Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4l53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ALA 70.A O no hydrogen 2.887 N/A TYR 8.A OH GLN 39.A OE1 no hydrogen 2.839 N/A GLU 10.A N ASP 7.A O no hydrogen 3.156 N/A ILE 11.A N TYR 8.A O no hydrogen 2.938 N/A GLU 12.A N LYS 29.A O no hydrogen 3.065 N/A GLU 14.A N LYS 27.A O no hydrogen 2.949 N/A VAL 17.A N VAL 25.A O no hydrogen 3.039 N/A ARG 19.A NH1 GLU 41.A OE1 no hydrogen 2.741 N/A ALA 21.A N ASP 150.A OD2 no hydrogen 3.257 N/A VAL 24.A N GLN 39.A O no hydrogen 3.220 N/A VAL 25.A N GLY 18.A O no hydrogen 2.885 N/A CYS 26.A N ILE 37.A O no hydrogen 2.863 N/A LYS 27.A N GLU 15.A O no hydrogen 2.947 N/A ALA 28.A N VAL 35.A O no hydrogen 2.794 N/A LYS 29.A N GLU 12.A O no hydrogen 2.972 N/A TRP 30.A N LYS 33.A O no hydrogen 3.143 N/A VAL 35.A N ALA 28.A O no hydrogen 3.077 N/A ALA 36.A N MET 79.A O no hydrogen 3.065 N/A ILE 37.A N CYS 26.A O no hydrogen 2.926 N/A LYS 38.A N LEU 77.A O no hydrogen 3.053 N/A LYS 38.A NZ GLU 52.A OE1 no hydrogen 3.005 N/A LYS 38.A NZ GLU 52.A OE2 no hydrogen 3.009 N/A GLN 39.A N VAL 24.A O no hydrogen 3.229 N/A GLU 41.A N GLU 45.A OE2 no hydrogen 3.326 N/A SER 42.A OG SER 44.A OG no hydrogen 2.845 N/A SER 44.A OG SER 42.A OG no hydrogen 2.845 N/A ARG 46.A N GLU 43.A O no hydrogen 3.366 N/A ILE 50.A N ARG 46.A O no hydrogen 3.010 N/A VAL 51.A N LYS 47.A O no hydrogen 3.281 N/A GLU 52.A N ALA 48.A O no hydrogen 3.087 N/A LEU 53.A N PHE 49.A O no hydrogen 3.122 N/A ARG 54.A N ILE 50.A O no hydrogen 2.885 N/A GLN 55.A N VAL 51.A O no hydrogen 3.034 N/A LEU 56.A N GLU 52.A O no hydrogen 2.905 N/A SER 57.A N LEU 53.A O no hydrogen 2.985 N/A SER 57.A OG ARG 54.A O no hydrogen 2.873 N/A ARG 58.A N GLN 55.A O no hydrogen 2.962 N/A VAL 59.A N GLN 55.A O no hydrogen 3.197 N/A ASN 60.A N TYR 118.A OH no hydrogen 3.221 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 3.225 N/A ASN 63.A ND2 GLN 111.A OE1 no hydrogen 3.313 N/A ASN 63.A ND2 LEU 146.A O no hydrogen 2.850 N/A ILE 64.A N HIS 61.A O no hydrogen 3.120 N/A VAL 65.A N ILE 148.A O no hydrogen 3.101 N/A LYS 66.A N GLU 80.A OE2 no hydrogen 2.721 N/A TYR 68.A N VAL 78.A O no hydrogen 2.781 N/A GLY 69.A N VAL 78.A O no hydrogen 3.341 N/A ALA 70.A N HIS 4.A O no hydrogen 2.987 N/A CYS 71.A N CYS 76.A O no hydrogen 2.870 N/A CYS 71.A SG ILE 6.A O no hydrogen 3.226 N/A CYS 76.A N CYS 71.A O no hydrogen 3.208 N/A LEU 77.A N LYS 38.A O no hydrogen 3.329 N/A VAL 78.A N GLY 69.A O no hydrogen 2.780 N/A MET 79.A N ALA 36.A O no hydrogen 2.729 N/A GLU 80.A N LYS 66.A O no hydrogen 3.077 N/A GLY 84.A N LEU 139.A O no hydrogen 3.028 N/A GLY 85.A N ALA 82.A O no hydrogen 3.248 N/A LEU 87.A N LEU 137.A O no hydrogen 2.647 N/A TYR 88.A N PRO 134.A O no hydrogen 3.212 N/A ASN 89.A N SER 86.A OG no hydrogen 3.006 N/A VAL 90.A N SER 86.A O no hydrogen 3.253 N/A LEU 91.A N LEU 87.A O no hydrogen 2.851 N/A HIS 92.A N TYR 88.A O no hydrogen 2.801 N/A HIS 92.A NE2 GLU 185.A OE2 no hydrogen 2.655 N/A GLY 93.A N ASN 89.A O no hydrogen 2.892 N/A TYR 99.A N TYR 264.A O no hydrogen 2.801 N/A TYR 100.A N TYR 281.A OH no hydrogen 3.426 N/A TYR 100.A OH VAL 186.A O no hydrogen 2.588 N/A THR 101.A N HIS 104.A ND1 no hydrogen 3.222 N/A THR 101.A OG1 HIS 104.A ND1 no hydrogen 2.794 N/A HIS 104.A N THR 101.A OG1 no hydrogen 3.328 N/A HIS 104.A NE2 GLU 260.A O no hydrogen 2.580 N/A ALA 105.A N THR 101.A O no hydrogen 3.053 N/A MET 106.A N ALA 102.A O no hydrogen 2.975 N/A SER 107.A N ALA 103.A O no hydrogen 3.003 N/A TRP 108.A N HIS 104.A O no hydrogen 2.890 N/A TRP 108.A NE1 GLY 143.A O no hydrogen 2.787 N/A CYS 109.A N ALA 105.A O no hydrogen 3.192 N/A CYS 109.A SG ALA 105.A O no hydrogen 3.364 N/A LEU 110.A N MET 106.A O no hydrogen 2.878 N/A GLN 111.A N SER 107.A O no hydrogen 2.908 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.217 N/A GLN 111.A NE2 SER 107.A OG no hydrogen 2.813 N/A GLN 111.A NE2 THR 144.A O no hydrogen 2.982 N/A CYS 112.A N TRP 108.A O no hydrogen 3.030 N/A SER 113.A N CYS 109.A O no hydrogen 3.142 N/A SER 113.A OG CYS 109.A O no hydrogen 3.446 N/A SER 113.A OG LEU 110.A O no hydrogen 2.765 N/A GLN 114.A N LEU 110.A O no hydrogen 2.897 N/A GLY 115.A N GLN 111.A O no hydrogen 3.131 N/A VAL 116.A N CYS 112.A O no hydrogen 2.888 N/A ALA 117.A N SER 113.A O no hydrogen 2.876 N/A TYR 118.A N GLN 114.A O no hydrogen 3.251 N/A LEU 119.A N GLY 115.A O no hydrogen 3.214 N/A HIS 120.A N VAL 116.A O no hydrogen 2.855 N/A HIS 120.A NE2 ASP 175.A OD2 no hydrogen 2.830 N/A SER 121.A N ALA 117.A O no hydrogen 3.073 N/A SER 121.A N TYR 118.A O no hydrogen 3.276 N/A SER 121.A OG ALA 117.A O no hydrogen 3.309 N/A SER 121.A OG TYR 118.A O no hydrogen 2.822 N/A MET 122.A N LEU 119.A O no hydrogen 3.275 N/A LEU 127.A N LEU 119.A O no hydrogen 2.937 N/A HIS 129.A N ASP 175.A OD2 no hydrogen 2.982 N/A HIS 129.A NE2 CYS 149.A O no hydrogen 3.113 N/A ARG 130.A N ASP 175.A OD1 no hydrogen 2.952 N/A ARG 130.A NH2 GLY 152.A O no hydrogen 2.960 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.208 N/A LYS 133.A NZ SER 156.A OG no hydrogen 2.710 N/A ASN 136.A N LYS 133.A O no hydrogen 2.832 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.710 N/A LEU 137.A N PRO 134.A O no hydrogen 3.233 N/A LEU 138.A N LYS 147.A O no hydrogen 2.812 N/A LEU 139.A N GLY 85.A O no hydrogen 3.067 N/A VAL 140.A N VAL 145.A O no hydrogen 2.883 N/A ALA 141.A N GLU 83.A OE2 no hydrogen 3.297 N/A GLY 143.A N VAL 140.A O no hydrogen 3.134 N/A THR 144.A N ALA 141.A O no hydrogen 3.214 N/A THR 144.A OG1 ALA 141.A O no hydrogen 2.655 N/A VAL 145.A N VAL 140.A O no hydrogen 3.179 N/A LEU 146.A N GLN 111.A OE1 no hydrogen 2.781 N/A LYS 147.A N LEU 138.A O no hydrogen 2.842 N/A LYS 147.A NZ GLU 80.A OE1 no hydrogen 3.086 N/A LYS 147.A NZ GLU 80.A OE2 no hydrogen 2.727 N/A ILE 148.A N ASN 63.A O no hydrogen 2.996 N/A CYS 149.A N ASN 136.A O no hydrogen 3.060 N/A CYS 149.A SG ASN 136.A O no hydrogen 3.199 N/A THR 153.A OG1 HIS 129.A O no hydrogen 3.420 N/A SER 156.A OG ASP 131.A OD1 no hydrogen 2.925 N/A SER 156.A OG LYS 154.A O no hydrogen 3.202 N/A TRP 159.A N SER 156.A O no hydrogen 3.009 N/A TRP 159.A NE1 GLU 185.A OE1 no hydrogen 2.821 N/A MET 160.A N ALA 157.A O no hydrogen 3.275 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.821 N/A VAL 164.A N ALA 161.A O no hydrogen 2.862 N/A GLU 166.A N PRO 162.A O no hydrogen 3.262 N/A GLY 167.A N VAL 164.A O no hydrogen 3.426 N/A SER 168.A N GLU 163.A O no hydrogen 3.231 N/A SER 168.A OG GLU 166.A OE1 no hydrogen 3.519 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.739 N/A LYS 173.A N SER 171.A OG no hydrogen 3.247 N/A LYS 173.A NZ PRO 235.A O no hydrogen 3.124 N/A LYS 173.A NZ ARG 238.A O no hydrogen 2.670 N/A CYS 174.A N SER 171.A O no hydrogen 3.166 N/A CYS 174.A SG SER 171.A O no hydrogen 3.162 N/A CYS 174.A SG ASP 175.A OD1 no hydrogen 3.888 N/A ASP 175.A N GLU 172.A O no hydrogen 3.089 N/A PHE 177.A N LYS 173.A O no hydrogen 3.326 N/A SER 178.A N CYS 174.A O no hydrogen 3.268 N/A SER 178.A OG TRP 159.A O no hydrogen 2.693 N/A SER 178.A OG CYS 174.A O no hydrogen 3.196 N/A TRP 179.A N ASP 175.A O no hydrogen 2.950 N/A TRP 179.A NE1 CYS 109.A O no hydrogen 2.829 N/A GLY 180.A N VAL 176.A O no hydrogen 2.963 N/A ILE 181.A N PHE 177.A O no hydrogen 3.122 N/A ILE 182.A N SER 178.A O no hydrogen 2.930 N/A LEU 183.A N TRP 179.A O no hydrogen 2.932 N/A TRP 184.A N GLY 180.A O no hydrogen 3.289 N/A TRP 184.A NE1 PRO 214.A O no hydrogen 2.755 N/A GLU 185.A N ILE 181.A O no hydrogen 3.057 N/A VAL 186.A N ILE 182.A O no hydrogen 2.971 N/A ILE 187.A N LEU 183.A O no hydrogen 3.176 N/A THR 188.A N TRP 184.A O no hydrogen 2.952 N/A THR 188.A OG1 TRP 184.A O no hydrogen 2.642 N/A THR 188.A OG1 GLU 185.A O no hydrogen 3.320 N/A ARG 189.A NE LEU 91.A O no hydrogen 2.958 N/A ARG 189.A NH1 PRO 98.A O no hydrogen 2.959 N/A ARG 189.A NH2 VAL 90.A O no hydrogen 2.751 N/A ARG 189.A NH2 PRO 98.A O no hydrogen 2.936 N/A ARG 190.A N THR 188.A OG1 no hydrogen 3.119 N/A ARG 190.A NH2 PRO 271.A O no hydrogen 2.944 N/A GLY 197.A N PHE 193.A O no hydrogen 3.388 N/A ARG 202.A N PRO 199.A O no hydrogen 3.107 N/A ARG 202.A NH1 ILE 196.A O no hydrogen 2.731 N/A ARG 202.A NH1 GLY 197.A O no hydrogen 3.087 N/A MET 204.A N ALA 200.A O no hydrogen 3.173 N/A TRP 205.A N PHE 201.A O no hydrogen 3.000 N/A ALA 206.A N ARG 202.A O no hydrogen 3.160 N/A VAL 207.A N ILE 203.A O no hydrogen 2.872 N/A HIS 208.A N MET 204.A O no hydrogen 3.075 N/A HIS 208.A ND1 GLU 166.A OE2 no hydrogen 3.147 N/A ASN 209.A N TRP 205.A O no hydrogen 2.980 N/A ASN 209.A N ALA 206.A O no hydrogen 2.983 N/A ASN 209.A ND2 TRP 205.A O no hydrogen 3.079 N/A GLY 210.A N VAL 207.A O no hydrogen 3.335 N/A THR 211.A N ALA 206.A O no hydrogen 3.083 N/A THR 211.A OG1 ALA 206.A O no hydrogen 3.128 N/A ARG 212.A NE TRP 231.A O.A no hydrogen 2.697 N/A ARG 212.A NE TRP 231.A O.B no hydrogen 2.804 N/A ARG 212.A NH1 TRP 231.A O.A no hydrogen 3.148 N/A ARG 212.A NH1 TRP 231.A O.B no hydrogen 2.890 N/A ARG 212.A NH2 VAL 207.A O no hydrogen 2.946 N/A ARG 212.A NH2 THR 211.A O no hydrogen 2.846 N/A LYS 217.A N VAL 278.A O no hydrogen 2.722 N/A LEU 219.A N ILE 216.A O no hydrogen 3.284 N/A GLU 224.A N PRO 220.A O no hydrogen 2.983 N/A SER 225.A N LYS 221.A O no hydrogen 2.834 N/A LEU 226.A N PRO 222.A O no hydrogen 3.315 N/A MET 227.A N ILE 223.A O no hydrogen 2.990 N/A THR 228.A N GLU 224.A O no hydrogen 3.107 N/A THR 228.A OG1 GLU 224.A O no hydrogen 2.739 N/A THR 228.A OG1 SER 225.A O no hydrogen 3.488 N/A ARG 229.A N SER 225.A O no hydrogen 3.141 N/A ARG 229.A NH1 GLU 243.A OE2 no hydrogen 2.849 N/A ARG 229.A NH2 GLU 243.A OE2 no hydrogen 2.999 N/A CYS 230.A N LEU 226.A O no hydrogen 3.013 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.300 N/A SER 232.A N ARG 229.A O no hydrogen 3.411 N/A SER 232.A OG ARG 229.A O no hydrogen 2.743 N/A SER 236.A N ASP 234.A OD1 no hydrogen 3.413 N/A SER 236.A OG ASP 234.A OD1 no hydrogen 2.866 N/A GLN 237.A N ASP 234.A O no hydrogen 3.163 N/A ARG 238.A N PRO 235.A O no hydrogen 3.261 N/A ARG 238.A NE SER 232.A O no hydrogen 3.061 N/A ARG 238.A NH1 GLU 163.A OE2 no hydrogen 2.707 N/A ARG 238.A NH1 LYS 173.A O no hydrogen 2.874 N/A ARG 238.A NH2 GLU 163.A OE1 no hydrogen 2.898 N/A ARG 238.A NH2 SER 232.A O no hydrogen 2.991 N/A GLU 243.A N SER 240.A OG no hydrogen 3.126 N/A ILE 244.A N SER 240.A O no hydrogen 3.195 N/A VAL 245.A N MET 241.A O no hydrogen 2.920 N/A LYS 246.A N GLU 242.A O no hydrogen 3.243 N/A ILE 247.A N GLU 243.A O no hydrogen 3.040 N/A MET 248.A N ILE 244.A O no hydrogen 2.905 N/A THR 249.A N VAL 245.A O no hydrogen 2.803 N/A THR 249.A OG1 VAL 245.A O no hydrogen 2.602 N/A HIS 250.A N LYS 246.A O no hydrogen 3.015 N/A LEU 251.A N ILE 247.A O no hydrogen 2.953 N/A MET 252.A N MET 248.A O no hydrogen 3.271 N/A ARG 253.A NE ASP 294.A OD2 no hydrogen 2.715 N/A ARG 253.A NH2 ASP 294.A OD1 no hydrogen 3.160 N/A ARG 253.A NH2 ASP 294.A OD2 no hydrogen 3.338 N/A TYR 254.A N LEU 251.A O no hydrogen 2.880 N/A TYR 254.A OH ASP 294.A OD2 no hydrogen 2.841 N/A PHE 255.A N MET 252.A O no hydrogen 3.081 N/A GLU 260.A N GLY 257.A O no hydrogen 3.274 N/A LEU 262.A N GLY 142.A O no hydrogen 2.822 N/A CYS 266.A SG HIS 268.A ND1 no hydrogen 3.669 N/A CYS 266.A SG TYR 281.A OH no hydrogen 3.250 N/A VAL 278.A N LEU 215.A O no hydrogen 2.935 N/A TYR 281.A N ILE 187.A O no hydrogen 2.742 N/A VAL 282.A N ILE 187.A O no hydrogen 3.340 N/A ALA 285.A N ASP 283.A OD1 no hydrogen 3.139 N/A TYR 288.A N PHE 284.A O no hydrogen 3.021 N/A TYR 288.A OH ASN 218.A O no hydrogen 2.745 N/A ARG 289.A N ALA 285.A O no hydrogen 3.034 N/A ARG 289.A NH1 GLU 286.A OE1 no hydrogen 2.662 N/A LEU 290.A N GLU 286.A O no hydrogen 2.995 N/A TRP 291.A N PHE 287.A O no hydrogen 2.858 N/A SER 292.A N TYR 288.A O no hydrogen 3.128 N/A SER 292.A OG GLY 296.A O no hydrogen 3.060 N/A VAL 293.A N ARG 289.A O no hydrogen 3.209 N/A ASP 294.A N LEU 290.A O no hydrogen 3.349 N/A HIS 295.A N TRP 291.A O no hydrogen 2.951 N/A HIS 295.A ND1 TRP 291.A O no hydrogen 2.844 N/A