Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3edw_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 224.A O no hydrogen 2.516 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 3.202 N/A LEU 6.A N HIS 3.A O no hydrogen 3.165 N/A GLN 7.A N GLY 4.A O no hydrogen 2.990 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 3.076 N/A GLN 7.A NE2 ARG 39.A O no hydrogen 2.484 N/A TYR 8.A OH MET 169.A O no hydrogen 2.748 N/A LEU 9.A N GLU 5.A O no hydrogen 3.159 N/A GLY 10.A N LEU 6.A O no hydrogen 2.849 N/A GLN 11.A N GLN 7.A O no hydrogen 2.967 N/A ILE 12.A N TYR 8.A O no hydrogen 2.859 N/A GLN 13.A N LEU 9.A O no hydrogen 2.871 N/A HIS 14.A N GLY 10.A O no hydrogen 3.007 N/A ILE 15.A N GLN 11.A O no hydrogen 2.865 N/A LEU 16.A N ILE 12.A O no hydrogen 2.969 N/A ARG 17.A N GLN 13.A O no hydrogen 2.927 N/A CYS 18.A N HIS 14.A O no hydrogen 2.638 N/A GLY 19.A N ILE 15.A O no hydrogen 2.652 N/A VAL 20.A N SER 32.A O no hydrogen 3.043 N/A LYS 22.A N THR 30.A O no hydrogen 3.127 N/A LYS 22.A NZ ASP 204.A OD2 no hydrogen 2.604 N/A ASP 24.A N THR 28.A O no hydrogen 2.879 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.931 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 2.750 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.386 N/A THR 26.A OG1 THR 28.A OG1 no hydrogen 2.668 N/A GLY 27.A N ASP 24.A O no hydrogen 2.948 N/A THR 28.A N ASP 24.A OD1 no hydrogen 3.062 N/A THR 28.A OG1 THR 26.A OG1 no hydrogen 2.668 N/A THR 30.A N LYS 22.A O no hydrogen 3.006 N/A THR 30.A OG1 LYS 22.A O no hydrogen 2.665 N/A LEU 31.A N ILE 207.A O no hydrogen 2.644 N/A SER 32.A N VAL 20.A O no hydrogen 2.981 N/A SER 32.A OG ASP 204.A OD1 no hydrogen 2.703 N/A VAL 33.A N ALA 205.A O no hydrogen 2.919 N/A GLY 35.A N GLY 203.A O no hydrogen 2.797 N/A MET 36.A N LEU 202.A O no hydrogen 3.228 N/A GLN 37.A NE2 THR 201.A OG1 no hydrogen 3.082 N/A ALA 38.A N HIS 200.A O no hydrogen 2.995 N/A ARG 39.A N GLN 7.A OE1 no hydrogen 2.987 N/A ARG 39.A NH2 ASP 197.A OD1 no hydrogen 3.227 N/A TYR 40.A N PHE 198.A O no hydrogen 2.828 N/A LEU 42.A N GLY 196.A O no hydrogen 2.762 N/A ARG 43.A N SER 41.A OG no hydrogen 2.870 N/A ARG 43.A NE GLU 157.A OE1 no hydrogen 3.310 N/A ARG 43.A NE GLU 157.A OE2 no hydrogen 3.355 N/A ARG 43.A NH1 ASP 197.A OD2 no hydrogen 2.864 N/A ARG 43.A NH2 GLU 157.A OE1 no hydrogen 3.222 N/A ARG 43.A NH2 ASP 197.A OD1 no hydrogen 3.148 N/A PHE 46.A N PRO 227.A O no hydrogen 2.893 N/A LEU 48.A N PHE 46.A O no hydrogen 2.690 N/A THR 50.A N GLU 5.A OE1 no hydrogen 3.163 N/A THR 50.A N GLU 5.A OE2 no hydrogen 3.016 N/A THR 50.A OG1 GLU 5.A OE2 no hydrogen 2.755 N/A THR 50.A OG1 ARG 224.A O no hydrogen 3.206 N/A THR 51.A N GLU 5.A OE1 no hydrogen 2.918 N/A THR 51.A OG1 GLU 5.A OE1 no hydrogen 2.834 N/A LYS 52.A NZ GLY 170.A O no hydrogen 2.713 N/A VAL 54.A N TYR 251.A OH no hydrogen 2.907 N/A TRP 56.A N VAL 54.A O no hydrogen 2.840 N/A GLY 58.A N PHE 55.A O no hydrogen 3.098 N/A VAL 59.A N PHE 55.A O no hydrogen 3.024 N/A LEU 60.A N TRP 56.A O no hydrogen 2.981 N/A GLU 61.A N LYS 57.A O no hydrogen 3.174 N/A GLU 62.A N GLY 58.A O no hydrogen 3.000 N/A LEU 63.A N VAL 59.A O no hydrogen 3.153 N/A LEU 64.A N LEU 60.A O no hydrogen 2.975 N/A TRP 65.A N GLU 61.A O no hydrogen 3.165 N/A PHE 66.A N GLU 62.A O no hydrogen 2.936 N/A ILE 67.A N LEU 63.A O no hydrogen 2.827 N/A LYS 68.A N LEU 64.A O no hydrogen 3.092 N/A GLY 69.A N PHE 66.A O no hydrogen 2.841 N/A SER 70.A N TRP 65.A O no hydrogen 3.351 N/A SER 70.A OG GLU 75.A OE2 no hydrogen 2.515 N/A THR 71.A OG1 TYR 97.A OH no hydrogen 2.697 N/A ASN 72.A N SER 70.A OG no hydrogen 3.059 N/A ALA 73.A N GLY 80.A O no hydrogen 2.965 N/A GLU 75.A N ASN 72.A O no hydrogen 2.934 N/A LEU 76.A N ALA 73.A O no hydrogen 3.013 N/A LEU 82.A N THR 71.A O no hydrogen 2.835 N/A GLY 83.A N ASP 81.A OD1 no hydrogen 2.900 N/A PHE 88.A N VAL 85.A O no hydrogen 3.378 N/A GLN 89.A N TYR 86.A O no hydrogen 2.856 N/A GLN 89.A NE2 PRO 84.A O no hydrogen 3.043 N/A ARG 91.A N GLY 87.A O no hydrogen 2.974 N/A ARG 91.A NE ASP 110.A OD1 no hydrogen 2.943 N/A ARG 91.A NE ASP 110.A OD2 no hydrogen 3.369 N/A ARG 91.A NH1 ASP 110.A OD2 no hydrogen 2.812 N/A ARG 91.A NH1 ASP 239.A OD2 no hydrogen 3.463 N/A ARG 91.A NH2 ILE 67.A O no hydrogen 2.643 N/A ARG 91.A NH2 ASP 239.A OD1 no hydrogen 2.469 N/A HIS 92.A N PHE 88.A O no hydrogen 2.629 N/A PHE 93.A N VAL 109.A O no hydrogen 2.892 N/A ALA 95.A N HIS 92.A O no hydrogen 3.436 N/A TYR 97.A OH THR 71.A OG1 no hydrogen 2.697 N/A TYR 97.A OH ASP 81.A OD1 no hydrogen 2.878 N/A TYR 97.A OH ASP 81.A OD2 no hydrogen 3.308 N/A ARG 98.A N TYR 104.A OH no hydrogen 2.902 N/A ARG 98.A NH1 ASP 103.A O no hydrogen 3.556 N/A ASP 99.A N SER 102.A OG no hydrogen 2.950 N/A MET 100.A N ASP 81.A OD2 no hydrogen 3.004 N/A GLU 101.A N ASP 99.A OD1 no hydrogen 3.122 N/A SER 102.A N ASP 99.A O no hydrogen 3.057 N/A SER 102.A OG ASP 99.A O no hydrogen 3.191 N/A SER 102.A OG ASP 99.A OD2 no hydrogen 2.791 N/A TYR 104.A OH ASP 99.A O no hydrogen 2.777 N/A SER 105.A N ASP 103.A OD1 no hydrogen 3.059 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.941 N/A GLN 107.A N TYR 104.A O no hydrogen 2.739 N/A GLN 107.A NE2 ASP 103.A O no hydrogen 3.293 N/A GLN 107.A NE2 SER 105.A O no hydrogen 3.666 N/A VAL 109.A N PHE 93.A O no hydrogen 2.931 N/A GLN 111.A NE2 GLN 89.A O no hydrogen 2.895 N/A LEU 112.A N TRP 90.A O no hydrogen 3.018 N/A GLN 113.A N ASP 110.A OD1 no hydrogen 3.029 N/A GLN 113.A NE2 ASP 117.A OD2 no hydrogen 2.859 N/A ARG 114.A N ASP 110.A O no hydrogen 3.092 N/A VAL 115.A N GLN 111.A O no hydrogen 3.048 N/A ILE 116.A N LEU 112.A O no hydrogen 3.201 N/A ASP 117.A N GLN 113.A O no hydrogen 2.820 N/A THR 118.A N ARG 114.A O no hydrogen 2.911 N/A THR 118.A OG1 ARG 114.A O no hydrogen 2.916 N/A ILE 119.A N VAL 115.A O no hydrogen 3.083 N/A LYS 120.A N ILE 116.A O no hydrogen 3.147 N/A THR 121.A N ASP 117.A O no hydrogen 3.019 N/A THR 121.A N THR 118.A O no hydrogen 3.114 N/A THR 121.A OG1 ASP 117.A O no hydrogen 3.279 N/A ASN 122.A N THR 118.A O no hydrogen 2.806 N/A ASP 125.A N ASN 122.A O no hydrogen 2.999 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 2.809 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 2.976 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 2.976 N/A MET 130.A N CYS 149.A O no hydrogen 2.900 N/A TRP 132.A NE1 PRO 143.A O no hydrogen 2.776 N/A ARG 135.A N ASN 133.A OD1 no hydrogen 3.350 N/A ASP 136.A N ASN 133.A O no hydrogen 2.894 N/A LEU 139.A N ASP 136.A O no hydrogen 3.188 N/A CYS 145.A SG ALA 147.A O no hydrogen 3.442 N/A HIS 146.A N ALA 131.A O no hydrogen 2.653 N/A ALA 147.A N ALA 131.A O no hydrogen 3.259 N/A LEU 148.A N TYR 163.A O no hydrogen 2.875 N/A CYS 149.A N MET 130.A O no hydrogen 3.002 N/A GLN 150.A N GLN 161.A O no hydrogen 2.728 N/A PHE 151.A N ILE 128.A O no hydrogen 2.781 N/A TYR 152.A N SER 159.A O no hydrogen 2.949 N/A VAL 154.A N GLU 157.A O no hydrogen 3.126 N/A SER 156.A OG ASN 155.A O no hydrogen 2.623 N/A GLU 157.A N VAL 154.A O no hydrogen 2.876 N/A LEU 158.A N LYS 194.A O no hydrogen 2.702 N/A SER 159.A N TYR 152.A O no hydrogen 2.903 N/A SER 159.A OG ASP 197.A O no hydrogen 3.518 N/A CYS 160.A N ASP 197.A O no hydrogen 2.938 N/A GLN 161.A N GLN 150.A O no hydrogen 2.791 N/A GLN 161.A NE2 THR 201.A OG1 no hydrogen 2.764 N/A LEU 162.A N ILE 199.A O no hydrogen 2.943 N/A TYR 163.A N LEU 148.A O no hydrogen 2.845 N/A GLN 164.A N THR 201.A O no hydrogen 3.015 N/A GLN 164.A NE2 ASN 176.A OD1 no hydrogen 3.490 N/A ARG 165.A N HIS 146.A O no hydrogen 2.980 N/A ARG 165.A NH1 ASP 136.A OD2 no hydrogen 2.865 N/A ARG 165.A NH2 ASP 136.A OD2 no hydrogen 3.399 N/A ARG 165.A NH2 CYS 145.A O no hydrogen 2.995 N/A GLY 167.A N ASP 204.A O no hydrogen 2.811 N/A MET 169.A N HIS 206.A O no hydrogen 2.686 N/A GLY 170.A N ASP 168.A OD2 no hydrogen 3.272 N/A LEU 171.A N ASP 168.A OD2 no hydrogen 3.397 N/A VAL 173.A N ASP 168.A O no hydrogen 3.019 N/A PHE 175.A N GLY 172.A O no hydrogen 2.879 N/A ASN 176.A N GLY 172.A O no hydrogen 2.790 N/A ILE 177.A N VAL 173.A O no hydrogen 2.971 N/A ALA 178.A N PRO 174.A O no hydrogen 3.288 N/A SER 179.A N PHE 175.A O no hydrogen 3.008 N/A SER 179.A N ASN 176.A O no hydrogen 3.016 N/A TYR 180.A N ASN 176.A O no hydrogen 2.869 N/A ALA 181.A N ILE 177.A O no hydrogen 3.175 N/A LEU 182.A N ALA 178.A O no hydrogen 2.981 N/A LEU 183.A N SER 179.A O no hydrogen 2.966 N/A THR 184.A N TYR 180.A O no hydrogen 3.025 N/A THR 184.A OG1 TYR 180.A O no hydrogen 3.042 N/A TYR 185.A N ALA 181.A O no hydrogen 3.120 N/A TYR 185.A OH LEU 42.A O no hydrogen 2.869 N/A TYR 185.A OH GLU 45.A O no hydrogen 2.876 N/A MET 186.A N LEU 182.A O no hydrogen 2.965 N/A ILE 187.A N LEU 183.A O no hydrogen 2.995 N/A ALA 188.A N THR 184.A O no hydrogen 2.890 N/A HIS 189.A N TYR 185.A O no hydrogen 3.024 N/A ILE 190.A N MET 186.A O no hydrogen 3.057 N/A THR 191.A N ILE 187.A O no hydrogen 3.057 N/A THR 191.A N ALA 188.A O no hydrogen 3.298 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.937 N/A THR 191.A OG1 ALA 188.A O no hydrogen 3.504 N/A GLY 192.A N HIS 189.A O no hydrogen 3.452 N/A LEU 193.A N ALA 188.A O no hydrogen 3.009 N/A LYS 194.A N SER 156.A O no hydrogen 2.939 N/A GLY 196.A N LEU 158.A O no hydrogen 2.605 N/A ASP 197.A N SER 159.A OG no hydrogen 3.012 N/A PHE 198.A N TYR 40.A O no hydrogen 2.898 N/A ILE 199.A N CYS 160.A O no hydrogen 2.901 N/A HIS 200.A N ALA 38.A O no hydrogen 2.892 N/A HIS 200.A NE2 GLN 164.A OE1 no hydrogen 2.653 N/A THR 201.A N LEU 162.A O no hydrogen 3.051 N/A LEU 202.A N MET 36.A O no hydrogen 2.977 N/A GLY 203.A N GLN 164.A O no hydrogen 2.958 N/A ASP 204.A N ARG 165.A O no hydrogen 2.976 N/A ALA 205.A N VAL 33.A O no hydrogen 2.964 N/A HIS 206.A N GLY 167.A O no hydrogen 2.854 N/A HIS 206.A ND1 ASP 204.A O no hydrogen 3.059 N/A ILE 207.A N LEU 31.A O no hydrogen 2.678 N/A TYR 208.A OH ASP 24.A OD2 no hydrogen 2.744 N/A LEU 209.A N GLY 29.A O no hydrogen 3.222 N/A HIS 211.A N TYR 208.A O no hydrogen 2.735 N/A ILE 212.A N LEU 209.A O no hydrogen 3.268 N/A LEU 215.A N HIS 211.A O no hydrogen 2.903 N/A LYS 216.A N ILE 212.A O no hydrogen 2.920 N/A ILE 217.A N GLU 213.A O no hydrogen 3.413 N/A GLN 218.A N PRO 214.A O no hydrogen 2.939 N/A GLN 218.A NE2 THR 51.A OG1 no hydrogen 2.650 N/A LEU 219.A N LEU 215.A O no hydrogen 2.990 N/A GLN 220.A N ILE 217.A O no hydrogen 3.066 N/A GLN 220.A NE2 LYS 216.A O no hydrogen 2.863 N/A ARG 221.A N GLN 218.A O no hydrogen 2.915 N/A ARG 221.A NH2 THR 51.A O no hydrogen 2.825 N/A ARG 221.A NH2 PRO 255.A O no hydrogen 2.823 N/A ARG 224.A N THR 50.A OG1 no hydrogen 2.932 N/A ARG 224.A NE ASN 252.A O no hydrogen 2.948 N/A ARG 224.A NH1 ASN 252.A O no hydrogen 3.068 N/A LYS 228.A N GLU 249.A O no hydrogen 2.823 N/A ARG 230.A N GLN 247.A O no hydrogen 2.987 N/A LEU 232.A N ASP 245.A O no hydrogen 2.705 N/A ARG 233.A NE ASP 245.A OD2 no hydrogen 3.121 N/A ARG 233.A NH2 ASP 240.A O no hydrogen 3.042 N/A ARG 233.A NH2 ASP 245.A OD1 no hydrogen 2.864 N/A ASP 240.A N LYS 237.A O no hydrogen 2.925 N/A PHE 241.A N ILE 238.A O no hydrogen 3.484 N/A LYS 242.A N ASP 245.A OD1 no hydrogen 2.736 N/A LYS 242.A NZ ASP 245.A OD2 no hydrogen 3.358 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 1.906 N/A ASP 245.A N LYS 242.A O no hydrogen 2.846 N/A PHE 246.A N ALA 243.A O no hydrogen 3.332 N/A GLN 247.A N ARG 230.A O no hydrogen 2.911 N/A GLU 249.A N LYS 228.A O no hydrogen 2.826 N/A TYR 251.A OH LEU 49.A O no hydrogen 2.791 N/A HIS 254.A N THR 50.A O no hydrogen 2.703 N/A HIS 254.A NE2 GLU 222.A O no hydrogen 2.763 N/A