==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BD7 . COMPND 2 MOLECULE: BETA-CASOMORPHIN-7; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 242 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.0 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 . 83 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 . 6 2 2 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 7 P I 0 0 16 0, 0.0 189,-3.3 0, 0.0 188,-1.3 0.000 360.0 360.0 360.0 360.0 -9.7 23.3 36.8 2 !* 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 3 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.6 -11.3 33.3 35.7 4 17 A V B 3 +A 184 0A 11 180,-2.5 180,-1.8 1,-0.2 134,-0.2 -0.745 360.0 13.2 -89.9 140.1 -14.8 34.0 34.4 5 18 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.3 2,-0.1 0.799 97.1 144.9 67.0 28.0 -16.0 37.6 35.1 6 19 A G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.304 44.0-136.8 -89.9 175.9 -12.6 38.9 36.1 7 20 A T E -B 149 0B 85 142,-2.4 142,-2.5 -2,-0.1 2,-0.4 -0.897 39.6 -89.7-122.2 156.8 -10.8 42.2 35.7 8 21 A E E -B 148 0B 113 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.568 45.0-129.2 -70.1 128.5 -7.2 42.5 34.7 9 22 A A - 0 0 2 138,-2.5 2,-0.2 -2,-0.4 138,-0.1 -0.433 23.2-106.4 -70.9 148.7 -4.9 42.5 37.7 10 23 A Q > - 0 0 71 -2,-0.1 3,-1.6 1,-0.1 4,-0.5 -0.509 36.4-110.4 -66.1 148.3 -2.4 45.2 38.2 11 24 A R T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.671 114.2 36.8 -54.0 -28.8 1.2 43.9 37.5 12 25 A N T 3 S+ 0 0 89 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.262 90.6 92.1-115.3 12.7 2.3 44.1 41.1 13 26 A S S < S+ 0 0 55 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.878 98.2 23.7 -73.9 -39.2 -0.9 43.2 43.0 14 27 A W > + 0 0 25 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.590 66.4 164.7-131.8 64.2 -0.3 39.4 43.3 15 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.581 71.8 63.0 -68.3 -10.4 3.4 38.8 43.1 16 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.5 97,-0.1 2,-0.2 0.589 78.3 107.0 -86.4 -9.2 3.2 35.2 44.6 17 30 A Q E < -I 35 0C 5 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.505 50.6-175.1 -70.9 133.5 1.1 34.0 41.6 18 31 A I E -I 34 0C 1 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.859 24.6-125.6-122.4 159.9 3.1 31.8 39.2 19 32 A S E -IJ 33 58C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.947 17.9-154.2-104.6 122.2 2.3 30.1 35.9 20 33 A L E +IJ 32 57C 0 12,-3.1 11,-3.0 -2,-0.5 12,-1.8 -0.892 24.7 177.7 -96.0 122.7 2.8 26.4 35.8 21 34 A Q E -IJ 30 56C 10 35,-2.7 35,-2.4 -2,-0.6 2,-0.3 -0.856 19.2-146.2-127.9 157.3 3.6 25.4 32.2 22 35 A Y E -IJ 29 55C 67 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.896 32.0 -97.0-124.7 156.9 4.4 22.2 30.3 23 36 A R E -I 28 0C 51 31,-1.9 2,-0.4 -2,-0.3 5,-0.3 -0.526 38.5-179.7 -75.4 129.5 6.6 21.5 27.3 24 36AA S E > -I 27 0C 53 3,-3.4 3,-2.2 -2,-0.3 2,-0.3 -0.892 59.7 -61.8-134.8 93.8 4.4 21.3 24.1 25 36BA G T 3 S- 0 0 79 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.467 119.5 -14.6 64.5-119.7 6.6 20.6 21.1 26 36CA S T 3 S+ 0 0 133 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.400 134.7 52.7 -92.1 -0.1 9.1 23.5 20.7 27 37 A S E < S-I 24 0C 65 -3,-2.2 -3,-3.4 -5,-0.0 2,-0.4 -0.568 78.4-110.0-128.2-170.0 7.1 25.7 23.1 28 38 A W E -I 23 0C 94 -5,-0.3 2,-0.5 -2,-0.2 -5,-0.2 -0.973 21.8-157.3-128.8 138.4 5.5 25.9 26.6 29 39 A A E -I 22 0C 28 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.963 20.9-120.5-122.1 132.5 1.9 26.0 27.4 30 40 A H E +I 21 0C 20 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.441 39.2 160.0 -62.5 133.7 0.2 27.3 30.5 31 41 A T E - 0 0 30 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.687 56.7 -3.1-122.2 -33.4 -1.7 24.6 32.4 32 42 A a E -I 20 0C 0 -12,-1.8 -12,-3.1 212,-0.2 -1,-0.4 -0.950 60.9-113.9-152.0 164.5 -2.2 25.7 36.0 33 43 A G E -I 19 0C 0 157,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.400 28.8-178.2 -92.6-177.4 -1.5 28.4 38.6 34 44 A G E -I 18 0C 0 -16,-0.9 -16,-2.2 -2,-0.1 2,-0.4 -0.947 25.0-119.6-168.9 167.6 0.6 28.1 41.7 35 45 A T E -IK 17 43C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.5 -0.996 23.0-132.0-121.6 126.2 1.8 30.2 44.7 36 46 A L E + K 0 42C 0 -20,-2.5 78,-3.1 -2,-0.4 6,-0.2 -0.658 33.7 167.4 -75.8 121.5 5.5 30.8 45.3 37 47 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.605 66.0 15.4-114.7 -21.1 5.9 30.0 49.0 38 48 A R E > S- K 0 41C 92 3,-1.7 3,-1.3 74,-0.1 -1,-0.3 -0.916 89.4 -99.8-137.4 166.9 9.8 29.9 49.2 39 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.817 127.5 27.1 -61.4 -23.1 12.4 31.2 46.8 40 50 A N T 3 S+ 0 0 51 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.098 112.7 75.3-121.7 21.0 12.7 27.5 45.6 41 51 A W E < -KL 38 100C 6 -3,-1.3 -4,-2.6 59,-0.2 -3,-1.7 -0.989 52.1-167.9-137.3 134.8 9.2 26.1 46.4 42 52 A V E -KL 36 99C 0 57,-2.4 57,-3.1 -2,-0.4 2,-0.5 -0.961 13.7-144.2-117.5 136.7 5.8 26.5 44.7 43 53 A M E +KL 35 98C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.2 -0.867 37.2 146.3 -95.3 128.6 2.4 25.3 46.1 44 54 A T E - L 0 97C 0 53,-2.9 53,-2.2 -2,-0.5 2,-0.4 -0.722 50.1 -70.1-145.9-170.4 -0.0 24.0 43.5 45 55 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.6 -0.764 31.8-134.7 -91.8 139.1 -2.8 21.5 43.0 46 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.2 4,-0.1 0.880 105.4 60.3 -51.9 -43.3 -2.0 17.8 42.9 47 57 A H G >4 S+ 0 0 32 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.764 93.5 65.1 -64.6 -20.5 -4.2 17.3 39.9 48 58 A a G <4 S+ 0 0 9 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.784 107.9 40.2 -68.7 -24.8 -2.1 19.8 37.9 49 59 A V G << S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.146 81.1 101.3-116.7 21.2 0.9 17.4 38.1 50 60 A D < + 0 0 56 -3,-0.9 -1,-0.1 -4,-0.1 -2,-0.1 0.876 67.4 85.5 -64.2 -39.5 -0.8 14.0 37.5 51 61 A R S S- 0 0 53 -4,-0.4 2,-2.2 -3,-0.2 0, 0.0 -0.406 89.1-122.4 -70.6 144.6 0.3 14.0 33.9 52 62 A E + 0 0 193 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.327 65.9 136.8 -82.4 59.6 3.8 12.8 33.2 53 63 A L - 0 0 75 -2,-2.2 2,-0.6 -4,-0.1 -31,-0.0 -0.515 63.4-105.2-103.4 163.9 4.8 16.0 31.5 54 64 A T - 0 0 91 -31,-0.2 -31,-1.9 -2,-0.2 2,-0.3 -0.844 46.3-165.1 -83.3 124.6 7.9 18.3 31.6 55 65 A F E -J 22 0C 14 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.821 16.3-178.3-116.1 150.6 7.0 21.3 33.8 56 65AA R E -JM 21 75C 47 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.953 19.9-133.5-135.3 159.6 8.5 24.7 34.3 57 66 A V E -JM 20 74C 0 17,-3.1 17,-2.5 -2,-0.3 2,-0.5 -0.940 10.5-158.8-111.4 140.0 7.5 27.6 36.6 58 67 A V E -JM 19 73C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.978 10.8-175.3-118.2 119.7 7.2 31.3 35.5 59 68 A V E + M 0 72C 2 13,-2.3 13,-2.3 -2,-0.5 52,-0.1 -0.779 69.6 33.5-104.3 157.3 7.4 33.9 38.2 60 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.793 86.7 150.5 70.0 24.3 7.0 37.6 37.5 61 70 A E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.719 16.2 150.8 -92.2 142.5 4.5 36.7 34.7 62 71 A H + 0 0 8 1,-0.4 85,-1.8 -2,-0.3 2,-0.6 0.552 69.9 33.9-130.4 -49.0 1.6 39.0 33.6 63 72 A N B > -O 146 0D 9 3,-0.3 3,-0.9 83,-0.2 -1,-0.4 -0.950 60.4-160.6-115.9 118.5 0.9 38.4 29.9 64 73 A L T 3 S+ 0 0 41 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.670 92.0 48.3 -68.0 -18.2 1.3 34.8 28.7 65 74 A N T 3 S+ 0 0 105 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.295 111.0 46.5-110.5 7.1 1.5 36.0 25.1 66 75 A Q S < S- 0 0 113 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.990 86.0 -99.0-150.3 155.6 4.0 38.9 25.4 67 76 A N - 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.627 31.7-177.3 -75.1 121.4 7.4 39.8 26.9 68 77 A N - 0 0 25 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.624 36.1-127.6 -93.8 -16.5 6.7 41.7 30.1 69 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.624 95.2 74.7 79.9 14.8 10.3 42.3 31.0 70 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.422 63.3 119.1-134.6 -8.7 9.9 40.8 34.4 71 80 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.361 38.4-166.9 -71.9 146.3 9.6 37.1 34.0 72 81 A Q E -M 59 0C 47 -13,-2.3 -13,-2.3 -2,-0.1 2,-0.4 -0.997 11.5-155.0-123.6 133.4 12.0 34.5 35.5 73 82 A Y E +M 58 0C 116 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 17.8 173.1-112.5 131.9 11.7 30.9 34.1 74 83 A V E -M 57 0C 6 -17,-2.5 -17,-3.1 -2,-0.4 -2,-0.0 -0.997 27.2-122.4-142.9 136.7 12.8 28.0 36.3 75 84 A G E -M 56 0C 31 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.317 28.1-112.8 -75.2 158.9 12.5 24.2 35.8 76 85 A V E -N 101 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.872 31.9-179.8 -92.4 119.8 10.8 21.9 38.3 77 86 A Q E + 0 0 110 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.759 65.4 11.0 -92.7 -32.3 13.3 19.7 40.0 78 87 A K E -N 100 0C 85 22,-1.5 22,-2.5 2,-0.0 2,-0.5 -0.986 59.6-154.3-151.2 140.2 11.1 17.6 42.4 79 88 A I E -N 99 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.981 7.6-171.7-120.5 125.6 7.4 17.2 42.7 80 89 A V E -N 98 0C 28 18,-2.9 18,-2.8 -2,-0.5 2,-0.3 -0.941 8.1-169.0-117.5 104.0 5.9 16.1 46.1 81 90 A V E -N 97 0C 44 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.691 38.6 -94.4 -89.4 145.7 2.2 15.3 45.9 82 91 A H > - 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