Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ej1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 2.936 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.682 N/A PHE 4.A N MET 1.A O no hydrogen 3.394 N/A GLN 5.A N ARG 22.A O no hydrogen 2.838 N/A VAL 7.A N LYS 20.A O no hydrogen 2.772 N/A GLU 8.A N LYS 20.A O no hydrogen 3.410 N/A ILE 10.A N VAL 18.A O no hydrogen 2.927 N/A GLY 11.A N VAL 18.A O no hydrogen 3.145 N/A VAL 18.A N GLY 11.A O no hydrogen 3.398 N/A TYR 19.A N LEU 32.A O no hydrogen 2.851 N/A LYS 20.A N GLU 8.A O no hydrogen 2.780 N/A ALA 21.A N VAL 30.A O no hydrogen 2.739 N/A ARG 22.A N GLN 5.A O no hydrogen 2.721 N/A ASN 23.A N GLU 28.A O no hydrogen 2.863 N/A LYS 24.A N ASN 3.A O no hydrogen 2.960 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.355 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.796 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.972 N/A GLY 27.A N ASN 23.A O no hydrogen 2.756 N/A VAL 30.A N ALA 21.A O no hydrogen 2.788 N/A ALA 31.A N PHE 77.A O no hydrogen 2.932 N/A LEU 32.A N TYR 19.A O no hydrogen 2.702 N/A LYS 33.A N LEU 75.A O no hydrogen 2.730 N/A LYS 33.A NZ GLU 48.A OE1 no hydrogen 3.014 N/A LYS 33.A NZ GLU 48.A OE2 no hydrogen 3.141 N/A LYS 34.A N VAL 17.A O no hydrogen 2.927 N/A ILE 35.A N LEU 73.A O no hydrogen 3.049 N/A ALA 45.A N PRO 42.A O no hydrogen 3.051 N/A ILE 46.A N PRO 42.A O no hydrogen 3.052 N/A ARG 47.A N SER 43.A O no hydrogen 2.947 N/A GLU 48.A N THR 44.A O no hydrogen 3.047 N/A ILE 49.A N ALA 45.A O no hydrogen 3.214 N/A SER 50.A N ILE 46.A O no hydrogen 3.254 N/A SER 50.A OG ILE 46.A O no hydrogen 3.040 N/A SER 50.A OG ARG 47.A O no hydrogen 3.519 N/A LEU 51.A N ARG 47.A O no hydrogen 2.994 N/A LEU 52.A N GLU 48.A O no hydrogen 3.085 N/A LYS 53.A N ILE 49.A O no hydrogen 3.021 N/A GLU 54.A N LEU 51.A O no hydrogen 3.050 N/A LEU 55.A N LEU 51.A O no hydrogen 3.361 N/A ASN 56.A N GLU 54.A O no hydrogen 3.117 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 2.926 N/A ASN 59.A ND2 GLN 107.A OE1 no hydrogen 3.073 N/A ASN 59.A ND2 ILE 138.A O no hydrogen 2.719 N/A ILE 60.A N HIS 57.A O no hydrogen 3.234 N/A VAL 61.A N LEU 140.A O no hydrogen 3.153 N/A LYS 62.A N GLU 78.A OE2 no hydrogen 3.127 N/A LEU 64.A N VAL 76.A O no hydrogen 2.665 N/A ASP 65.A N VAL 76.A O no hydrogen 3.234 N/A ILE 67.A N TYR 74.A O no hydrogen 2.985 N/A THR 69.A N LYS 72.A O no hydrogen 2.826 N/A THR 69.A OG1 ASN 71.A OD1 no hydrogen 3.313 N/A THR 69.A OG1 LYS 72.A O no hydrogen 2.615 N/A LYS 72.A N THR 69.A OG1 no hydrogen 2.785 N/A LEU 73.A N ILE 35.A O no hydrogen 3.343 N/A TYR 74.A N ILE 67.A O no hydrogen 2.946 N/A LEU 75.A N LYS 33.A O no hydrogen 2.953 N/A VAL 76.A N ASP 65.A O no hydrogen 2.756 N/A PHE 77.A N ALA 31.A O no hydrogen 2.738 N/A GLU 78.A N LYS 62.A O no hydrogen 3.045 N/A LEU 84.A N PRO 127.A O no hydrogen 3.131 N/A LEU 84.A N LEU 130.A O no hydrogen 2.895 N/A LYS 85.A N PRO 127.A O no hydrogen 3.372 N/A LYS 85.A NZ GLN 128.A OE1 no hydrogen 3.052 N/A LYS 86.A N ASP 83.A OD1 no hydrogen 2.908 N/A PHE 87.A N ASP 83.A O no hydrogen 3.169 N/A MET 88.A N LEU 84.A O no hydrogen 2.754 N/A ASP 89.A N LYS 85.A O no hydrogen 2.899 N/A ALA 90.A N LYS 86.A O no hydrogen 3.173 N/A SER 91.A N PHE 87.A O no hydrogen 2.901 N/A SER 91.A N MET 88.A O no hydrogen 3.089 N/A SER 91.A OG PHE 87.A O no hydrogen 3.121 N/A GLY 95.A N SER 91.A O no hydrogen 2.679 N/A LEU 100.A N PRO 97.A O no hydrogen 2.942 N/A ILE 101.A N PRO 97.A O no hydrogen 3.096 N/A LYS 102.A N LEU 98.A O no hydrogen 2.987 N/A LYS 102.A NZ ASP 285.A OD1 no hydrogen 3.061 N/A LYS 102.A NZ ASP 285.A OD2 no hydrogen 3.454 N/A SER 103.A N PRO 99.A O no hydrogen 3.225 N/A SER 103.A OG THR 287.A O no hydrogen 3.463 N/A TYR 104.A N LEU 100.A O no hydrogen 2.745 N/A LEU 105.A N ILE 101.A O no hydrogen 2.886 N/A PHE 106.A N LYS 102.A O no hydrogen 2.751 N/A GLN 107.A N SER 103.A O no hydrogen 3.068 N/A GLN 107.A NE2 SER 103.A O no hydrogen 3.187 N/A GLN 107.A NE2 GLY 136.A O no hydrogen 3.018 N/A LEU 108.A N TYR 104.A O no hydrogen 2.790 N/A LEU 109.A N LEU 105.A O no hydrogen 2.796 N/A GLN 110.A N PHE 106.A O no hydrogen 3.062 N/A GLY 111.A N GLN 107.A O no hydrogen 2.850 N/A LEU 112.A N LEU 108.A O no hydrogen 2.897 N/A ALA 113.A N LEU 109.A O no hydrogen 2.925 N/A PHE 114.A N GLN 110.A O no hydrogen 3.100 N/A CYS 115.A N GLY 111.A O no hydrogen 2.948 N/A CYS 115.A SG GLY 111.A O no hydrogen 3.400 N/A HIS 116.A N LEU 112.A O no hydrogen 2.933 N/A HIS 116.A NE2 ASP 182.A OD2 no hydrogen 2.773 N/A SER 117.A N ALA 113.A O no hydrogen 3.021 N/A SER 117.A OG ALA 113.A O no hydrogen 2.617 N/A SER 117.A OG PHE 114.A O no hydrogen 3.368 N/A HIS 118.A N CYS 115.A O no hydrogen 2.893 N/A HIS 118.A ND1 PHE 114.A O no hydrogen 2.586 N/A ARG 119.A N HIS 116.A O no hydrogen 3.201 N/A ARG 119.A NH1 GLU 54.A OE1 no hydrogen 3.249 N/A ARG 119.A NH1 HIS 118.A O no hydrogen 2.836 N/A ARG 119.A NH2 GLU 54.A OE1 no hydrogen 3.346 N/A VAL 120.A N CYS 115.A O no hydrogen 2.968 N/A LEU 121.A N ARG 147.A O no hydrogen 2.852 N/A HIS 122.A N ASP 182.A OD2 no hydrogen 2.670 N/A HIS 122.A NE2 ALA 141.A O no hydrogen 2.594 N/A ARG 123.A N ASP 182.A OD1 no hydrogen 2.796 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 3.148 N/A ASN 129.A N LYS 126.A O no hydrogen 2.763 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.586 N/A ASN 129.A ND2 ASP 124.A OD2 no hydrogen 3.202 N/A LEU 130.A N PRO 127.A O no hydrogen 3.374 N/A LEU 131.A N LYS 139.A O no hydrogen 2.892 N/A ILE 132.A N GLN 82.A O no hydrogen 3.001 N/A ASN 133.A N ALA 137.A O no hydrogen 3.289 N/A THR 134.A OG1 GLU 135.A OE2 no hydrogen 3.131 N/A GLU 135.A N ASN 133.A OD1 no hydrogen 3.032 N/A ALA 137.A N ASN 133.A OD1 no hydrogen 2.766 N/A ILE 138.A N GLN 107.A OE1 no hydrogen 3.245 N/A LYS 139.A N LEU 131.A O no hydrogen 2.767 N/A LYS 139.A NZ GLU 78.A OE1 no hydrogen 3.135 N/A LYS 139.A NZ GLU 78.A OE2 no hydrogen 2.723 N/A LEU 140.A N ASN 59.A O no hydrogen 2.790 N/A ALA 141.A N ASN 129.A O no hydrogen 2.644 N/A PHE 143.A N GLU 48.A OE2 no hydrogen 3.470 N/A GLY 144.A N ASP 142.A OD1 no hydrogen 3.136 N/A ARG 147.A N LEU 121.A O no hydrogen 2.941 N/A PHE 149.A N ARG 119.A O no hydrogen 2.713 N/A THR 155.A N LYS 175.A O no hydrogen 2.781 N/A THR 155.A OG1 CYS 174.A O no hydrogen 2.795 N/A THR 155.A OG1 LYS 175.A O no hydrogen 2.948 N/A THR 162.A N ASP 124.A OD1 no hydrogen 3.523 N/A TRP 164.A NE1 GLY 202.A O no hydrogen 3.031 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.656 N/A TYR 165.A OH GLU 192.A OE2 no hydrogen 3.118 N/A ARG 166.A N LEU 163.A O no hydrogen 3.449 N/A ARG 166.A NH2 VAL 161.A O no hydrogen 2.825 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.725 N/A LEU 171.A N ALA 167.A O no hydrogen 3.427 N/A LEU 172.A N PRO 168.A O no hydrogen 2.884 N/A GLY 173.A N ILE 170.A O no hydrogen 2.619 N/A CYS 174.A N GLU 169.A O no hydrogen 3.013 N/A CYS 174.A SG GLU 169.A O no hydrogen 3.096 N/A CYS 174.A SG TYR 176.A O no hydrogen 3.378 N/A TYR 177.A N VAL 153.A O no hydrogen 2.880 N/A ALA 180.A N SER 178.A OG no hydrogen 3.331 N/A VAL 181.A N SER 178.A O no hydrogen 3.072 N/A ASP 182.A N THR 179.A O no hydrogen 3.060 N/A ILE 183.A N THR 179.A O no hydrogen 3.376 N/A TRP 184.A N ALA 180.A O no hydrogen 3.045 N/A SER 185.A N VAL 181.A O no hydrogen 3.365 N/A SER 185.A OG TYR 165.A O no hydrogen 2.854 N/A SER 185.A OG VAL 181.A O no hydrogen 3.453 N/A LEU 186.A N ASP 182.A O no hydrogen 3.297 N/A GLY 187.A N ILE 183.A O no hydrogen 2.833 N/A CYS 188.A N TRP 184.A O no hydrogen 3.021 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.246 N/A ILE 189.A N SER 185.A O no hydrogen 3.002 N/A PHE 190.A N LEU 186.A O no hydrogen 2.656 N/A ALA 191.A N GLY 187.A O no hydrogen 2.888 N/A GLU 192.A N CYS 188.A O no hydrogen 3.176 N/A MET 193.A N ILE 189.A O no hydrogen 2.974 N/A VAL 194.A N PHE 190.A O no hydrogen 3.357 N/A THR 195.A N ALA 191.A O no hydrogen 2.797 N/A THR 195.A OG1 ALA 191.A O no hydrogen 2.901 N/A THR 195.A OG1 ARG 197.A O no hydrogen 2.799 N/A ARG 196.A N GLU 192.A O no hydrogen 2.908 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 2.750 N/A ASP 203.A N ASP 207.A OD2 no hydrogen 2.552 N/A ASP 207.A N SER 204.A OG no hydrogen 3.153 N/A GLN 208.A N SER 204.A O no hydrogen 2.936 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.075 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 3.043 N/A LEU 209.A N GLU 205.A O no hydrogen 2.872 N/A PHE 210.A N ILE 206.A O no hydrogen 2.888 N/A ARG 211.A N ASP 207.A O no hydrogen 3.045 N/A ARG 211.A NE ASP 207.A OD1 no hydrogen 3.392 N/A ARG 211.A NE ASP 207.A OD2 no hydrogen 3.351 N/A ILE 212.A N GLN 208.A O no hydrogen 3.285 N/A PHE 213.A N LEU 209.A O no hydrogen 3.035 N/A ARG 214.A N PHE 210.A O no hydrogen 2.841 N/A LEU 216.A N ILE 212.A O no hydrogen 3.070 N/A THR 218.A N TRP 240.A O no hydrogen 2.967 N/A THR 218.A OG1 PRO 238.A O no hydrogen 2.782 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 3.048 N/A TRP 224.A N ASP 220.A O no hydrogen 2.902 N/A GLY 226.A N GLU 221.A OE1 no hydrogen 2.775 N/A VAL 227.A N TRP 224.A O no hydrogen 3.227 N/A THR 228.A N GLU 221.A OE2 no hydrogen 3.145 N/A THR 228.A OG1 GLU 221.A OE2 no hydrogen 3.022 N/A MET 230.A N VAL 227.A O no hydrogen 3.142 N/A ASP 232.A N LEU 172.A O no hydrogen 2.988 N/A TYR 233.A N MET 230.A O no hydrogen 2.993 N/A PHE 237.A N LYS 234.A O no hydrogen 3.297 N/A LYS 239.A NZ TYR 233.A OH no hydrogen 3.314 N/A LYS 239.A NZ PRO 235.A O no hydrogen 3.430 N/A LYS 239.A NZ PHE 237.A O no hydrogen 3.036 N/A TRP 240.A N THR 218.A OG1 no hydrogen 2.935 N/A ARG 242.A NH1 LEU 216.A O no hydrogen 3.414 N/A GLN 243.A N THR 215.A O no hydrogen 2.735 N/A SER 246.A N ASP 244.A OD1 no hydrogen 3.299 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 2.989 N/A LYS 247.A N ASP 244.A O no hydrogen 2.774 N/A VAL 248.A N ASP 244.A O no hydrogen 3.235 N/A VAL 248.A N PHE 245.A O no hydrogen 3.302 N/A VAL 249.A N PHE 245.A O no hydrogen 2.830 N/A LEU 252.A N VAL 249.A O no hydrogen 3.181 N/A GLY 256.A N ASP 253.A OD1 no hydrogen 2.696 N/A ARG 257.A N ASP 253.A O no hydrogen 3.109 N/A SER 258.A N GLU 254.A O no hydrogen 2.724 N/A SER 258.A OG HIS 280.A NE2 no hydrogen 2.969 N/A LEU 259.A N ASP 255.A O no hydrogen 2.703 N/A LEU 260.A N GLY 256.A O no hydrogen 2.835 N/A SER 261.A N ARG 257.A O no hydrogen 2.802 N/A SER 261.A OG ARG 257.A O no hydrogen 3.431 N/A SER 261.A OG SER 258.A O no hydrogen 2.892 N/A GLN 262.A N SER 258.A O no hydrogen 3.339 N/A GLN 262.A N LEU 259.A O no hydrogen 3.019 N/A MET 263.A N LEU 259.A O no hydrogen 3.018 N/A LEU 264.A N LEU 260.A O no hydrogen 2.962 N/A TYR 266.A OH GLY 217.A O no hydrogen 2.512 N/A ASN 269.A N ASP 267.A OD1 no hydrogen 2.748 N/A ASN 269.A ND2 ASP 267.A OD1 no hydrogen 3.516 N/A LYS 270.A N ASP 267.A O no hydrogen 3.134 N/A ARG 271.A N ASP 267.A O no hydrogen 2.974 N/A ARG 271.A NE HIS 265.A O no hydrogen 2.780 N/A ARG 271.A NH1 GLU 169.A OE1 no hydrogen 3.184 N/A ARG 271.A NH1 GLU 169.A OE2 no hydrogen 2.728 N/A ARG 271.A NH1 ALA 180.A O no hydrogen 2.794 N/A ARG 271.A NH2 GLU 169.A OE1 no hydrogen 2.597 N/A ARG 271.A NH2 HIS 265.A O no hydrogen 3.337 N/A ARG 271.A NH2 TYR 266.A O no hydrogen 2.945 N/A ILE 272.A N GLN 262.A O no hydrogen 3.174 N/A ALA 276.A N SER 273.A OG no hydrogen 3.127 N/A ALA 277.A N SER 273.A O no hydrogen 3.174 N/A LEU 278.A N ALA 274.A O no hydrogen 3.379 N/A ALA 279.A N ALA 276.A O no hydrogen 2.903 N/A HIS 280.A N ALA 277.A O no hydrogen 2.981 N/A HIS 280.A NE2 SER 258.A OG no hydrogen 2.969 N/A PHE 282.A N HIS 280.A ND1 no hydrogen 3.162 N/A PHE 283.A N HIS 280.A O no hydrogen 3.139 N/A GLN 284.A N PRO 281.A O no hydrogen 2.807 N/A GLN 284.A NE2 PRO 281.A O no hydrogen 3.410 N/A VAL 286.A N PHE 283.A O no hydrogen 3.116 N/A LYS 288.A NZ GLU 135.A O no hydrogen 3.411 N/A