==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 05-DEC-08 3FG7 . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.WANG,L.D.BURTNICK,R.C.ROBINSON . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.9 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 . 2 0.9 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 . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 15.1 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+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 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 614 A N 0 0 195 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.0 11.0 -5.0 24.4 2 615 A L - 0 0 113 1,-0.0 2,-0.6 2,-0.0 0, 0.0 -0.529 360.0-163.2 -73.1 129.1 10.5 -1.5 22.9 3 616 A V - 0 0 141 -2,-0.3 2,-0.6 2,-0.0 -1,-0.0 -0.959 13.3-172.3-115.8 116.1 10.3 -1.4 19.1 4 617 A I - 0 0 47 -2,-0.6 -2,-0.0 37,-0.0 37,-0.0 -0.938 21.8-170.6-120.5 114.3 10.9 2.1 17.9 5 618 A T - 0 0 123 -2,-0.6 37,-0.1 37,-0.0 35,-0.0 -0.945 36.9-127.9 -92.3 116.9 10.5 3.4 14.3 6 619 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.235 15.7-140.6 -64.6 151.9 12.1 6.9 14.6 7 620 A R E -A 40 0A 116 33,-2.3 33,-2.8 18,-0.1 2,-0.5 -0.979 9.6-156.4-116.8 132.0 10.1 9.9 13.4 8 621 A L E -A 39 0A 0 15,-0.5 15,-3.2 -2,-0.4 2,-0.4 -0.932 9.0-171.2-108.9 127.6 11.7 12.8 11.5 9 622 A F E -AB 38 22A 10 29,-2.8 29,-2.5 -2,-0.5 2,-0.5 -0.961 13.3-147.2-116.5 136.3 10.2 16.2 11.4 10 623 A E E -AB 37 21A 16 11,-2.6 11,-2.6 -2,-0.4 2,-0.6 -0.861 9.6-160.4 -97.1 132.5 11.2 19.2 9.3 11 624 A C E +AB 36 20A 0 25,-2.8 25,-1.6 -2,-0.5 2,-0.4 -0.961 23.2 165.7-113.6 111.3 10.7 22.6 10.9 12 625 A S E + B 0 19A 7 7,-1.9 7,-1.4 -2,-0.6 23,-0.1 -0.990 34.6 178.0-136.4 141.2 10.8 25.3 8.3 13 626 A N > + 0 0 26 -2,-0.4 3,-1.4 5,-0.2 -1,-0.1 0.370 67.9 94.8-111.8 -1.5 9.8 29.0 8.1 14 627 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 20,-0.1 4,-0.1 0.844 77.6 63.6 -55.3 -38.2 10.9 29.5 4.4 15 628 A T T 3 S- 0 0 84 2,-0.2 -1,-0.3 1,-0.1 2,-0.1 0.715 122.1-103.5 -60.3 -23.8 7.3 28.8 3.3 16 629 A G S < S+ 0 0 66 -3,-1.4 2,-0.1 1,-0.6 -1,-0.1 -0.558 99.3 48.5 129.3 -68.1 6.1 32.0 5.1 17 630 A R S S- 0 0 109 -2,-0.1 -1,-0.6 -5,-0.0 2,-0.6 -0.305 93.3-100.0 -87.8-179.3 4.5 30.5 8.3 18 631 A F + 0 0 56 -3,-0.1 2,-0.3 -2,-0.1 -5,-0.2 -0.926 44.4 163.5-114.9 119.0 6.1 27.9 10.6 19 632 A L E -B 12 0A 52 -7,-1.4 -7,-1.9 -2,-0.6 2,-0.6 -0.954 31.4-144.9-126.6 146.6 5.2 24.2 10.4 20 633 A A E -B 11 0A 37 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.965 26.6-168.9-100.9 119.5 6.7 21.0 11.6 21 634 A T E -B 10 0A 6 -11,-2.6 -11,-2.6 -2,-0.6 2,-0.2 -0.951 20.5-128.9-112.9 125.7 6.0 18.3 9.0 22 635 A E E -B 9 0A 59 -2,-0.5 -13,-0.3 -13,-0.2 151,-0.1 -0.516 24.0-137.2 -67.0 135.9 6.6 14.6 9.7 23 636 A I > - 0 0 3 -15,-3.2 3,-0.7 -2,-0.2 -15,-0.5 -0.872 14.6-135.7-104.5 107.6 8.7 13.1 6.8 24 637 A P T 3 S- 0 0 13 0, 0.0 145,-0.1 0, 0.0 166,-0.0 -0.322 81.2 -4.0 -64.1 149.2 7.5 9.7 5.7 25 638 A D T 3 S- 0 0 57 1,-0.1 -18,-0.1 166,-0.0 0, 0.0 0.853 95.5-158.1 24.6 66.7 10.2 7.0 5.1 26 639 A F < + 0 0 36 -3,-0.7 73,-0.3 2,-0.0 2,-0.3 -0.175 20.0 175.7 -71.1 156.6 12.9 9.5 5.8 27 640 A N > - 0 0 48 71,-0.1 3,-1.8 72,-0.1 4,-0.4 -0.896 48.8 -86.7-147.9 179.6 16.5 9.3 4.7 28 641 A Q G > S+ 0 0 9 72,-0.5 3,-1.4 -2,-0.3 73,-0.1 0.822 120.3 64.4 -63.8 -30.8 19.6 11.4 4.9 29 642 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 133,-0.1 0.609 90.6 67.1 -72.0 -10.4 18.7 13.3 1.7 30 643 A D G < S+ 0 0 0 -3,-1.8 -1,-0.3 -7,-0.0 2,-0.2 0.720 84.0 89.3 -75.0 -25.3 15.6 14.7 3.5 31 644 A L < - 0 0 4 -3,-1.4 2,-0.3 -4,-0.4 5,-0.0 -0.507 61.7-175.4 -71.4 141.8 18.0 16.7 5.7 32 645 A E > - 0 0 47 -2,-0.2 3,-1.5 3,-0.1 18,-0.2 -0.997 34.7-122.4-149.2 146.4 18.9 20.1 4.4 33 646 A E T 3 S+ 0 0 55 -2,-0.3 19,-2.6 1,-0.3 20,-0.3 0.647 104.4 60.2 -60.9 -24.9 21.2 23.0 5.5 34 647 A D T 3 S+ 0 0 87 17,-0.2 20,-0.5 18,-0.1 -1,-0.3 0.597 102.6 49.0 -80.4 -13.6 18.5 25.6 5.7 35 648 A D S < S- 0 0 0 -3,-1.5 15,-1.7 18,-0.2 2,-0.4 -0.653 72.3-116.7-127.8 172.3 16.2 24.0 8.3 36 649 A V E -AC 11 49A 0 -25,-1.6 -25,-2.8 -2,-0.2 2,-0.4 -0.910 30.3-161.1-109.9 144.7 16.1 22.4 11.8 37 650 A F E -AC 10 48A 0 11,-2.3 11,-3.3 -2,-0.4 2,-0.5 -0.951 10.1-147.1-125.9 144.4 14.9 18.8 12.1 38 651 A L E -AC 9 47A 1 -29,-2.5 -29,-2.8 -2,-0.4 2,-0.6 -0.966 7.6-166.1-108.8 125.0 13.6 16.8 15.0 39 652 A L E -AC 8 46A 0 7,-2.3 7,-2.9 -2,-0.5 2,-0.6 -0.937 9.9-159.6-112.9 105.1 14.5 13.1 15.1 40 653 A D E +AC 7 45A 10 -33,-2.8 -33,-2.3 -2,-0.6 5,-0.2 -0.796 21.1 168.5 -92.6 116.9 12.2 11.5 17.8 41 654 A V - 0 0 0 3,-2.4 2,-2.0 -2,-0.6 4,-0.1 -0.049 51.6-116.0-119.6 20.5 13.7 8.2 18.9 42 655 A W S S+ 0 0 94 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.464 109.3 53.2 72.0 -65.1 11.2 7.9 21.9 43 656 A D S S+ 0 0 88 -2,-2.0 2,-0.3 1,-0.1 -1,-0.2 0.603 126.7 4.0 -77.9 -9.0 13.8 8.1 24.8 44 657 A Q - 0 0 43 36,-0.2 -3,-2.4 -5,-0.0 2,-0.5 -0.967 65.6-131.4-161.3 165.4 15.2 11.3 23.4 45 658 A V E -Cd 40 82A 2 36,-2.4 38,-3.1 -2,-0.3 2,-0.4 -0.992 19.6-143.1-121.9 122.5 14.7 13.8 20.6 46 659 A F E -Cd 39 83A 0 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.7 -0.711 6.1-153.4 -82.9 135.4 17.6 14.9 18.5 47 660 A F E -Cd 38 84A 13 36,-3.4 38,-3.0 -2,-0.4 2,-0.5 -0.913 15.9-163.7-111.8 99.2 17.5 18.6 17.5 48 661 A W E -Cd 37 85A 0 -11,-3.3 -11,-2.3 -2,-0.7 2,-0.6 -0.764 1.0-158.4 -97.1 126.2 19.5 18.7 14.3 49 662 A I E -Cd 36 86A 26 36,-2.8 38,-2.5 -2,-0.5 -13,-0.2 -0.908 9.7-139.1-112.8 117.0 20.6 22.2 13.2 50 663 A G > - 0 0 3 -15,-1.7 3,-1.9 -2,-0.6 -17,-0.1 -0.376 26.5-110.4 -71.3 150.8 21.4 22.8 9.5 51 664 A K T 3 S+ 0 0 118 1,-0.3 -17,-0.2 -2,-0.1 -1,-0.1 0.719 116.7 35.2 -46.3 -36.3 24.5 25.0 8.7 52 665 A H T 3 S+ 0 0 114 -19,-2.6 -1,-0.3 -17,-0.1 2,-0.2 0.036 80.6 133.7-117.6 19.8 22.3 27.8 7.4 53 666 A A < - 0 0 19 -3,-1.9 -18,-0.2 -20,-0.3 2,-0.1 -0.560 52.6-130.2 -66.0 136.0 19.3 27.6 9.7 54 667 A N > - 0 0 67 -20,-0.5 4,-1.9 -2,-0.2 3,-0.3 -0.455 18.2-111.0 -84.6 162.8 18.4 31.1 10.9 55 668 A E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 116.6 58.7 -60.9 -34.8 17.9 32.0 14.6 56 669 A E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 108.7 43.6 -63.1 -39.7 14.1 32.6 13.9 57 670 A E H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.849 111.4 53.6 -75.2 -37.9 13.7 29.0 12.6 58 671 A K H X S+ 0 0 72 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.919 111.4 45.3 -61.7 -46.8 15.7 27.4 15.4 59 672 A K H X S+ 0 0 146 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.934 112.0 51.7 -64.2 -45.3 13.6 29.2 18.0 60 673 A A H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 111.2 48.6 -55.3 -44.8 10.4 28.2 16.3 61 674 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.803 106.7 56.2 -65.3 -33.5 11.6 24.6 16.2 62 675 A A H X S+ 0 0 28 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.894 109.3 46.3 -65.9 -41.7 12.5 24.7 19.9 63 676 A T H X S+ 0 0 82 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.942 112.0 50.0 -66.0 -46.2 8.9 25.7 20.7 64 677 A T H X S+ 0 0 19 -4,-2.5 4,-4.2 1,-0.2 -2,-0.2 0.925 110.9 50.8 -60.0 -39.7 7.5 23.0 18.4 65 678 A A H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.892 114.3 42.4 -63.0 -42.8 9.7 20.5 20.1 66 679 A Q H < S+ 0 0 109 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.883 121.0 42.1 -71.9 -40.1 8.6 21.5 23.6 67 680 A E H >X S+ 0 0 130 -4,-3.4 4,-1.7 2,-0.2 3,-1.4 0.911 112.5 54.7 -63.3 -51.5 4.9 21.8 22.4 68 681 A Y H 3X S+ 0 0 13 -4,-4.2 4,-1.7 -5,-0.3 -2,-0.2 0.905 99.7 60.4 -48.2 -52.3 5.2 18.5 20.4 69 682 A L H 3< S+ 0 0 29 -4,-2.0 -1,-0.3 -5,-0.2 7,-0.2 0.615 109.0 45.9 -53.7 -20.2 6.5 16.6 23.5 70 683 A K H <4 S+ 0 0 153 -3,-1.4 -2,-0.2 -4,-0.3 6,-0.2 0.914 118.6 35.1 -83.3 -68.8 3.1 17.5 25.2 71 684 A T H < S+ 0 0 87 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.931 105.4 69.2 -54.1 -62.4 0.6 16.7 22.5 72 685 A H S < S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.0 -0.918 112.5 4.2-119.6 121.7 2.1 13.6 20.7 73 686 A P S S- 0 0 53 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.671 80.4-149.6 -89.8 150.3 2.1 11.0 22.2 74 687 A S S S+ 0 0 106 -3,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.450 81.6 48.3 -69.9 149.4 0.3 11.6 25.6 75 688 A G S S+ 0 0 84 1,-0.3 2,-0.5 -5,-0.1 -1,-0.2 0.765 83.2 146.8 86.0 32.5 1.6 9.5 28.5 76 689 A R - 0 0 20 -3,-0.3 -1,-0.3 -6,-0.2 4,-0.1 -0.904 60.3 -96.6-114.8 123.0 5.2 10.4 27.7 77 690 A D > - 0 0 93 -2,-0.5 3,-0.9 1,-0.2 -1,-0.1 -0.009 28.5-148.1 -26.9 111.5 8.0 10.8 30.1 78 691 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -9,-0.0 0.706 93.4 65.1 -66.9 -22.1 8.3 14.6 30.8 79 692 A E T 3 + 0 0 158 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.145 66.9 140.8 -92.1 36.2 12.1 14.3 31.3 80 693 A T < - 0 0 12 -3,-0.9 -36,-0.2 -4,-0.1 -37,-0.1 -0.725 51.0-130.6 -76.2 111.8 12.7 13.2 27.7 81 694 A P - 0 0 63 0, 0.0 -36,-2.4 0, 0.0 2,-0.5 -0.331 6.8-140.8 -69.1 147.2 15.9 15.0 26.7 82 695 A I E -d 45 0A 61 -38,-0.2 2,-0.6 -2,-0.0 -36,-0.2 -0.949 20.2-156.6-104.2 122.8 16.4 17.1 23.6 83 696 A I E -d 46 0A 55 -38,-3.1 -36,-3.4 -2,-0.5 2,-0.3 -0.920 9.8-134.8-111.1 117.1 19.9 16.5 22.2 84 697 A V E -d 47 0A 93 -2,-0.6 2,-0.4 -38,-0.2 -36,-0.2 -0.485 24.5-179.0 -71.7 129.8 21.5 19.2 20.0 85 698 A V E -d 48 0A 3 -38,-3.0 -36,-2.8 -2,-0.3 2,-0.4 -0.999 13.5-150.3-130.2 128.2 23.1 17.9 16.9 86 699 A K E > -d 49 0A 126 -2,-0.4 3,-2.5 3,-0.3 -36,-0.2 -0.863 33.8 -94.5-101.5 141.8 24.9 20.2 14.4 87 700 A Q T 3 S+ 0 0 9 -38,-2.5 -1,-0.1 -2,-0.4 -37,-0.0 -0.202 111.0 15.5 -51.2 130.7 25.1 19.3 10.8 88 701 A G T 3 S+ 0 0 50 1,-0.0 -1,-0.3 -3,-0.0 -38,-0.0 0.367 116.5 73.6 86.4 -2.5 28.3 17.5 9.9 89 702 A H < + 0 0 157 -3,-2.5 -3,-0.3 2,-0.1 -2,-0.1 -0.082 65.0 151.6-125.3 29.8 29.0 16.7 13.5 90 703 A E - 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