==== 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 2BD3 . COMPND 2 MOLECULE: BETA-CASOMORPHIN-7; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 245 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 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 . 86 35.1 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 2.4 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.2 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 3 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 0 1 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 4 P V 0 0 53 0, 0.0 214,-0.2 0, 0.0 92,-0.2 0.000 360.0 360.0 360.0 120.1 -16.9 18.0 40.3 2 5 P E E -A 214 0A 77 212,-4.0 212,-2.3 216,-0.1 216,-0.0 -0.864 360.0-138.3-109.1 105.5 -14.6 19.5 37.5 3 6 P P E A 213 0A 37 0, 0.0 210,-0.3 0, 0.0 209,-0.1 -0.190 360.0 360.0 -57.7 148.2 -10.9 20.2 38.4 4 7 P I 0 0 0 208,-1.5 189,-3.8 186,-0.1 188,-1.3 -0.128 360.0 360.0-134.6 360.0 -9.7 23.6 36.9 5 !* 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 6 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.7 -11.2 33.6 35.8 7 17 A V B 3 +I 187 0B 11 180,-2.4 180,-1.9 1,-0.2 134,-0.1 -0.783 360.0 10.3 -91.1 137.1 -14.7 34.3 34.6 8 18 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.792 97.2 141.8 64.4 31.6 -15.9 37.9 35.2 9 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.275 45.5-133.2 -90.9-179.7 -12.5 39.1 36.3 10 20 A T E -B 152 0A 90 142,-2.4 142,-2.7 -2,-0.1 2,-0.3 -0.896 39.9 -87.7-127.4 156.4 -10.7 42.4 35.8 11 21 A E E -B 151 0A 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.535 45.9-128.9 -69.0 128.1 -7.1 42.7 34.8 12 22 A A - 0 0 3 138,-2.5 2,-0.1 -2,-0.3 138,-0.1 -0.461 24.8-105.6 -69.8 149.7 -4.8 42.6 37.8 13 23 A Q > - 0 0 73 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.494 36.7-108.5 -67.5 149.8 -2.2 45.4 38.2 14 24 A R T 3 S+ 0 0 100 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.715 114.7 34.5 -50.9 -34.4 1.3 44.1 37.4 15 25 A N T 3 S+ 0 0 90 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.184 90.0 96.0-113.4 15.9 2.5 44.2 41.1 16 26 A S S < S+ 0 0 54 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.881 95.0 24.6 -72.2 -41.2 -0.7 43.3 42.9 17 27 A W > + 0 0 28 -4,-0.5 3,-1.8 -3,-0.1 -1,-0.2 -0.640 65.2 165.8-130.7 66.9 -0.1 39.6 43.4 18 28 A P T 3 S+ 0 0 33 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.542 72.7 62.1 -70.2 -6.8 3.6 38.9 43.3 19 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.560 78.7 108.6 -90.5 -7.4 3.4 35.3 44.7 20 30 A Q E < -J 38 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.508 49.8-174.0 -71.4 132.7 1.3 34.1 41.7 21 31 A I E -J 37 0C 0 16,-2.2 16,-0.9 -2,-0.2 2,-0.5 -0.852 23.7-129.2-120.7 159.0 3.1 31.8 39.4 22 32 A S E -JK 36 61C 0 39,-2.3 39,-2.5 -2,-0.3 2,-0.6 -0.956 17.4-153.4-105.1 123.4 2.3 30.2 36.0 23 33 A L E -JK 35 60C 0 12,-3.0 11,-3.0 -2,-0.5 12,-1.9 -0.892 23.6-179.3 -96.5 122.4 2.9 26.4 35.9 24 34 A Q E -JK 33 59C 10 35,-2.7 35,-2.3 -2,-0.6 2,-0.3 -0.854 17.8-147.9-125.9 153.0 3.6 25.4 32.3 25 35 A Y E -JK 32 58C 68 7,-2.3 7,-2.6 -2,-0.3 2,-0.3 -0.922 30.5-101.6-122.8 152.1 4.4 22.2 30.5 26 36 A R E +J 31 0C 54 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.536 39.2 177.6 -73.6 133.1 6.5 21.5 27.5 27 36AA S E > -J 30 0C 53 3,-3.0 3,-2.1 -2,-0.3 2,-0.3 -0.909 59.9 -52.6-144.2 99.5 4.5 21.1 24.4 28 36BA G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.481 120.1 -22.2 66.5-124.0 6.5 20.6 21.2 29 36CA S T 3 S+ 0 0 132 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.264 133.1 61.9 -98.9 9.3 9.1 23.4 20.9 30 37 A S E < S-J 27 0C 66 -3,-2.1 -3,-3.0 -5,-0.0 2,-0.4 -0.607 77.0-116.7-125.1-175.5 7.0 25.6 23.2 31 38 A W E -J 26 0C 92 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.969 21.8-156.7-124.5 142.2 5.5 25.9 26.7 32 39 A A E -J 25 0C 27 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.2 -0.975 19.9-121.2-122.9 130.6 1.9 26.0 27.6 33 40 A H E +J 24 0C 21 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.497 38.9 160.6 -62.8 135.0 0.3 27.4 30.7 34 41 A T E - 0 0 30 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.680 55.8 -4.7-124.1 -31.4 -1.7 24.8 32.6 35 42 A a E -J 23 0C 0 -12,-1.9 -12,-3.0 212,-0.2 -1,-0.4 -0.949 60.0-113.2-155.7 167.1 -2.2 25.9 36.1 36 43 A G E +J 22 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.397 29.4 178.1 -95.5-178.8 -1.4 28.5 38.7 37 44 A G E -J 21 0C 0 -16,-0.9 -16,-2.2 -2,-0.1 2,-0.4 -0.948 26.4-116.7-169.2 171.3 0.6 28.2 41.9 38 45 A T E -JL 20 46C 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.5 -0.995 23.0-130.1-124.7 125.5 1.8 30.3 44.8 39 46 A L E + L 0 45C 0 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.651 34.4 167.2 -70.1 121.1 5.6 30.9 45.5 40 47 A I E + 0 0 2 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.621 66.5 15.1-113.9 -22.5 6.0 30.0 49.2 41 48 A R E > S- L 0 44C 90 3,-1.9 3,-1.5 74,-0.1 -1,-0.4 -0.911 89.2-100.5-135.8 166.6 9.8 29.8 49.4 42 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.792 128.1 28.4 -59.1 -22.0 12.4 31.1 46.9 43 50 A N T 3 S+ 0 0 49 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.128 112.6 75.3-125.0 21.8 12.7 27.4 45.8 44 51 A W E < -LM 41 103C 4 -3,-1.5 -4,-2.7 59,-0.2 -3,-1.9 -0.992 51.3-169.0-139.0 135.2 9.2 26.1 46.5 45 52 A V E -LM 39 102C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.959 13.8-145.3-118.0 136.2 5.8 26.5 44.9 46 53 A M E +LM 38 101C 0 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.885 37.0 145.5 -97.0 127.7 2.4 25.4 46.3 47 54 A T E - M 0 100C 0 53,-2.8 53,-2.3 -2,-0.5 2,-0.4 -0.738 50.6 -70.2-144.2-172.6 -0.1 24.2 43.6 48 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.5 -0.747 31.9-134.0 -89.7 141.3 -2.9 21.6 43.2 49 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.860 105.2 60.9 -54.8 -41.2 -2.1 17.9 43.0 50 57 A H G >4 S+ 0 0 21 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.754 93.6 65.1 -66.8 -16.3 -4.3 17.4 40.0 51 58 A a G <4 S+ 0 0 9 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.761 108.1 39.7 -72.1 -23.2 -2.2 19.9 38.1 52 59 A V G << S+ 0 0 12 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.130 80.4 103.5-118.6 23.5 0.7 17.5 38.2 53 60 A D < + 0 0 59 -3,-0.9 -1,-0.1 -4,-0.1 -2,-0.1 0.888 66.5 84.7 -66.7 -39.2 -1.0 14.1 37.7 54 61 A R S S- 0 0 53 -4,-0.3 2,-2.1 -3,-0.2 0, 0.0 -0.405 89.8-120.5 -71.6 143.9 0.3 14.0 34.1 55 62 A E + 0 0 198 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.298 67.7 138.1 -74.9 52.2 3.8 12.7 33.4 56 63 A L - 0 0 78 -2,-2.1 2,-0.6 -4,-0.1 -31,-0.0 -0.453 62.6-106.6 -99.6 167.2 4.8 16.0 31.8 57 64 A T - 0 0 93 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.874 45.0-164.1 -90.2 123.4 7.8 18.3 31.9 58 65 A F E -K 25 0C 11 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.814 16.5-178.5-112.1 146.8 6.9 21.3 34.0 59 65AA R E -KN 24 78C 47 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.945 19.2-136.5-132.1 160.7 8.5 24.8 34.5 60 66 A V E -KN 23 77C 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.5 -0.938 10.1-158.0-114.2 136.7 7.4 27.6 36.8 61 67 A V E -KN 22 76C 0 -39,-2.5 -39,-2.3 -2,-0.4 3,-0.3 -0.984 11.0-173.5-114.4 124.1 7.3 31.2 35.6 62 68 A V E + N 0 75C 2 13,-2.4 13,-2.2 -2,-0.5 52,-0.1 -0.754 68.4 33.5-107.2 157.9 7.5 33.9 38.3 63 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.807 86.2 151.9 69.4 25.8 7.1 37.6 37.7 64 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.721 16.9 150.5 -94.8 141.9 4.7 36.8 34.9 65 71 A H S S+ 0 0 8 -2,-0.3 85,-1.7 1,-0.3 2,-0.6 0.551 70.4 34.5-129.0 -53.6 1.8 39.1 33.8 66 72 A N B > -P 149 0D 9 3,-0.3 3,-0.9 83,-0.2 -1,-0.3 -0.930 61.3-159.9-112.3 117.6 1.1 38.6 30.1 67 73 A L T 3 S+ 0 0 39 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.742 92.4 46.1 -65.0 -20.1 1.5 35.0 28.9 68 74 A N T 3 S+ 0 0 108 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.388 111.2 48.5-108.7 -1.9 1.8 36.1 25.3 69 75 A Q S < S- 0 0 114 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.972 85.9 -98.1-144.7 152.6 4.3 39.0 25.6 70 76 A N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.600 31.9-178.7 -70.1 122.5 7.6 39.9 27.2 71 77 A N - 0 0 25 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.589 37.1-127.3 -95.2 -17.1 7.0 41.8 30.4 72 78 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.547 95.5 74.8 79.8 9.5 10.6 42.3 31.3 73 79 A T + 0 0 27 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.420 63.0 119.9-130.2 -4.5 10.1 40.8 34.7 74 80 A E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.380 37.2-168.1 -75.4 143.2 9.8 37.0 34.2 75 81 A Q E -N 62 0C 45 -13,-2.2 -13,-2.4 -2,-0.1 2,-0.4 -0.997 11.4-154.6-122.6 135.6 12.1 34.4 35.7 76 82 A Y E +N 61 0C 116 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.921 17.6 172.5-112.8 131.1 11.8 30.8 34.3 77 83 A V E -N 60 0C 7 -17,-2.5 -17,-3.0 -2,-0.4 -2,-0.0 -0.996 27.8-120.7-144.0 136.4 12.8 27.8 36.4 78 84 A G E -N 59 0C 33 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.273 28.3-115.6 -65.7 154.8 12.5 24.0 36.0 79 85 A V E +O 104 0C 31 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.867 31.4 179.9 -92.8 119.6 10.6 21.8 38.5 80 86 A Q E + 0 0 110 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.770 65.3 12.6 -91.5 -34.2 13.1 19.5 40.2 81 87 A K E -O 103 0C 87 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.985 59.1-155.5-148.6 138.7 10.8 17.5 42.6 82 88 A I E -O 102 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.975 8.1-171.7-117.8 124.3 7.1 17.1 42.9 83 89 A V E -O 101 0C 29 18,-3.0 18,-2.7 -2,-0.5 2,-0.3 -0.927 8.5-168.1-117.9 103.0 5.6 16.1 46.3 84 90 A V E -O 100 0C 44 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.639 39.1 -91.6 -84.9 148.1 1.9 15.3 46.0 85 91 A H > - 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