==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM CHANNEL BLOCKER 26-MAY-98 1BF0 . COMPND 2 MOLECULE: CALCICLUDINE; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS ANGUSTICEPS; . AUTHOR B.GILQUIN,A.LECOQ,F.DESNE,M.GUENNEUGUES,S.ZINN-JUSTIN, . 60 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 W 0 0 108 0, 0.0 56,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 145.9 12.0 -11.9 2.3 2 2 A Q - 0 0 162 0, 0.0 56,-0.1 0, 0.0 57,-0.0 -0.883 360.0 -79.9-143.9 149.7 14.2 -9.1 0.8 3 3 A P + 0 0 53 0, 0.0 54,-0.1 0, 0.0 53,-0.0 -0.434 54.2 170.8 -71.9 123.3 12.3 -6.1 -0.7 4 4 A P - 0 0 65 0, 0.0 4,-0.2 0, 0.0 53,-0.1 0.661 58.5 -47.7 -92.1-113.9 10.9 -6.8 -4.4 5 5 A W S > S+ 0 0 139 51,-0.1 3,-1.6 2,-0.1 4,-0.1 0.938 119.0 62.6 -85.6 -70.5 8.4 -4.3 -6.1 6 6 A Y G > S+ 0 0 55 1,-0.3 3,-1.6 2,-0.2 19,-0.2 0.656 96.6 56.0 -31.2 -52.3 5.5 -3.4 -3.6 7 7 A a G 3 S+ 0 0 7 1,-0.3 20,-0.7 49,-0.2 -1,-0.3 0.836 116.8 35.8 -58.8 -40.3 7.5 -1.6 -0.8 8 8 A K G < S+ 0 0 121 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.087 92.6 119.1 -98.2 15.2 9.1 0.9 -3.2 9 9 A E < - 0 0 36 -3,-1.6 16,-0.1 16,-0.2 18,-0.1 -0.774 69.6-108.7 -92.3 125.4 5.9 1.2 -5.4 10 10 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.111 23.3-116.5 -62.2 145.4 4.3 4.8 -5.5 11 11 A V - 0 0 70 32,-0.1 2,-0.4 33,-0.1 35,-0.0 -0.633 34.8-178.1 -79.7 130.9 1.0 5.8 -3.8 12 12 A R - 0 0 122 -2,-0.3 31,-0.3 1,-0.1 33,-0.1 -0.986 15.7-178.8-128.9 133.4 -1.7 6.9 -6.3 13 13 A I - 0 0 76 -2,-0.4 25,-2.7 24,-0.1 26,-0.9 0.827 25.8-152.0 -99.0 -45.0 -5.2 8.1 -5.3 14 14 A G - 0 0 15 27,-0.3 27,-0.3 24,-0.2 2,-0.2 -0.489 20.8 -92.0 93.3-169.5 -6.9 8.8 -8.7 15 15 A S + 0 0 107 25,-1.1 2,-0.3 -2,-0.2 -1,-0.1 -0.698 67.6 105.7-156.6 102.7 -9.8 11.4 -9.2 16 16 A b S S- 0 0 48 -2,-0.2 2,-1.6 2,-0.2 24,-0.0 -0.884 74.8 -94.2-168.2 146.5 -13.5 10.9 -9.0 17 17 A K S S+ 0 0 217 -2,-0.3 2,-0.3 2,-0.0 21,-0.0 -0.116 99.0 66.5 -77.7 44.4 -15.9 12.1 -6.1 18 18 A K - 0 0 140 -2,-1.6 2,-0.4 20,-0.1 -2,-0.2 -0.955 65.0-155.6-149.1 141.7 -16.0 8.9 -3.9 19 19 A Q - 0 0 92 -2,-0.3 2,-0.3 20,-0.1 19,-0.3 -0.993 1.8-159.8-126.2 134.1 -13.0 7.5 -1.9 20 20 A F E -A 37 0A 102 17,-3.5 17,-3.0 -2,-0.4 2,-0.1 -0.834 35.5 -91.5-107.3 146.0 -12.6 3.8 -0.7 21 21 A S E +A 36 0A 86 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.321 51.2 166.3 -70.4 136.7 -10.2 2.7 2.2 22 22 A S E -A 35 0A 4 13,-1.8 13,-2.7 -2,-0.1 2,-0.3 -0.976 27.4-149.8-145.6 161.4 -6.6 1.6 1.4 23 23 A F E -AB 34 47A 41 24,-1.1 24,-2.2 -2,-0.3 2,-0.3 -0.992 10.9-162.8-132.5 134.7 -3.1 1.0 3.0 24 24 A Y E -A 33 0A 49 9,-2.8 9,-2.9 -2,-0.3 2,-0.6 -0.930 26.5-118.9-114.9 144.2 0.3 1.5 1.1 25 25 A F E -A 32 0A 3 -2,-0.3 2,-0.6 7,-0.3 7,-0.3 -0.768 27.3-141.6 -89.5 119.1 3.6 -0.2 2.5 26 26 A K E >>> -A 31 0A 52 5,-2.5 4,-2.6 -2,-0.6 5,-0.8 -0.758 7.5-156.6 -89.0 116.4 6.0 2.6 3.4 27 27 A W T 345S+ 0 0 106 -20,-0.7 -1,-0.1 -2,-0.6 -19,-0.1 0.791 90.3 41.1 -65.0 -39.6 9.6 1.7 2.4 28 28 A T T 345S+ 0 0 120 -21,-0.1 -1,-0.2 1,-0.1 -20,-0.0 0.492 120.1 48.8 -89.9 -2.9 11.6 4.0 4.8 29 29 A A T <45S- 0 0 46 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.829 93.8-137.9 -96.6 -46.9 9.1 3.2 7.6 30 30 A K T <5S+ 0 0 102 -4,-2.6 2,-0.3 1,-0.4 -3,-0.1 0.586 75.9 71.6 89.3 19.4 8.8 -0.7 7.5 31 31 A K E S+ 0 0 31 -26,-0.9 2,-1.9 -19,-0.1 3,-0.5 -0.436 87.1 92.5 125.1 -51.8 -11.1 4.6 -8.3 40 40 A b T 3 S+ 0 0 79 1,-0.2 -25,-1.1 -24,-0.0 -26,-0.1 -0.365 100.9 3.4 -80.3 65.6 -10.1 6.7 -11.3 41 41 A G T 3 S+ 0 0 47 -2,-1.9 -27,-0.3 -27,-0.3 -1,-0.2 0.714 81.3 135.8 128.8 57.8 -6.3 6.1 -11.5 42 42 A G < - 0 0 29 -3,-0.5 -29,-0.1 1,-0.2 -28,-0.1 -0.153 32.1-150.5-103.2-159.9 -4.5 3.7 -9.0 43 43 A N - 0 0 44 -31,-0.3 -1,-0.2 -2,-0.1 -32,-0.1 0.107 42.8 -78.6-136.9-106.6 -1.8 1.0 -9.2 44 44 A A S S+ 0 0 40 -38,-0.1 -38,-0.1 -2,-0.0 -33,-0.1 0.104 92.7 99.3-167.8 29.3 -1.3 -2.1 -7.0 45 45 A N + 0 0 3 -35,-0.2 2,-0.6 -33,-0.1 -20,-0.2 -0.199 61.0 117.6-105.9 34.3 0.4 -1.1 -3.7 46 46 A R - 0 0 54 -22,-0.1 2,-0.4 -24,-0.1 -22,-0.2 -0.907 46.0-168.6-121.9 110.6 -3.1 -1.2 -2.0 47 47 A F B -B 23 0A 2 -24,-2.2 -24,-1.1 -2,-0.6 -2,-0.0 -0.789 17.0-145.4 -92.6 127.2 -3.8 -3.6 0.8 48 48 A Q S S+ 0 0 119 -2,-0.4 2,-0.3 -26,-0.2 -1,-0.1 0.641 85.5 11.5 -75.9 -17.4 -7.6 -3.9 1.6 49 49 A T S >> S- 0 0 74 -26,-0.1 3,-0.7 0, 0.0 4,-0.5 -0.853 89.0-103.7-142.7 171.5 -7.0 -4.4 5.4 50 50 A I T 34 S+ 0 0 105 -2,-0.3 4,-0.4 1,-0.2 -18,-0.1 0.391 114.7 68.9 -85.7 7.4 -3.7 -4.0 7.4 51 51 A G T 34 S+ 0 0 20 2,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.629 95.7 50.9 -97.7 -13.8 -3.3 -7.8 7.5 52 52 A E T X4 S+ 0 0 74 -3,-0.7 3,-1.5 2,-0.1 4,-0.4 0.730 95.3 79.5 -85.9 -29.8 -2.6 -8.1 3.7 53 53 A c T >X S+ 0 0 7 -4,-0.5 4,-0.8 1,-0.3 3,-0.7 0.808 90.9 46.5 -37.8 -58.4 0.1 -5.3 4.2 54 54 A R H 3>>S+ 0 0 117 -4,-0.4 6,-1.0 1,-0.2 4,-0.9 0.485 95.7 74.7 -72.7 -12.1 2.9 -7.5 5.6 55 55 A K H <45S+ 0 0 123 -3,-1.5 -1,-0.2 4,-0.2 -2,-0.2 0.607 105.1 34.5 -86.3 -12.0 2.5 -10.4 2.9 56 56 A K H <45S+ 0 0 51 -3,-0.7 -49,-0.2 -4,-0.4 -2,-0.2 0.675 130.1 29.1-105.0 -34.1 4.2 -8.4 0.1 57 57 A a H <5S+ 0 0 0 -4,-0.8 -2,-0.2 -51,-0.1 -3,-0.1 0.224 124.0 31.4-124.2 15.5 6.8 -6.4 2.1 58 58 A L T <5S- 0 0 54 -4,-0.9 -3,-0.2 -56,-0.1 -4,-0.1 0.559 98.1-108.1-137.4 -26.5 7.9 -8.3 5.2 59 59 A G < 0 0 55 -5,-0.8 -4,-0.2 -57,-0.0 -3,-0.1 0.879 360.0 360.0 85.4 55.1 7.8 -12.1 4.5 60 60 A K 0 0 154 -6,-1.0 -5,-0.1 0, 0.0 -1,-0.0 -0.093 360.0 360.0-149.8 360.0 4.7 -12.9 6.7