.0 2,-0.0 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 144.5 3.5 -9.2 -31.4 2 7 H S - 0 0 35 1,-0.1 110,-0.2 110,-0.0 108,-0.1 -0.315 360.0-118.9 -86.8 164.2 5.0 -11.1 -28.6 3 8 H G E -a 112 0A 20 108,-2.9 110,-2.2 107,-0.2 2,-0.3 -0.425 19.2-158.9 -92.8 177.5 5.2 -14.9 -28.3 4 9 H A E +a 113 0A 6 108,-0.3 2,-0.3 -2,-0.1 110,-0.2 -0.879 14.5 168.1-159.3 119.6 3.6 -17.1 -25.7 5 10 H E E -a 114 0A 107 108,-1.9 110,-2.9 -2,-0.3 2,-0.4 -0.975 23.2-145.7-133.6 153.6 4.6 -20.7 -24.7 6 11 H V E -a 115 0A 30 -2,-0.3 2,-0.3 108,-0.2 110,-0.2 -0.945 21.0-174.2-113.4 136.3 3.7 -23.2 -21.9 7 12 H K E -a 116 0A 75 108,-3.2 110,-2.0 -2,-0.4 3,-0.1 -0.985 24.2-115.0-134.8 143.7 6.5 -25.5 -20.7 8 13 H K > - 0 0 127 -2,-0.3 3,-2.2 108,-0.2 73,-0.2 -0.483 45.2 -87.0 -79.3 145.5 6.3 -28.4 -18.2 9 14 H P T 3 S+ 0 0 76 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.275 115.0 26.7 -50.0 129.6 8.2 -28.2 -15.0 10 15 H G T 3 S+ 0 0 53 71,-2.8 70,-0.7 1,-0.4 72,-0.1 0.052 99.9 104.1 107.6 -20.4 11.8 -29.5 -15.4 11 16 H S < - 0 0 44 -3,-2.2 70,-3.3 70,-0.2 -1,-0.4 -0.069 66.7-113.8 -86.3-171.5 12.1 -28.6 -19.2 12 17 H S - 0 0 45 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.878 15.2-150.5-122.9 154.0 14.0 -25.8 -20.9 13 18 H V E -F 78 0B 5 65,-2.6 65,-2.2 -2,-0.3 2,-0.5 -0.968 4.6-162.0-122.7 143.4 12.8 -22.9 -22.9 14 19 H K E -F 77 0B 122 -2,-0.4 2,-0.3 63,-0.2 63,-0.2 -0.993 10.5-172.6-124.6 126.9 14.8 -21.2 -25.6 15 20 H V E -F 76 0B 7 61,-2.5 61,-1.9 -2,-0.5 2,-0.3 -0.912 7.2-151.5-120.2 142.2 13.8 -17.6 -26.7 16 21 H S E -F 75 0B 62 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.805 2.4-155.5-115.9 159.9 15.2 -15.6 -29.7 17 22 H a E -F 74 0B 4 57,-1.9 57,-2.0 -2,-0.3 2,-0.5 -0.964 7.6-151.1-136.3 114.8 15.6 -11.9 -30.3 18 23 H K E +F 73 0B 130 -2,-0.4 55,-0.2 55,-0.2 2,-0.2 -0.726 31.3 152.1 -85.1 128.0 15.7 -10.3 -33.8 19 24 H A - 0 0 18 53,-2.2 2,-0.2 -2,-0.5 3,-0.0 -0.633 36.9 -93.5-138.4-165.9 17.7 -7.2 -34.0 20 25 H S > - 0 0 56 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.718 29.2-103.6-116.8 168.8 19.7 -5.4 -36.7 21 26 H G H > S+ 0 0 44 -2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.898 122.7 51.8 -48.3 -44.0 23.2 -5.2 -38.1 22 27 H Y H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 108.5 50.3 -69.3 -37.1 23.6 -1.8 -36.4 23 28 H T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.938 108.4 51.7 -61.9 -48.4 22.5 -3.2 -33.1 24 29 H F H < S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.756 116.8 41.5 -63.0 -21.1 25.0 -6.2 -33.3 25 30 H T H < S+ 0 0 88 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.792 126.2 27.5 -90.5 -31.3 27.8 -3.6 -34.0 26 31 H N H < S+ 0 0 18 -4,-1.8 70,-3.2 -5,-0.2 71,-0.6 0.499 109.8 57.0-120.0 -12.2 27.0 -0.9 -31.5 27 32 H Y E < -B 95 0A 2 -4,-2.1 2,-0.5 68,-0.3 68,-0.2 -0.910 67.9-122.9-126.8 156.7 25.1 -2.3 -28.6 28 33 H Y E -B 94 0A 14 66,-3.6 66,-2.1 -2,-0.3 2,-0.5 -0.804 32.5-145.2 -89.5 136.2 25.4 -4.8 -25.8 29 34 H I E +BC 93 46A 1 17,-1.9 17,-2.5 -2,-0.5 2,-0.3 -0.896 24.2 172.0-112.1 128.7 22.5 -7.2 -25.9 30 35 H Y E -BC 92 45A 0 62,-2.8 62,-2.1 -2,-0.5 2,-0.4 -0.951 27.4-122.8-144.5 156.1 21.0 -8.6 -22.8 31 36 H W E +BC 91 44A 1 13,-3.0 12,-2.3 -2,-0.3 13,-1.1 -0.827 25.5 179.6-106.4 135.6 18.1 -10.6 -21.5 32 37 H V E -BC 90 42A 0 58,-3.0 58,-2.4 -2,-0.4 2,-0.3 -0.929 7.0-162.1-129.0 153.6 15.6 -9.5 -18.9 33 38 H R E -BC 89 41A 8 8,-2.2 8,-2.7 -2,-0.3 2,-0.3 -0.952 5.1-163.1-134.8 160.6 12.6 -11.2 -17.4 34 39 H Q E -BC 88 40A 30 54,-1.3 54,-1.4 -2,-0.3 6,-0.1 -0.849 13.0-146.2-144.9 102.3 9.5 -10.0 -15.5 35 40 H A > - 0 0 24 4,-0.5 3,-1.6 -2,-0.3 52,-0.2 -0.315 48.4 -74.0 -66.2 152.9 7.3 -12.3 -13.5 36 41 H P T 3 S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.298 117.5 -4.4 -47.3 116.3 3.5 -11.5 -13.4 37 42 H G T 3 S+ 0 0 88 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.209 119.5 100.0 84.2 -15.0 3.0 -8.5 -11.1 38 43 H Q S < S- 0 0 127 -3,-1.6 -1,-0.2 1,-0.2 2,-0.1 0.133 71.4 -76.5 -95.8-158.1 6.7 -8.4 -10.1 39 44 H G - 0 0 21 -3,-0.1 -4,-0.5 1,-0.1 2,-0.3 -0.384 46.7 -85.4-104.5 173.9 9.9 -6.5 -11.0 40 45 H L E -C 34 0A 10 269,-0.3 2,-0.4 -6,-0.1 268,-0.3 -0.621 42.9-162.9 -82.7 136.7 12.5 -6.5 -13.8 41 46 H E E -C 33 0A 46 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.5 -0.974 13.6-134.5-129.9 125.4 15.2 -9.1 -13.4 42 47 H W E +C 32 0A 5 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.645 24.6 172.8 -83.6 122.3 18.6 -9.2 -15.2 43 48 H I E - 0 0 2 -12,-2.3 13,-2.7 -2,-0.5 2,-0.3 0.898 50.6 -73.0 -92.3 -49.7 19.6 -12.5 -16.6 44 49 H G E -CD 31 55A 0 -13,-1.1 -13,-3.0 11,-0.3 -1,-0.3 -0.946 39.6-137.0 165.2 168.9 22.7 -11.9 -18.6 45 50 H G E -CD 30 54A 0 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.897 1.9-144.3-148.8 176.1 24.2 -10.5 -21.7 46 51 H I E -CD 29 53A 10 -17,-2.5 -17,-1.9 -2,-0.3 7,-0.2 -0.994 18.9-133.3-142.9 137.3 26.6 -10.9 -24.5 47 52 H N > - 0 0 29 5,-2.6 4,-3.7 -2,-0.3 5,-0.3 -0.888 22.0-157.2 -85.6 113.6 28.8 -8.4 -26.5 48 52AH P T 4 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.620 89.7 51.5 -75.0 -8.3 28.0 -9.5 -30.0 49 53 H T T 4 S+ 0 0 90 -22,-0.1 -24,-0.1 3,-0.1 -21,-0.0 0.927 122.6 29.8 -82.9 -51.0 31.2 -8.1 -31.4 50 54 H S T 4 S- 0 0 96 2,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.806 91.6-137.4 -71.6 -37.8 33.3 -9.9 -28.8 51 55 H G < + 0 0 46 -4,-3.7 2,-0.3 1,-0.3 -1,-0.1 0.323 60.3 131.2 83.7 -10.1 31.3 -13.0 -28.1 52 56 H G - 0 0 40 -5,-0.3 -5,-2.6 -6,-0.1 -1,-0.3 -0.605 37.2-169.0 -78.7 137.3 32.0 -12.6 -24.4 53 57 H S E -D 46 0A 42 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.633 12.7-152.1-122.3 177.1 29.0 -12.9 -22.1 54 58 H N E -D 45 0A 56 -9,-2.5 -9,-2.5 -2,-0.2 2,-0.3 -0.992 12.1-159.9-153.3 141.9 28.0 -12.3 -18.5 55 59 H F E -D 44 0A 66 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.907 27.2-110.5-128.7 154.3 25.4 -13.7 -16.2 56 60 H N >> - 0 0 34 -13,-2.7 3,-2.3 -2,-0.3 4,-0.8 -0.700 37.1-126.1 -69.0 128.3 23.5 -13.2 -13.1 57 61 H E G >4 S+ 0 0 101 -2,-0.4 3,-0.7 1,-0.3 4,-0.4 0.823 108.3 65.7 -47.9 -41.9 24.9 -15.7 -10.5 58 62 H K G 34 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.777 113.4 32.5 -50.1 -30.4 21.3 -17.0 -9.9 59 63 H F G X> S+ 0 0 0 -3,-2.3 3,-1.6 -16,-0.2 4,-1.5 0.376 83.2 115.0-113.9 -0.6 21.3 -18.3 -13.6 60 64 H K T << S+ 0 0 121 -4,-0.8 3,-0.1 -3,-0.7 -2,-0.1 0.834 86.5 31.1 -35.1 -50.2 25.0 -19.1 -13.9 61 65 H T T 34 S+ 0 0 131 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.413 124.0 42.0 -96.2 4.1 24.3 -23.0 -14.3 62 66 H R T <4 S+ 0 0 53 -3,-1.6 17,-3.2 1,-0.1 2,-0.4 0.365 101.0 70.5-134.2 2.5 20.9 -23.0 -16.0 63 67 H V E < -G 78 0B 7 -4,-1.5 2,-0.4 15,-0.2 15,-0.2 -0.980 48.8-174.8-122.3 137.9 21.1 -20.3 -18.6 64 68 H T E -G 77 0B 78 13,-1.8 13,-2.5 -2,-0.4 2,-0.4 -0.977 6.8-165.2-120.3 146.5 23.1 -19.9 -21.9 65 69 H I E +G 76 0B 8 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.998 15.1 166.1-127.8 131.0 23.1 -16.8 -24.1 66 70 H T E -G 75 0B 72 9,-2.0 9,-3.3 -2,-0.4 2,-0.3 -0.833 20.7-149.1-137.8 176.7 24.3 -16.7 -27.6 67 71 H A E -G 74 0B 33 7,-0.3 2,-0.7 -2,-0.3 7,-0.3 -0.967 9.3-144.0-155.8 126.3 24.2 -14.4 -30.6 68 72 H D E >> -G 73 0B 56 5,-3.5 5,-1.1 -2,-0.3 4,-0.8 -0.855 10.5-164.1-101.7 114.6 24.2 -15.2 -34.4 69 73 H E T >45S+ 0 0 139 -2,-0.7 3,-0.7 1,-0.2 -1,-0.2 0.954 83.4 49.5 -65.7 -50.4 26.2 -12.6 -36.4 70 74 H S T 345S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.1 -49,-0.1 0.854 124.7 27.8 -66.7 -34.8 25.0 -13.4 -39.8 71 75 H S T 345S- 0 0 53 2,-0.1 -1,-0.3 -51,-0.0 -52,-0.3 0.399 100.4-134.1 -99.4 3.8 21.3 -13.4 -39.0 72 76 H T T <<5 + 0 0 27 -4,-0.8 -53,-2.2 -3,-0.7 2,-0.4 0.902 55.4 140.3 36.0 62.0 21.7 -10.9 -36.1 73 77 H T E < -FG 18 68B 12 -5,-1.1 -5,-3.5 -55,-0.2 2,-0.3 -0.945 38.2-152.7-125.4 145.0 19.5 -12.9 -33.7 74 78 H A E -FG 17 67B 1 -57,-2.0 -57,-1.9 -2,-0.4 2,-0.3 -0.900 11.9-154.7-123.6 150.2 20.4 -13.4 -30.0 75 79 H Y E -FG 16 66B 54 -9,-3.3 -9,-2.0 -2,-0.3 2,-0.4 -0.928 17.0-174.2-136.0 153.7 19.3 -16.3 -27.9 76 80 H M E -FG 15 65B 0 -61,-1.9 -61,-2.5 -2,-0.3 2,-0.4 -0.997 7.1-170.1-140.6 133.5 18.7 -17.3 -24.3 77 81 H E E -FG 14 64B 67 -13,-2.5 -13,-1.8 -2,-0.4 2,-0.5 -0.940 3.5-166.1-132.5 119.2 17.9 -20.8 -23.1 78 82 H L E -FG 13 63B 2 -65,-2.2 -65,-2.6 -2,-0.4 -15,-0.2 -0.884 11.4-160.7-102.9 126.2 16.8 -21.4 -19.5 79 82AH S + 0 0 47 -17,-3.2 -67,-0.2 -2,-0.5 -68,-0.2 -0.611 61.7 33.3-105.9 166.1 16.9 -25.0 -18.3 80 82BH S S S- 0 0 74 -70,-0.7 -69,-0.2 -2,-0.2 -1,-0.2 0.957 80.6-150.5 58.1 55.8 15.1 -26.7 -15.4 81 82CH L - 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