Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pab_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 2.A O no hydrogen 3.306 N/A MET 1.A N HIS 4.A NE2 no hydrogen 3.493 N/A HIS 4.A N VAL 104.A O no hydrogen 2.845 N/A HIS 4.A ND1 ASP 30.A OD1 no hydrogen 3.261 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.785 N/A SER 5.A N ASP 30.A OD1 no hydrogen 3.218 N/A LEU 6.A N CYS 102.A O no hydrogen 2.980 N/A ARG 7.A N TYR 28.A O no hydrogen 3.003 N/A TYR 8.A N SER 100.A O no hydrogen 2.660 N/A PHE 9.A N VAL 26.A O no hydrogen 2.718 N/A VAL 10.A N VAL 98.A O no hydrogen 2.800 N/A THR 11.A N MET 24.A O no hydrogen 2.999 N/A ALA 12.A N ILE 96.A O no hydrogen 2.873 N/A VAL 13.A N ARG 22.A O.A no hydrogen 2.963 N/A VAL 13.A N ARG 22.A O.B no hydrogen 2.987 N/A SER 14.A N HIS 94.A O no hydrogen 2.912 N/A SER 14.A OG HIS 94.A O no hydrogen 3.556 N/A ARG 15.A NE GLU 20.A O no hydrogen 2.701 N/A ARG 15.A NH2 GLU 20.A O no hydrogen 3.053 N/A LEU 18.A N ARG 15.A O no hydrogen 2.988 N/A ARG 22.A N.A VAL 13.A O no hydrogen 2.923 N/A ARG 22.A N.B VAL 13.A O no hydrogen 2.935 N/A TYR 23.A N SER 39.A OG no hydrogen 2.882 N/A TYR 23.A OH GLU 25.A OE2 no hydrogen 2.501 N/A MET 24.A N THR 11.A O no hydrogen 2.900 N/A GLU 25.A N PHE 37.A O no hydrogen 2.948 N/A VAL 26.A N PHE 9.A O no hydrogen 2.885 N/A GLY 27.A N VAL 35.A O no hydrogen 3.033 N/A TYR 28.A N ARG 7.A O no hydrogen 2.751 N/A VAL 29.A N THR 32.A O no hydrogen 2.740 N/A ASP 30.A N SER 5.A O no hydrogen 3.063 N/A THR 32.A N VAL 29.A O no hydrogen 2.691 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.836 N/A PHE 34.A N GLY 27.A O no hydrogen 2.894 N/A ARG 36.A NE GLU 33.A OE2 no hydrogen 2.994 N/A ARG 36.A NH2 GLU 33.A OE1 no hydrogen 3.003 N/A PHE 37.A N GLU 25.A O no hydrogen 2.732 N/A SER 39.A N TYR 23.A O no hydrogen 2.818 N/A SER 39.A OG TYR 23.A O no hydrogen 3.347 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.949 N/A ALA 41.A N SER 39.A O no hydrogen 2.785 N/A TYR 46.A N THR 65.A OG1 no hydrogen 2.962 N/A TYR 46.A OH GLU 25.A OE1 no hydrogen 2.417 N/A GLU 47.A N ARG 36.A O no hydrogen 2.984 N/A ARG 49.A N PHE 34.A O no hydrogen 2.981 N/A MET 53.A N ARG 49.A O no hydrogen 3.069 N/A TRP 61.A NE1 TRP 52.A O no hydrogen 3.007 N/A GLU 62.A N PRO 58.A O no hydrogen 2.975 N/A ARG 63.A N GLU 59.A O no hydrogen 3.046 N/A GLU 64.A N TYR 60.A O no hydrogen 2.991 N/A THR 65.A N TRP 61.A O no hydrogen 2.863 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.808 N/A GLN 66.A N GLU 62.A O no hydrogen 3.025 N/A LYS 67.A N ARG 63.A O no hydrogen 2.957 N/A LYS 67.A NZ GLU 64.A OE1 no hydrogen 2.817 N/A ALA 68.A N GLU 64.A O no hydrogen 2.823 N/A LYS 69.A N.A THR 65.A O no hydrogen 2.970 N/A LYS 69.A N.B THR 65.A O no hydrogen 2.970 N/A LYS 69.A NZ.B ASN 43.A OD1 no hydrogen 3.485 N/A GLY 70.A N GLN 66.A O no hydrogen 3.101 N/A ASN 71.A N LYS 67.A O no hydrogen 2.915 N/A ASN 71.A ND2 GLU 25.A OE2 no hydrogen 3.043 N/A GLU 72.A N ALA 68.A O no hydrogen 2.744 N/A GLN 73.A N LYS 69.A O.A no hydrogen 3.095 N/A GLN 73.A N LYS 69.A O.B no hydrogen 3.150 N/A SER 74.A N GLY 70.A O no hydrogen 3.008 N/A PHE 75.A N ASN 71.A O no hydrogen 2.843 N/A ARG 76.A N.A GLU 72.A O no hydrogen 3.035 N/A ARG 76.A N.B GLU 72.A O no hydrogen 3.033 N/A ARG 76.A N.B GLN 73.A O no hydrogen 3.068 N/A ARG 76.A NE.B GLN 73.A OE1 no hydrogen 3.363 N/A ARG 76.A NH1.A ARG 76.A O.A no hydrogen 3.068 N/A VAL 77.A N GLN 73.A O no hydrogen 3.221 N/A ASP 78.A N SER 74.A O no hydrogen 3.116 N/A LEU 79.A N PHE 75.A O no hydrogen 3.002 N/A ARG 80.A N ARG 76.A O.A no hydrogen 3.435 N/A ARG 80.A N ARG 76.A O.B no hydrogen 3.442 N/A THR 81.A N VAL 77.A O no hydrogen 2.752 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.994 N/A LEU 82.A N ASP 78.A O no hydrogen 2.813 N/A LEU 83.A N LEU 79.A O no hydrogen 3.265 N/A GLY 84.A N ARG 80.A O no hydrogen 3.428 N/A TYR 85.A N THR 81.A O no hydrogen 3.055 N/A TYR 86.A N LEU 82.A O no hydrogen 2.940 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.665 N/A ASN 87.A N GLY 84.A O no hydrogen 3.217 N/A GLN 88.A N LEU 83.A O no hydrogen 2.859 N/A GLY 91.A N SER 89.A OG no hydrogen 2.988 N/A SER 93.A OG SER 14.A O no hydrogen 2.560 N/A HIS 94.A N SER 14.A OG no hydrogen 3.119 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.771 N/A THR 95.A N ASP 120.A OD1 no hydrogen 3.037 N/A ILE 96.A N ALA 12.A O no hydrogen 2.814 N/A GLN 97.A N ALA 118.A O no hydrogen 2.953 N/A VAL 98.A N VAL 10.A O no hydrogen 2.905 N/A ILE 99.A N GLN 116.A O no hydrogen 2.997 N/A SER 100.A N TYR 8.A O no hydrogen 2.880 N/A SER 100.A OG GLN 115.A OE1 no hydrogen 2.663 N/A GLY 101.A N TYR 114.A O no hydrogen 2.950 N/A CYS 102.A N LEU 6.A O no hydrogen 2.940 N/A GLU 103.A N ARG 112.A O no hydrogen 2.785 N/A VAL 104.A N HIS 4.A O no hydrogen 2.784 N/A GLY 105.A N ARG 109.A O no hydrogen 2.897 N/A GLY 108.A N GLY 105.A O no hydrogen 3.102 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 2.907 N/A LEU 111.A N GLU 103.A O no hydrogen 2.605 N/A ARG 112.A N GLU 103.A O no hydrogen 3.096 N/A ARG 112.A NE GLU 103.A OE2 no hydrogen 3.453 N/A ARG 112.A NH2 GLU 103.A OE2 no hydrogen 3.539 N/A TYR 114.A N GLY 101.A O no hydrogen 2.495 N/A GLN 116.A N ILE 99.A O no hydrogen 3.052 N/A TYR 117.A N ILE 125.A O no hydrogen 2.827 N/A ALA 118.A N GLN 97.A O no hydrogen 2.878 N/A TYR 119.A N CYS 122.A O no hydrogen 2.914 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.744 N/A ASP 120.A N THR 95.A O no hydrogen 2.861 N/A CYS 122.A N TYR 119.A O no hydrogen 2.946 N/A TYR 124.A N TYR 117.A O no hydrogen 2.781 N/A TYR 124.A OH THR 144.A OG1 no hydrogen 2.804 N/A ALA 126.A N THR 135.A O no hydrogen 3.031 N/A LEU 127.A N GLN 115.A O no hydrogen 2.942 N/A ASN 128.A N THR 133.A O no hydrogen 2.836 N/A ASN 128.A ND2 THR 135.A OG1 no hydrogen 2.479 N/A LEU 131.A N ASN 128.A O no hydrogen 2.870 N/A LYS 132.A N ASP 130.A OD1 no hydrogen 2.660 N/A THR 133.A N ASP 130.A OD1 no hydrogen 2.951 N/A THR 133.A OG1 ASN 128.A OD1 no hydrogen 2.571 N/A THR 133.A OG1 ASP 130.A OD1 no hydrogen 3.495 N/A THR 133.A OG1 ASP 130.A OD2 no hydrogen 2.889 N/A THR 135.A N ALA 126.A O no hydrogen 2.836 N/A ALA 137.A N TYR 124.A O no hydrogen 2.805 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.842 N/A LEU 142.A N ASP 138.A O no hydrogen 3.155 N/A LEU 142.A N MET 139.A O no hydrogen 3.262 N/A ILE 143.A N ALA 140.A O no hydrogen 3.025 N/A THR 144.A OG1 TYR 124.A OH no hydrogen 2.804 N/A LYS 145.A N ALA 141.A O no hydrogen 2.795 N/A LYS 145.A NZ TRP 134.A O no hydrogen 3.083 N/A HIS 146.A N LEU 142.A O no hydrogen 2.957 N/A LYS 147.A N ILE 143.A O no hydrogen 3.259 N/A LYS 147.A NZ TYR 85.A OH no hydrogen 3.107 N/A TRP 148.A N THR 144.A O no hydrogen 2.954 N/A GLU 149.A N LYS 145.A O no hydrogen 2.795 N/A GLN 150.A N HIS 146.A O no hydrogen 3.057 N/A ALA 151.A N LYS 147.A O no hydrogen 3.144 N/A GLU 153.A N TRP 148.A O no hydrogen 2.913 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.975 N/A ARG 156.A N GLY 152.A O no hydrogen 3.207 N/A ARG 156.A NE GLU 153.A OE1 no hydrogen 2.577 N/A ARG 156.A NE GLU 153.A OE2 no hydrogen 3.383 N/A ARG 156.A NH2 GLU 153.A OE2 no hydrogen 2.775 N/A LEU 157.A N GLU 153.A O no hydrogen 2.912 N/A ARG 158.A N ALA 154.A O no hydrogen 3.005 N/A ARG 158.A NH1 LEU 131.A O no hydrogen 3.060 N/A ALA 159.A N GLU 155.A O no hydrogen 3.256 N/A TYR 160.A N ARG 156.A O no hydrogen 3.385 N/A LEU 161.A N LEU 157.A O no hydrogen 2.724 N/A GLU 162.A N ARG 158.A O no hydrogen 2.731 N/A GLY 163.A N ALA 159.A O no hydrogen 2.680 N/A CYS 165.A N TYR 160.A O no hydrogen 2.747 N/A VAL 166.A N LEU 161.A O no hydrogen 3.248 N/A GLU 167.A N GLY 163.A O no hydrogen 2.985 N/A TRP 168.A N THR 164.A O no hydrogen 3.008 N/A LEU 169.A N CYS 165.A O no hydrogen 3.128 N/A ARG 170.A N VAL 166.A O no hydrogen 2.951 N/A ARG 170.A NE GLY 108.A O no hydrogen 2.934 N/A ARG 170.A NH2 GLY 108.A O no hydrogen 3.179 N/A ARG 171.A N GLU 167.A O no hydrogen 2.942 N/A TYR 172.A N TRP 168.A O no hydrogen 2.972 N/A GLY 176.A N TYR 172.A O no hydrogen 2.802 N/A ALA 178.A N TYR 172.A OH no hydrogen 2.970 N/A THR 183.A N LEU 180.A O no hydrogen 3.225 N/A THR 183.A OG1 THR 179.A O no hydrogen 3.014 N/A ASP 184.A N TYR 210.A O no hydrogen 2.789 N/A LYS 187.A N LEU 207.A O no hydrogen 2.913 N/A HIS 189.A N TRP 205.A O no hydrogen 3.202 N/A THR 191.A N ARG 203.A O no hydrogen 2.800 N/A THR 191.A OG1 HIS 193.A NE2 no hydrogen 2.647 N/A HIS 192.A NE2 GLU 255.A OE2 no hydrogen 2.816 N/A HIS 193.A N THR 201.A O no hydrogen 2.866 N/A HIS 193.A NE2 THR 191.A OG1 no hydrogen 2.647 N/A ARG 195.A N LYS 199.A O no hydrogen 3.263 N/A LYS 199.A NZ ASP 198.A OD1 no hydrogen 3.430 N/A VAL 200.A N VAL 250.A O no hydrogen 2.899 N/A THR 201.A N HIS 193.A O no hydrogen 2.723 N/A LEU 202.A N VAL 248.A O no hydrogen 2.954 N/A ARG 203.A N THR 191.A O no hydrogen 2.914 N/A ARG 203.A NH1 SER 247.A OG no hydrogen 3.235 N/A CYS 204.A N ALA 246.A O no hydrogen 2.780 N/A TRP 205.A N HIS 189.A O no hydrogen 2.898 N/A TRP 205.A NE1 THR 191.A OG1 no hydrogen 3.111 N/A ALA 206.A N LYS 244.A O no hydrogen 2.909 N/A LEU 207.A N LYS 187.A O no hydrogen 2.942 N/A PHE 209.A N PHE 242.A O no hydrogen 3.501 N/A TYR 210.A N ASP 184.A O no hydrogen 2.968 N/A THR 215.A N TYR 263.A O no hydrogen 3.039 N/A THR 217.A N HIS 261.A O no hydrogen 2.855 N/A TRP 218.A NE1 ALA 246.A O no hydrogen 2.927 N/A GLN 219.A N THR 259.A O no hydrogen 2.744 N/A ASN 221.A N TYR 257.A O no hydrogen 3.352 N/A LEU 225.A N TRP 218.A O no hydrogen 2.947 N/A GLU 230.A N SER 247.A O no hydrogen 2.960 N/A VAL 232.A N TRP 245.A O no hydrogen 3.374 N/A ARG 235.A N GLN 243.A O no hydrogen 2.995 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.967 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.296 N/A ALA 237.A N THR 241.A O no hydrogen 2.639 N/A THR 241.A N ASP 239.A OD1 no hydrogen 2.962 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.782 N/A PHE 242.A N PHE 209.A O no hydrogen 2.854 N/A GLN 243.A N ARG 235.A O no hydrogen 2.766 N/A LYS 244.A N ALA 206.A O no hydrogen 2.999 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.828 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 3.230 N/A ALA 246.A N CYS 204.A O no hydrogen 2.964 N/A SER 247.A N GLU 230.A O no hydrogen 2.706 N/A VAL 248.A N LEU 202.A O no hydrogen 2.997 N/A VAL 250.A N VAL 200.A O no hydrogen 2.882 N/A LEU 252.A N ASP 198.A O no hydrogen 2.924 N/A GLY 253.A N GLU 255.A OE1 no hydrogen 2.939 N/A LYS 254.A N PRO 251.A O no hydrogen 3.126 N/A LYS 254.A NZ TYR 257.A OH no hydrogen 3.448 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.749 N/A GLN 256.A NE2 TRP 275.A O no hydrogen 2.987 N/A TYR 257.A N LYS 254.A O no hydrogen 3.119 N/A TYR 258.A N GLU 255.A O no hydrogen 3.400 N/A THR 259.A N GLN 219.A O no hydrogen 2.876 N/A CYS 260.A N LEU 273.A O no hydrogen 2.672 N/A CYS 260.A SG THR 217.A O no hydrogen 3.628 N/A HIS 261.A N THR 217.A O no hydrogen 2.762 N/A VAL 262.A N LEU 271.A O no hydrogen 2.972 N/A TYR 263.A N THR 215.A O no hydrogen 2.912 N/A HIS 264.A NE2 PRO 211.A O no hydrogen 2.897 N/A GLY 266.A N HIS 264.A ND1 no hydrogen 3.047 N/A LEU 267.A N HIS 264.A O no hydrogen 2.827 N/A LEU 271.A N VAL 262.A O no hydrogen 2.877 N/A LEU 273.A N CYS 260.A O no hydrogen 2.835 N/A ARG 274.A NE GLN 256.A O no hydrogen 3.161 N/A