Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD2 no hydrogen 3.173 N/A GLU 4.A N ASP 1.A O no hydrogen 3.411 N/A GLU 4.A N ASP 1.A OD2 no hydrogen 3.232 N/A MET 5.A N VAL 68.A O no hydrogen 2.833 N/A ASP 9.A N GLU 6.A O no hydrogen 3.228 N/A ILE 10.A N ARG 7.A O no hydrogen 3.287 N/A THR 11.A N VAL 28.A O no hydrogen 2.866 N/A LYS 13.A N GLU 26.A O no hydrogen 2.824 N/A LYS 13.A NZ GLU 26.A OE1 no hydrogen 2.895 N/A LYS 15.A NZ GLU 23.A OE2 no hydrogen 3.277 N/A LEU 16.A N VAL 24.A O no hydrogen 2.919 N/A GLY 19.A N LEU 16.A O no hydrogen 3.106 N/A GLN 20.A N GLY 17.A O no hydrogen 3.339 N/A GLN 20.A NE2 GLY 17.A O no hydrogen 2.889 N/A TYR 21.A OH ARG 131.A O no hydrogen 2.651 N/A GLY 22.A N GLY 19.A O no hydrogen 3.121 N/A VAL 24.A N GLY 22.A O no hydrogen 2.855 N/A TYR 25.A N VAL 38.A O no hydrogen 2.773 N/A TYR 25.A OH GLU 23.A OE1 no hydrogen 2.652 N/A GLU 26.A N HIS 14.A O no hydrogen 2.932 N/A GLY 27.A N VAL 36.A O no hydrogen 2.794 N/A VAL 28.A N THR 11.A O no hydrogen 2.850 N/A TRP 29.A N LEU 34.A O no hydrogen 2.719 N/A LYS 30.A N ASP 9.A O no hydrogen 3.320 N/A LYS 30.A NZ THR 8.A O no hydrogen 2.727 N/A LYS 30.A NZ THR 11.A OG1 no hydrogen 3.384 N/A TYR 32.A N TRP 29.A O no hydrogen 3.136 N/A SER 33.A N LYS 30.A O no hydrogen 3.179 N/A LEU 34.A N TRP 29.A O no hydrogen 3.159 N/A VAL 36.A N GLY 27.A O no hydrogen 2.741 N/A ALA 37.A N THR 79.A O no hydrogen 2.951 N/A VAL 38.A N TYR 25.A O no hydrogen 2.800 N/A LYS 39.A N ILE 77.A O no hydrogen 2.858 N/A LYS 39.A NZ GLU 50.A OE1 no hydrogen 3.423 N/A LYS 39.A NZ GLU 50.A OE2 no hydrogen 2.858 N/A THR 40.A N GLU 23.A O no hydrogen 2.880 N/A THR 40.A OG1 PHE 75.A O no hydrogen 2.928 N/A LEU 41.A N THR 40.A OG1 no hydrogen 2.775 N/A GLU 45.A N GLU 43.A OE1 no hydrogen 3.101 N/A GLU 46.A N GLU 43.A OE2 no hydrogen 2.919 N/A PHE 47.A N GLU 43.A O no hydrogen 3.142 N/A LEU 48.A N VAL 44.A O no hydrogen 3.055 N/A LYS 49.A N GLU 45.A O no hydrogen 3.152 N/A GLU 50.A N GLU 46.A O no hydrogen 3.048 N/A ALA 51.A N PHE 47.A O no hydrogen 3.103 N/A ALA 52.A N LEU 48.A O no hydrogen 3.091 N/A VAL 53.A N LYS 49.A O no hydrogen 2.850 N/A MET 54.A N GLU 50.A O no hydrogen 2.982 N/A LYS 55.A NZ ASP 1.A OD1 no hydrogen 2.913 N/A GLU 56.A N VAL 53.A O no hydrogen 3.075 N/A ILE 57.A N MET 54.A O no hydrogen 3.305 N/A LYS 58.A N TYR 117.A OH no hydrogen 3.177 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 3.024 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 3.145 N/A LEU 62.A N HIS 59.A O no hydrogen 3.103 N/A VAL 63.A N VAL 143.A O no hydrogen 3.309 N/A GLN 64.A N GLU 80.A OE1 no hydrogen 2.798 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 2.803 N/A LEU 66.A N ILE 78.A O no hydrogen 2.696 N/A GLY 67.A N ILE 78.A O no hydrogen 3.217 N/A VAL 68.A N TRP 3.A O no hydrogen 3.000 N/A CYS 69.A N TYR 76.A O no hydrogen 3.004 N/A CYS 69.A SG MET 5.A O no hydrogen 3.469 N/A THR 70.A N GLU 4.A OE2 no hydrogen 2.798 N/A THR 70.A OG1 GLU 4.A OE1 no hydrogen 2.630 N/A TYR 76.A N CYS 69.A O no hydrogen 3.061 N/A ILE 77.A N LYS 39.A O no hydrogen 2.828 N/A ILE 78.A N GLY 67.A O no hydrogen 2.844 N/A THR 79.A N ALA 37.A O no hydrogen 2.847 N/A THR 79.A OG1 GLU 80.A O no hydrogen 3.115 N/A GLU 80.A N GLN 64.A O no hydrogen 3.175 N/A THR 83.A OG1 GLU 137.A OE2 no hydrogen 2.805 N/A TYR 84.A N VAL 135.A O no hydrogen 3.063 N/A GLY 85.A N MET 82.A O no hydrogen 3.136 N/A ASN 86.A ND2 TYR 21.A OH no hydrogen 3.107 N/A LEU 87.A N CYS 133.A O no hydrogen 2.792 N/A LEU 88.A N ALA 130.A O no hydrogen 3.353 N/A ASP 89.A N ASN 86.A OD1 no hydrogen 2.907 N/A TYR 90.A N ASN 86.A O no hydrogen 3.057 N/A LEU 91.A N LEU 87.A O no hydrogen 2.899 N/A ARG 92.A N LEU 88.A O no hydrogen 3.119 N/A ARG 92.A NE GLY 200.A O no hydrogen 2.628 N/A ARG 92.A NH2 GLY 200.A O no hydrogen 3.058 N/A GLU 93.A N ASP 89.A O no hydrogen 3.021 N/A CYS 94.A SG LEU 91.A O no hydrogen 3.342 N/A GLN 97.A N ASN 95.A OD1 no hydrogen 2.974 N/A GLU 98.A N ASN 95.A O no hydrogen 3.043 N/A VAL 99.A N ASN 95.A O no hydrogen 2.804 N/A LEU 104.A N SER 100.A O no hydrogen 3.049 N/A LEU 105.A N ALA 101.A O no hydrogen 3.111 N/A TYR 106.A N VAL 102.A O no hydrogen 2.926 N/A MET 107.A N VAL 103.A O no hydrogen 2.878 N/A ALA 108.A N LEU 104.A O no hydrogen 3.048 N/A THR 109.A N LEU 105.A O no hydrogen 2.929 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.632 N/A THR 109.A OG1 PHE 257.A O no hydrogen 3.269 N/A GLN 110.A N TYR 106.A O no hydrogen 3.062 N/A GLN 110.A NE2 TYR 106.A O no hydrogen 3.339 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.941 N/A ILE 111.A N MET 107.A O no hydrogen 3.041 N/A SER 112.A N ALA 108.A O no hydrogen 3.084 N/A SER 112.A OG ALA 108.A O no hydrogen 3.111 N/A SER 112.A OG THR 109.A O no hydrogen 2.968 N/A SER 112.A OG HIS 254.A ND1 no hydrogen 3.386 N/A SER 113.A N THR 109.A O no hydrogen 2.976 N/A SER 113.A OG HIS 59.A NE2 no hydrogen 3.263 N/A ALA 114.A N GLN 110.A O no hydrogen 3.165 N/A MET 115.A N ILE 111.A O no hydrogen 2.989 N/A GLU 116.A N SER 112.A O no hydrogen 2.852 N/A TYR 117.A N SER 113.A O no hydrogen 3.114 N/A LEU 118.A N ALA 114.A O no hydrogen 3.114 N/A GLU 119.A N MET 115.A O no hydrogen 2.992 N/A LYS 120.A N GLU 116.A O no hydrogen 2.903 N/A LYS 121.A N TYR 117.A O no hydrogen 2.803 N/A PHE 123.A N LEU 118.A O no hydrogen 2.789 N/A ILE 124.A N SER 149.A O no hydrogen 2.987 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.808 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.766 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.926 N/A ARG 126.A NH2 SER 149.A OG no hydrogen 2.895 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.067 N/A ALA 130.A N GLU 195.A OE2 no hydrogen 2.979 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.209 N/A ASN 132.A N ALA 129.A O no hydrogen 3.034 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.736 N/A CYS 133.A N ALA 130.A O no hydrogen 3.180 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.408 N/A LEU 134.A N LYS 142.A O no hydrogen 2.708 N/A VAL 135.A N GLY 85.A O no hydrogen 2.772 N/A GLY 136.A N LEU 140.A O no hydrogen 2.772 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 3.044 N/A HIS 139.A NE2 GLU 98.A OE2 no hydrogen 3.130 N/A LEU 140.A N GLU 137.A O no hydrogen 3.421 N/A VAL 141.A N GLN 110.A OE1 no hydrogen 2.799 N/A LYS 142.A N LEU 134.A O no hydrogen 2.795 N/A LYS 142.A NZ GLU 80.A OE1 no hydrogen 2.675 N/A LYS 142.A NZ GLU 80.A OE2 no hydrogen 3.103 N/A VAL 143.A N ASN 61.A O no hydrogen 2.860 N/A ALA 144.A N ASN 132.A O no hydrogen 2.926 N/A SER 149.A N ILE 124.A O no hydrogen 3.025 N/A SER 149.A OG GLY 147.A O no hydrogen 3.509 N/A ARG 150.A NH1 GLU 56.A OE1 no hydrogen 2.700 N/A ARG 150.A NH1 GLU 56.A OE2 no hydrogen 3.155 N/A ARG 150.A NH2 GLU 56.A OE2 no hydrogen 2.867 N/A LEU 151.A N ASN 122.A O no hydrogen 3.055 N/A THR 153.A N ASN 122.A OD1 no hydrogen 2.970 N/A THR 153.A OG1 GLU 119.A O no hydrogen 2.535 N/A THR 153.A OG1 ASN 122.A OD1 no hydrogen 3.270 N/A ASP 155.A N MET 152.A O no hydrogen 2.898 N/A PHE 157.A N PHE 180.A O no hydrogen 2.742 N/A ALA 159.A N ASN 178.A O no hydrogen 2.894 N/A ALA 163.A N HIS 160.A O no hydrogen 3.213 N/A LYS 168.A NZ PRO 203.A O no hydrogen 2.953 N/A LYS 168.A NZ TYR 204.A O no hydrogen 2.865 N/A LYS 168.A NZ ILE 207.A O no hydrogen 2.734 N/A TRP 169.A N PRO 166.A O no hydrogen 3.045 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 2.839 N/A THR 170.A N ILE 167.A O no hydrogen 3.040 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.624 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.802 N/A SER 174.A N ALA 171.A O no hydrogen 2.939 N/A SER 174.A OG LYS 179.A O no hydrogen 2.661 N/A LEU 175.A N ALA 171.A O no hydrogen 3.026 N/A ALA 176.A N PRO 172.A O no hydrogen 3.024 N/A TYR 177.A N GLU 173.A O no hydrogen 2.999 N/A ASN 178.A N SER 174.A O no hydrogen 2.918 N/A ASN 178.A ND2 ALA 159.A O no hydrogen 3.487 N/A LYS 179.A N GLU 173.A O no hydrogen 3.325 N/A PHE 180.A N PHE 157.A O no hydrogen 2.757 N/A SER 181.A N SER 184.A OG no hydrogen 2.857 N/A LYS 183.A N SER 181.A OG no hydrogen 3.225 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.921 N/A SER 184.A N SER 181.A O no hydrogen 3.065 N/A SER 184.A OG SER 181.A O no hydrogen 2.608 N/A ASP 185.A N SER 181.A O no hydrogen 3.369 N/A VAL 186.A N ILE 182.A O no hydrogen 3.045 N/A TRP 187.A N LYS 183.A O no hydrogen 3.170 N/A ALA 188.A N SER 184.A O no hydrogen 3.162 N/A PHE 189.A N ASP 185.A O no hydrogen 2.813 N/A GLY 190.A N VAL 186.A O no hydrogen 3.085 N/A VAL 191.A N TRP 187.A O no hydrogen 3.229 N/A LEU 192.A N ALA 188.A O no hydrogen 2.833 N/A LEU 193.A N PHE 189.A O no hydrogen 2.789 N/A TRP 194.A N GLY 190.A O no hydrogen 3.134 N/A GLU 195.A N VAL 191.A O no hydrogen 2.950 N/A ILE 196.A N LEU 192.A O no hydrogen 2.911 N/A ALA 197.A N LEU 193.A O no hydrogen 2.893 N/A THR 198.A N TRP 194.A O no hydrogen 3.140 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.949 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.246 N/A TYR 199.A N ILE 196.A O no hydrogen 3.134 N/A TYR 199.A OH VAL 99.A O no hydrogen 2.711 N/A GLY 200.A N GLU 195.A O no hydrogen 2.704 N/A MET 201.A N THR 198.A OG1 no hydrogen 3.120 N/A ILE 207.A N TYR 204.A O no hydrogen 3.030 N/A SER 210.A N ASP 208.A OD1 no hydrogen 3.358 N/A SER 210.A OG ASP 208.A OD1 no hydrogen 2.672 N/A GLN 211.A N ASP 208.A O no hydrogen 2.805 N/A VAL 212.A N PRO 209.A O no hydrogen 3.234 N/A LEU 215.A N GLN 211.A O no hydrogen 3.437 N/A LEU 216.A N VAL 212.A O no hydrogen 3.010 N/A GLU 217.A N TYR 213.A O no hydrogen 3.004 N/A LYS 218.A N LEU 215.A O no hydrogen 3.179 N/A ASP 219.A N LEU 216.A O no hydrogen 3.118 N/A TYR 220.A N LEU 215.A O no hydrogen 2.901 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.752 N/A ARG 221.A NH1 LEU 216.A O no hydrogen 2.974 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.910 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.902 N/A ARG 224.A NH1 CYS 228.A O no hydrogen 3.080 N/A CYS 228.A N PRO 225.A O no hydrogen 3.226 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.516 N/A TYR 233.A N PRO 229.A O no hydrogen 3.095 N/A TYR 233.A OH MET 222.A O no hydrogen 2.647 N/A GLU 234.A N GLU 230.A O no hydrogen 2.987 N/A LEU 235.A N LYS 231.A O no hydrogen 3.301 N/A MET 236.A N VAL 232.A O no hydrogen 3.051 N/A ARG 237.A N TYR 233.A O no hydrogen 2.993 N/A ARG 237.A NH1 TYR 233.A OH no hydrogen 2.807 N/A ALA 238.A N GLU 234.A O no hydrogen 3.138 N/A CYS 239.A N LEU 235.A O no hydrogen 2.969 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.272 N/A TRP 240.A N MET 236.A O no hydrogen 3.060 N/A TRP 240.A N ARG 237.A O no hydrogen 3.144 N/A GLN 241.A N ALA 238.A O no hydrogen 3.387 N/A SER 245.A N ASN 243.A OD1 no hydrogen 3.375 N/A SER 245.A OG ASN 243.A OD1 no hydrogen 2.790 N/A ASP 246.A N ASN 243.A O no hydrogen 2.920 N/A ARG 247.A N PRO 244.A O no hydrogen 3.174 N/A ARG 247.A NE GLN 241.A O no hydrogen 2.732 N/A ARG 247.A NH1 GLU 173.A OE1 no hydrogen 3.521 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.757 N/A ARG 247.A NH1 LYS 183.A O no hydrogen 2.947 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.839 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 3.119 N/A ARG 247.A NH2 TRP 242.A O no hydrogen 2.953 N/A SER 249.A N GLU 252.A OE1 no hydrogen 3.216 N/A PHE 250.A N GLU 119.A OE2 no hydrogen 2.882 N/A ALA 251.A N GLU 119.A OE1 no hydrogen 3.229 N/A GLU 252.A N SER 249.A OG no hydrogen 3.235 N/A ILE 253.A N SER 249.A O no hydrogen 3.120 N/A HIS 254.A N PHE 250.A O no hydrogen 2.856 N/A GLN 255.A N ALA 251.A O no hydrogen 3.149 N/A GLN 255.A NE2 THR 259.A OG1 no hydrogen 3.215 N/A ALA 256.A N GLU 252.A O no hydrogen 3.149 N/A PHE 257.A N ILE 253.A O no hydrogen 2.978 N/A GLU 258.A N HIS 254.A O no hydrogen 2.852 N/A THR 259.A N GLN 255.A O no hydrogen 3.109 N/A THR 259.A OG1 GLN 255.A O no hydrogen 2.823 N/A MET 260.A N ALA 256.A O no hydrogen 3.032 N/A PHE 261.A N PHE 257.A O no hydrogen 2.792 N/A GLN 262.A N GLU 258.A O no hydrogen 2.970 N/A GLU 263.A N THR 259.A O no hydrogen 3.001 N/A SER 264.A N MET 260.A O no hydrogen 3.009 N/A SER 265.A N PHE 261.A O no hydrogen 3.042 N/A SER 265.A OG PHE 261.A O no hydrogen 3.030 N/A ILE 266.A N GLN 262.A O no hydrogen 3.131 N/A