Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wsh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N SER 110.A OG no hydrogen 2.798 N/A SER 7.A OG GLU 11.A OE1 no hydrogen 2.500 N/A VAL 10.A N SER 7.A O no hydrogen 2.957 N/A GLU 11.A N SER 7.A O no hydrogen 2.959 N/A GLY 12.A N GLY 8.A O no hydrogen 3.385 N/A CYS 13.A N VAL 10.A O no hydrogen 2.864 N/A CYS 13.A SG LYS 9.A O no hydrogen 3.589 N/A MET 14.A N GLU 11.A O no hydrogen 3.302 N/A VAL 15.A N GLY 26.A O no hydrogen 2.981 N/A GLN 16.A N GLN 66.A O no hydrogen 2.885 N/A VAL 17.A N LEU 24.A O no hydrogen 2.868 N/A THR 18.A N LEU 64.A O no hydrogen 2.822 N/A THR 18.A OG1 THR 23.A OG1 no hydrogen 2.446 N/A CYS 19.A N THR 22.A O no hydrogen 2.886 N/A CYS 19.A SG ASN 62.A O no hydrogen 3.952 N/A THR 22.A N CYS 19.A O no hydrogen 3.085 N/A THR 22.A OG1 CYS 19.A O no hydrogen 2.735 N/A THR 22.A OG1 VAL 39.A O no hydrogen 2.622 N/A THR 23.A OG1 THR 18.A OG1 no hydrogen 2.446 N/A LEU 24.A N VAL 17.A O no hydrogen 2.890 N/A ASN 25.A N CYS 142.A O no hydrogen 3.017 N/A ASN 25.A ND2 CYS 114.A O no hydrogen 3.094 N/A ASN 25.A ND2 GLY 140.A O no hydrogen 3.380 N/A ASN 25.A ND2 CYS 142.A O no hydrogen 2.975 N/A GLY 26.A N VAL 15.A O no hydrogen 2.845 N/A LEU 27.A N TYR 34.A O no hydrogen 2.813 N/A TRP 28.A N CYS 13.A O no hydrogen 2.727 N/A TRP 28.A NE1 THR 90.A O no hydrogen 3.202 N/A LEU 29.A N VAL 32.A O no hydrogen 2.921 N/A ASP 30.A N THR 95.A OG1 no hydrogen 2.881 N/A VAL 32.A N LEU 29.A O no hydrogen 3.139 N/A VAL 33.A N LEU 86.A O no hydrogen 2.831 N/A TYR 34.A N LEU 27.A O no hydrogen 2.812 N/A CYS 35.A N LEU 84.A O no hydrogen 3.072 N/A CYS 35.A SG PRO 36.A O no hydrogen 3.748 N/A ARG 37.A N CYS 82.A O no hydrogen 3.026 N/A ARG 37.A NE ASP 184.A OD2 no hydrogen 2.762 N/A ARG 37.A NH2 ASP 184.A OD1 no hydrogen 3.089 N/A HIS 38.A NE2 HIS 161.A O no hydrogen 3.040 N/A VAL 39.A N PRO 36.A O no hydrogen 3.160 N/A ILE 40.A N ARG 37.A O no hydrogen 3.176 N/A CYS 41.A N HIS 38.A O no hydrogen 3.037 N/A CYS 41.A SG TYR 51.A OH no hydrogen 3.817 N/A THR 42.A N ASP 45.A OD2 no hydrogen 2.926 N/A ASP 45.A N THR 42.A OG1 no hydrogen 3.174 N/A MET 46.A N SER 43.A O no hydrogen 3.317 N/A LEU 47.A N GLU 44.A O no hydrogen 3.299 N/A ASN 48.A N ASP 45.A O no hydrogen 3.261 N/A TYR 51.A OH ASP 184.A O no hydrogen 2.732 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.727 N/A ASP 53.A N ASN 50.A OD1 no hydrogen 3.083 N/A LEU 54.A N ASN 50.A O no hydrogen 2.916 N/A LEU 55.A N TYR 51.A O no hydrogen 2.883 N/A ILE 56.A N GLU 52.A O no hydrogen 3.111 N/A ARG 57.A NE ASP 53.A OD2 no hydrogen 3.157 N/A ARG 57.A NH2 ASP 53.A OD1 no hydrogen 3.129 N/A ARG 57.A NH2 ASP 53.A OD2 no hydrogen 3.306 N/A LYS 58.A N LEU 55.A O no hydrogen 3.046 N/A SER 59.A N ASN 62.A OD1 no hydrogen 2.684 N/A ASN 62.A N SER 59.A O no hydrogen 2.816 N/A PHE 63.A N ASN 60.A O no hydrogen 3.045 N/A LEU 64.A N THR 18.A O no hydrogen 2.949 N/A GLN 66.A N GLN 16.A O no hydrogen 2.934 N/A ALA 67.A N VAL 70.A O no hydrogen 2.868 N/A VAL 70.A N ALA 67.A O no hydrogen 3.223 N/A LEU 72.A N VAL 65.A O no hydrogen 2.799 N/A ARG 73.A NE ASP 89.A OD2 no hydrogen 3.387 N/A ILE 75.A N LYS 87.A O no hydrogen 2.728 N/A HIS 77.A ND1 ASN 60.A OD1 no hydrogen 3.079 N/A SER 78.A N LYS 85.A O no hydrogen 2.970 N/A GLN 80.A N VAL 83.A O no hydrogen 2.878 N/A ASN 81.A ND2 GLU 175.A O no hydrogen 2.773 N/A CYS 82.A N GLY 176.A O no hydrogen 2.897 N/A CYS 82.A SG ASP 184.A OD1 no hydrogen 3.747 N/A CYS 82.A SG ASP 184.A OD2 no hydrogen 3.752 N/A VAL 83.A N GLN 80.A O no hydrogen 3.027 N/A LEU 84.A N CYS 35.A O no hydrogen 2.800 N/A LYS 85.A N SER 78.A O no hydrogen 2.781 N/A LYS 85.A NZ GLN 80.A OE1 no hydrogen 3.028 N/A LEU 86.A N VAL 33.A O no hydrogen 2.823 N/A LYS 87.A N GLY 76.A O no hydrogen 2.644 N/A VAL 88.A N ASP 31.A O no hydrogen 2.906 N/A ASP 89.A N ARG 73.A O no hydrogen 3.023 N/A THR 90.A OG1 ASP 89.A OD1 no hydrogen 3.136 N/A ASN 92.A N ASP 30.A O no hydrogen 2.802 N/A ASN 92.A ND2 GLY 12.A O no hydrogen 3.099 N/A ASN 92.A ND2 TRP 28.A O no hydrogen 2.897 N/A LYS 94.A N ASN 92.A OD1 no hydrogen 2.989 N/A THR 95.A N ASN 92.A O no hydrogen 3.120 N/A THR 95.A OG1 ASN 92.A O no hydrogen 2.799 N/A TYR 98.A OH ASP 30.A OD2 no hydrogen 3.044 N/A LYS 99.A N VAL 154.A O no hydrogen 2.944 N/A VAL 101.A N PHE 156.A O no hydrogen 3.035 N/A ARG 102.A NH1 ASP 173.A OD2 no hydrogen 2.955 N/A ARG 102.A NH1 ASN 177.A O no hydrogen 3.004 N/A ARG 102.A NH1 PHE 178.A O no hydrogen 3.569 N/A ARG 102.A NH2 PHE 178.A O no hydrogen 2.898 N/A ILE 103.A N TYR 179.A OH no hydrogen 3.019 N/A GLY 106.A N MET 127.A O no hydrogen 2.793 N/A GLN 107.A N GLN 104.A O no hydrogen 3.109 N/A THR 108.A N GLN 107.A OE1 no hydrogen 2.959 N/A THR 108.A OG1 ASP 292.A OD2 no hydrogen 2.719 N/A PHE 109.A N CYS 125.A O no hydrogen 2.960 N/A SER 110.A N PHE 147.A O no hydrogen 2.959 N/A SER 110.A OG GLN 124.A OE1 no hydrogen 2.600 N/A VAL 111.A N TYR 123.A O no hydrogen 2.734 N/A LEU 112.A N VAL 145.A O no hydrogen 3.222 N/A ALA 113.A N GLY 121.A O no hydrogen 2.796 N/A CYS 114.A N SER 144.A OG no hydrogen 3.023 N/A CYS 114.A SG LEU 112.A O no hydrogen 3.560 N/A TYR 115.A N SER 118.A O no hydrogen 2.991 N/A GLY 117.A N ASN 25.A OD1 no hydrogen 2.621 N/A SER 118.A N TYR 115.A O no hydrogen 2.915 N/A SER 120.A N ALA 113.A O no hydrogen 2.751 N/A GLY 121.A N ALA 113.A O no hydrogen 3.285 N/A TYR 123.A N VAL 111.A O no hydrogen 2.953 N/A CYS 125.A N PHE 109.A O no hydrogen 2.840 N/A CYS 125.A SG PHE 109.A O no hydrogen 3.779 N/A MET 127.A N GLN 107.A O no hydrogen 2.970 N/A ARG 128.A N THR 132.A O no hydrogen 2.944 N/A ARG 128.A NE ASP 194.A OD2 no hydrogen 2.874 N/A ARG 128.A NH1 ASP 286.A OD1 no hydrogen 2.991 N/A ARG 128.A NH1 ASP 286.A OD2 no hydrogen 3.397 N/A ARG 128.A NH1 GLU 287.A OE2 no hydrogen 2.973 N/A ARG 128.A NH2 ASP 194.A OD2 no hydrogen 3.465 N/A ARG 128.A NH2 THR 195.A O no hydrogen 3.022 N/A ARG 128.A NH2 ASP 286.A OD2 no hydrogen 2.751 N/A ASN 130.A ND2 GLY 192.A O no hydrogen 2.958 N/A PHE 131.A N ARG 128.A O no hydrogen 2.824 N/A THR 132.A N ASN 130.A OD1 no hydrogen 3.221 N/A THR 132.A OG1 ASN 130.A OD1 no hydrogen 2.686 N/A ILE 133.A N HIS 169.A O no hydrogen 2.891 N/A GLY 135.A N HIS 169.A ND1 no hydrogen 3.142 N/A SER 141.A N LEU 138.A O no hydrogen 2.934 N/A SER 141.A OG LEU 138.A O no hydrogen 3.135 N/A SER 141.A OG HIS 160.A ND1 no hydrogen 3.400 N/A CYS 142.A SG HIS 38.A NE2 no hydrogen 3.964 N/A CYS 142.A SG HIS 161.A O no hydrogen 3.334 N/A GLY 143.A N HIS 160.A O no hydrogen 2.826 N/A SER 144.A N SER 141.A O no hydrogen 3.047 N/A SER 144.A OG LEU 112.A O no hydrogen 3.527 N/A SER 144.A OG SER 141.A O no hydrogen 2.889 N/A GLY 146.A N TYR 158.A O no hydrogen 2.809 N/A PHE 147.A N SER 110.A O no hydrogen 2.864 N/A ASN 148.A N SER 155.A O no hydrogen 2.964 N/A ASN 148.A ND2 THR 108.A O no hydrogen 3.058 N/A ASP 150.A N CYS 153.A O no hydrogen 2.983 N/A CYS 153.A N ASP 150.A O no hydrogen 2.971 N/A VAL 154.A N LYS 97.A O no hydrogen 2.834 N/A SER 155.A N ASN 148.A O no hydrogen 2.803 N/A SER 155.A OG ASN 148.A O no hydrogen 3.287 N/A PHE 156.A N LYS 99.A O no hydrogen 2.942 N/A CYS 157.A N GLY 146.A O no hydrogen 2.986 N/A TYR 158.A N GLY 146.A O no hydrogen 3.425 N/A MET 159.A N THR 172.A O no hydrogen 2.792 N/A HIS 160.A N SER 144.A O no hydrogen 2.871 N/A HIS 160.A NE2 MET 162.A O no hydrogen 3.158 N/A HIS 161.A N ALA 170.A O no hydrogen 3.074 N/A MET 162.A N ALA 170.A O no hydrogen 3.004 N/A LEU 164.A N VAL 168.A O no hydrogen 2.750 N/A GLY 167.A N LEU 164.A O no hydrogen 2.927 N/A HIS 169.A N ILE 133.A O no hydrogen 2.885 N/A ALA 170.A N MET 162.A O no hydrogen 2.959 N/A THR 172.A N MET 159.A O no hydrogen 3.022 N/A THR 172.A OG1 HIS 161.A NE2 no hydrogen 3.078 N/A THR 172.A OG1 ASP 173.A O no hydrogen 2.726 N/A ASP 173.A N ASN 177.A O no hydrogen 2.968 N/A GLY 176.A N ASP 173.A O no hydrogen 2.985 N/A ASN 177.A N ASP 173.A OD1 no hydrogen 2.925 N/A TYR 179.A N GLY 171.A O no hydrogen 2.832 N/A TYR 179.A OH CYS 157.A O no hydrogen 2.582 N/A VAL 183.A N GLN 189.A OE1 no hydrogen 3.024 N/A ARG 185.A NE LEU 47.A O no hydrogen 2.851 N/A ARG 185.A NH2 ASN 48.A OD1 no hydrogen 2.875 N/A GLN 186.A N MET 46.A O no hydrogen 2.773 N/A GLN 189.A N THR 187.A OG1 no hydrogen 3.212 N/A GLN 189.A NE2 VAL 183.A O no hydrogen 3.016 N/A THR 195.A OG1 GLU 237.A OE1 no hydrogen 2.723 N/A THR 196.A N ASN 235.A O no hydrogen 2.870 N/A ILE 197.A N ASP 286.A OD2 no hydrogen 2.853 N/A THR 198.A OG1 THR 196.A O no hydrogen 3.561 N/A THR 198.A OG1 GLU 237.A O no hydrogen 2.559 N/A ASN 200.A ND2 GLY 106.A O no hydrogen 3.026 N/A ASN 200.A ND2 ASP 286.A O no hydrogen 2.899 N/A VAL 201.A N ILE 197.A O no hydrogen 3.179 N/A LEU 202.A N THR 198.A O no hydrogen 3.019 N/A ALA 203.A N VAL 199.A O no hydrogen 2.932 N/A TRP 204.A N ASN 200.A O no hydrogen 2.998 N/A LEU 205.A N VAL 201.A O no hydrogen 2.889 N/A TYR 206.A N LEU 202.A O no hydrogen 3.038 N/A TYR 206.A OH ILE 256.A O no hydrogen 2.840 N/A ALA 207.A N ALA 203.A O no hydrogen 2.988 N/A ALA 208.A N TRP 204.A O no hydrogen 2.920 N/A VAL 209.A N LEU 205.A O no hydrogen 3.008 N/A ILE 210.A N TYR 206.A O no hydrogen 2.872 N/A ASN 211.A N ALA 207.A O no hydrogen 2.780 N/A GLY 212.A N VAL 209.A O no hydrogen 2.906 N/A ASP 213.A N ALA 208.A O no hydrogen 2.873 N/A TRP 215.A NE1 THR 277.A O no hydrogen 3.172 N/A LEU 217.A N ARG 214.A O no hydrogen 3.117 N/A ASN 218.A ND2 GLU 267.A OE1 no hydrogen 3.121 N/A PHE 220.A N ASN 218.A OD1 no hydrogen 3.034 N/A THR 221.A OG1 ASP 260.A OD1 no hydrogen 2.722 N/A THR 222.A OG1 THR 223.A O no hydrogen 3.007 N/A ASP 226.A N THR 223.A OG1 no hydrogen 2.962 N/A PHE 227.A N THR 223.A O no hydrogen 2.999 N/A ASN 228.A N LEU 224.A O no hydrogen 3.001 N/A ASN 228.A ND2 LEU 239.A O no hydrogen 3.082 N/A LEU 229.A N ASN 225.A O no hydrogen 2.957 N/A VAL 230.A N ASP 226.A O no hydrogen 3.156 N/A ALA 231.A N PHE 227.A O no hydrogen 2.792 N/A MET 232.A N ASN 228.A O no hydrogen 3.052 N/A LYS 233.A N VAL 230.A O no hydrogen 2.976 N/A TYR 234.A N ALA 231.A O no hydrogen 2.822 N/A ASN 235.A N MET 232.A O no hydrogen 3.150 N/A TYR 236.A N ALA 231.A O no hydrogen 3.211 N/A GLU 237.A N THR 196.A O no hydrogen 2.924 N/A LEU 239.A N ASN 228.A OD1 no hydrogen 2.776 N/A THR 240.A N HIS 243.A ND1 no hydrogen 3.193 N/A GLN 241.A NE2 ASP 245.A OD1 no hydrogen 3.018 N/A HIS 243.A N THR 240.A OG1 no hydrogen 3.228 N/A VAL 244.A N THR 240.A O no hydrogen 2.986 N/A ASP 245.A N GLN 241.A O no hydrogen 2.882 N/A ILE 246.A N ASP 242.A O no hydrogen 2.840 N/A LEU 247.A N HIS 243.A O no hydrogen 3.132 N/A GLY 248.A N ASP 245.A O no hydrogen 3.045 N/A SER 251.A N LEU 247.A O no hydrogen 2.895 N/A SER 251.A OG ILE 256.A O no hydrogen 2.627 N/A ALA 252.A N GLY 248.A O no hydrogen 2.963 N/A GLN 253.A N PRO 249.A O no hydrogen 2.889 N/A THR 254.A N LEU 250.A O no hydrogen 3.158 N/A THR 254.A OG1 LEU 250.A O no hydrogen 2.946 N/A MET 261.A N ALA 257.A O no hydrogen 3.038 N/A CYS 262.A N VAL 258.A O no hydrogen 2.840 N/A CYS 262.A SG VAL 258.A O no hydrogen 3.433 N/A ALA 263.A N LEU 259.A O no hydrogen 2.974 N/A SER 264.A N ASP 260.A O no hydrogen 3.081 N/A SER 264.A OG PHE 216.A O no hydrogen 3.445 N/A SER 264.A OG ASP 260.A O no hydrogen 3.556 N/A LEU 265.A N MET 261.A O no hydrogen 2.838 N/A LYS 266.A N CYS 262.A O no hydrogen 2.900 N/A LYS 266.A NZ THR 222.A OG1 no hydrogen 2.769 N/A GLU 267.A N ALA 263.A O no hydrogen 3.159 N/A LEU 268.A N SER 264.A O no hydrogen 2.903 N/A LEU 269.A N LEU 265.A O no hydrogen 2.880 N/A GLN 270.A N LYS 266.A O no hydrogen 3.104 N/A GLN 270.A NE2 ASN 271.A OD1 no hydrogen 3.083 N/A ASN 271.A N GLU 267.A O no hydrogen 2.802 N/A GLY 272.A N LEU 268.A O no hydrogen 2.741 N/A ARG 276.A N MET 273.A O no hydrogen 3.061 N/A ILE 278.A N SER 281.A O no hydrogen 2.967 N/A SER 281.A N ILE 278.A O no hydrogen 3.032 N/A SER 281.A OG LEU 283.A O no hydrogen 2.988 N/A LEU 283.A N SER 281.A OG no hydrogen 3.018 N/A THR 289.A N ASP 292.A OD2 no hydrogen 3.245 N/A ASP 292.A N THR 289.A OG1 no hydrogen 2.792 N/A VAL 293.A N THR 289.A O no hydrogen 2.973 N/A VAL 294.A N PRO 290.A O no hydrogen 3.341 N/A