==== 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 HYDROLASE 20-OCT-05 2BD5 . 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) . 10375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 64.5 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 . 19 7.9 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 . 10 4.1 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 15 0, 0.0 189,-3.3 0, 0.0 188,-1.4 0.000 360.0 360.0 360.0 360.0 -9.9 23.3 36.7 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,-0.4 0.000 360.0 360.0 360.0 123.6 -11.2 33.4 35.7 4 17 A V B 3 +A 184 0A 10 180,-2.5 180,-1.7 1,-0.2 134,-0.2 -0.760 360.0 11.0 -94.8 141.6 -14.7 34.2 34.5 5 18 A G T 3 S+ 0 0 41 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.766 98.8 138.3 62.3 29.9 -16.1 37.7 35.2 6 19 A G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.249 48.0-133.7 -89.5 179.8 -12.6 38.9 36.3 7 20 A T E -B 149 0B 86 142,-2.5 142,-2.5 -2,-0.1 2,-0.2 -0.927 40.2 -86.4-130.1 154.6 -10.7 42.1 35.6 8 21 A E E -B 148 0B 115 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.471 47.4-124.1 -66.1 132.7 -7.1 42.3 34.5 9 22 A A - 0 0 1 138,-3.0 2,-0.2 -2,-0.2 138,-0.1 -0.388 26.2-105.6 -69.2 150.1 -4.8 42.3 37.6 10 23 A Q > - 0 0 70 1,-0.1 3,-2.2 -2,-0.1 4,-0.4 -0.572 37.2-110.2 -72.4 147.6 -2.3 45.2 38.0 11 24 A R T 3 S+ 0 0 105 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.760 114.5 36.9 -50.7 -36.6 1.2 43.9 37.1 12 25 A N T 3 S+ 0 0 97 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.230 91.0 98.1-102.0 15.5 2.5 44.1 40.7 13 26 A S S < S+ 0 0 52 -3,-2.2 -1,-0.1 1,-0.2 -2,-0.1 0.884 90.2 22.8 -72.3 -41.7 -0.6 43.0 42.5 14 27 A W > + 0 0 29 -4,-0.4 3,-1.9 -3,-0.2 -1,-0.2 -0.672 63.8 168.9-132.9 67.9 -0.1 39.3 43.2 15 28 A P T 3 S+ 0 0 35 0, 0.0 97,-1.8 0, 0.0 45,-0.3 0.531 73.6 61.2 -72.3 -7.8 3.6 38.6 43.2 16 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.5 97,-0.1 2,-0.2 0.531 79.6 109.1 -87.2 -8.9 3.3 35.1 44.6 17 30 A Q E < -I 35 0C 5 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.471 50.3-172.4 -70.5 131.6 1.2 33.9 41.6 18 31 A I E -I 34 0C 0 16,-2.4 16,-0.9 -2,-0.2 2,-0.5 -0.866 23.1-131.7-120.3 158.4 3.0 31.5 39.3 19 32 A S E -IJ 33 58C 0 39,-2.0 39,-2.6 -2,-0.3 2,-0.5 -0.960 18.4-154.3-103.5 122.1 2.3 30.0 35.9 20 33 A L E -IJ 32 57C 0 12,-3.0 11,-2.9 -2,-0.5 12,-1.8 -0.889 22.9-177.2 -98.3 125.2 2.9 26.2 35.8 21 34 A Q E -IJ 30 56C 8 35,-2.7 35,-2.7 -2,-0.5 2,-0.3 -0.906 18.3-147.2-128.4 149.8 3.6 25.2 32.2 22 35 A Y E -IJ 29 55C 70 7,-2.4 7,-2.8 -2,-0.3 2,-0.3 -0.886 31.0-101.8-119.7 154.1 4.3 22.0 30.4 23 36 A R E -I 28 0C 52 31,-1.7 2,-0.4 -2,-0.3 31,-0.3 -0.584 37.5-179.6 -79.5 131.3 6.5 21.4 27.4 24 36AA S E > -I 27 0C 55 3,-3.7 3,-2.3 -2,-0.3 2,-0.3 -0.943 59.0 -57.8-139.9 100.9 4.4 21.1 24.2 25 36BA G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.416 120.8 -15.7 62.6-115.9 6.5 20.5 21.1 26 36CA S T 3 S+ 0 0 128 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.390 134.2 47.5 -96.7 1.0 9.1 23.3 20.8 27 37 A S E < S-I 24 0C 68 -3,-2.3 -3,-3.7 -5,-0.0 2,-0.4 -0.621 79.9-103.4-136.1-167.2 7.2 25.5 23.2 28 38 A W E -I 23 0C 94 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.934 21.6-156.6-129.9 140.5 5.5 25.7 26.6 29 39 A A E -I 22 0C 28 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.3 -0.978 22.1-121.4-123.3 129.2 1.8 25.8 27.4 30 40 A H E +I 21 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.523 39.3 161.5 -62.9 130.0 0.3 27.2 30.6 31 41 A T E - 0 0 30 -11,-2.9 2,-0.3 1,-0.4 157,-0.3 0.688 55.3 -2.3-117.2 -31.6 -1.7 24.6 32.4 32 42 A a E -I 20 0C 0 -12,-1.8 -12,-3.0 212,-0.2 -1,-0.4 -0.965 60.0-116.2-152.4 166.6 -2.2 25.7 36.0 33 43 A G E +I 19 0C 0 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.384 30.2 174.4 -98.3-179.6 -1.5 28.3 38.6 34 44 A G E -I 18 0C 0 -16,-0.9 -16,-2.4 10,-0.1 2,-0.4 -0.942 27.6-115.2-170.2 176.7 0.5 28.0 41.8 35 45 A T E -IK 17 43C 0 8,-2.2 8,-3.1 -2,-0.3 2,-0.5 -0.997 23.1-128.2-130.4 128.1 1.8 30.1 44.7 36 46 A L E + K 0 42C 0 -20,-2.5 78,-3.4 -2,-0.4 6,-0.2 -0.662 34.5 167.5 -73.0 120.5 5.5 30.6 45.4 37 47 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.655 66.4 14.0-113.2 -21.6 5.9 29.7 49.0 38 48 A R E > S- K 0 41C 87 3,-1.9 3,-1.2 74,-0.1 -1,-0.3 -0.890 89.8 -98.5-135.2 171.9 9.8 29.5 49.3 39 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.778 128.3 26.5 -62.3 -24.2 12.4 30.7 46.8 40 50 A N T 3 S+ 0 0 49 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.110 112.5 76.1-124.9 22.8 12.5 27.2 45.6 41 51 A W E < -KL 38 100C 4 -3,-1.2 -4,-2.5 59,-0.2 -3,-1.9 -0.997 50.6-171.0-133.8 137.8 9.1 25.8 46.4 42 52 A V E -KL 36 99C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.961 14.5-144.7-123.7 140.9 5.7 26.2 44.8 43 53 A M E +KL 35 98C 0 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.2 -0.896 35.6 146.5-103.8 132.9 2.4 25.1 46.1 44 54 A T E - L 0 97C 0 53,-2.9 53,-2.3 -2,-0.5 2,-0.4 -0.740 50.1 -69.2-147.3-173.9 -0.1 23.9 43.5 45 55 A A > - 0 0 0 -12,-0.4 3,-1.4 51,-0.3 4,-0.5 -0.744 32.9-131.8 -89.3 142.8 -2.9 21.4 43.1 46 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.882 106.3 59.3 -51.0 -44.6 -2.2 17.7 42.9 47 57 A H G > S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.687 93.7 67.4 -69.0 -14.7 -4.4 17.2 39.9 48 58 A a G < S+ 0 0 10 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.750 107.8 38.2 -69.9 -23.8 -2.2 19.7 38.0 49 59 A V G < S+ 0 0 13 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.129 80.1 106.1-120.8 21.2 0.6 17.3 38.1 50 60 A D < + 0 0 57 -3,-0.8 -1,-0.1 -4,-0.1 2,-0.1 0.931 67.3 81.8 -62.4 -42.2 -1.2 13.9 37.5 51 61 A R S S- 0 0 51 -4,-0.3 2,-2.6 -3,-0.1 0, 0.0 -0.420 89.5-123.6 -70.7 141.9 0.2 13.8 33.9 52 62 A E + 0 0 198 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.367 65.0 139.7 -81.7 58.5 3.8 12.6 33.5 53 63 A L - 0 0 79 -2,-2.6 2,-0.6 -4,-0.1 -31,-0.0 -0.520 62.1-103.7-101.3 170.1 4.8 15.9 31.7 54 64 A T - 0 0 95 -31,-0.3 -31,-1.7 -2,-0.2 2,-0.3 -0.858 47.3-167.0 -89.1 122.5 7.8 18.1 31.8 55 65 A F E -J 22 0C 12 -2,-0.6 21,-1.5 -33,-0.2 2,-0.3 -0.816 16.3-175.7-112.9 152.2 6.9 21.2 33.8 56 65AA R E -JM 21 75C 47 -35,-2.7 -35,-2.7 -2,-0.3 2,-0.4 -0.954 19.4-133.7-133.9 159.4 8.4 24.6 34.4 57 66 A V E -JM 20 74C 0 17,-2.9 17,-2.5 -2,-0.3 2,-0.5 -0.911 11.3-157.9-109.7 137.8 7.4 27.4 36.7 58 67 A V E -JM 19 73C 0 -39,-2.6 -39,-2.0 -2,-0.4 3,-0.4 -0.974 11.6-174.7-114.8 119.8 7.2 31.0 35.6 59 68 A V E + M 0 72C 1 13,-2.3 13,-2.0 -2,-0.5 -41,-0.1 -0.787 68.6 29.4-107.7 159.4 7.4 33.7 38.3 60 69 A G S S+ 0 0 5 50,-0.5 2,-0.3 -43,-0.5 10,-0.2 0.763 87.3 151.2 69.8 23.0 7.0 37.4 37.7 61 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.4 3,-0.1 -0.644 15.3 151.5 -89.8 147.9 4.7 36.5 34.8 62 71 A H + 0 0 8 1,-0.4 85,-1.7 -2,-0.3 2,-0.6 0.542 69.5 34.9-136.6 -52.0 1.8 38.9 33.7 63 72 A N B > -O 146 0D 10 3,-0.3 3,-0.9 83,-0.2 -1,-0.4 -0.948 65.2-158.0-108.5 119.3 1.1 38.4 30.0 64 73 A L T 3 S+ 0 0 35 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.771 90.4 48.6 -64.3 -23.2 1.5 34.8 28.9 65 74 A N T 3 S+ 0 0 106 80,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.481 109.0 43.8-104.1 -4.7 2.0 35.9 25.3 66 75 A Q S < S- 0 0 118 -3,-0.9 2,-0.3 79,-0.2 -3,-0.3 -0.967 86.9 -94.2-145.3 153.0 4.5 38.7 25.4 67 76 A N - 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.551 32.6-177.8 -69.3 125.1 7.8 39.6 27.1 68 77 A N - 0 0 26 -2,-0.3 -1,-0.2 -5,-0.1 -4,-0.0 0.510 39.0-124.8-100.6 -10.9 7.1 41.5 30.3 69 78 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.548 97.2 73.9 76.7 9.0 10.7 42.1 31.2 70 79 A T + 0 0 25 -10,-0.2 2,-0.1 40,-0.0 -9,-0.1 0.426 62.9 116.6-133.5 -2.0 10.1 40.5 34.6 71 80 A E - 0 0 26 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.424 39.2-166.3 -78.2 143.1 9.7 36.7 34.2 72 81 A Q E -M 59 0C 45 -13,-2.0 -13,-2.3 -2,-0.1 2,-0.5 -0.998 11.1-153.3-118.7 137.4 12.1 34.1 35.6 73 82 A Y E +M 58 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.905 18.2 174.2-114.2 128.7 11.8 30.6 34.2 74 83 A V E -M 57 0C 7 -17,-2.5 -17,-2.9 -2,-0.5 -2,-0.0 -0.996 27.0-121.3-141.5 135.5 12.7 27.6 36.3 75 84 A G E -M 56 0C 33 -2,-0.4 27,-2.5 -19,-0.2 2,-0.5 -0.290 27.4-116.8 -65.9 155.7 12.5 23.8 36.0 76 85 A V E +N 101 0C 35 -21,-1.5 25,-0.2 25,-0.2 -21,-0.2 -0.852 30.6 179.4 -93.2 124.5 10.6 21.6 38.4 77 86 A Q E + 0 0 105 23,-3.1 2,-0.4 -2,-0.5 24,-0.2 0.773 64.5 12.6 -97.6 -36.9 13.1 19.2 40.1 78 87 A K E -N 100 0C 88 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.994 58.7-154.9-146.2 140.0 10.8 17.2 42.4 79 88 A I E -N 99 0C 67 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.979 8.1-171.8-116.0 125.7 7.0 16.9 42.8 80 89 A V E -N 98 0C 32 18,-3.0 18,-2.3 -2,-0.5 2,-0.3 -0.932 8.4-168.7-117.1 106.7 5.6 15.9 46.1 81 90 A V E -N 97 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.687 39.3 -91.4 -90.0 151.1 1.9 15.1 45.9 82 91 A H > - 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