Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q5z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N GLY 2.A O no hydrogen 3.032 N/A ARG 7.A N ASP 3.A O no hydrogen 2.829 N/A ARG 7.A NE SER 4.A O no hydrogen 3.434 N/A ARG 7.A NE ASP 8.A OD1 no hydrogen 3.008 N/A ASP 8.A N SER 4.A O no hydrogen 3.099 N/A LEU 9.A N PHE 5.A O no hydrogen 2.987 N/A LEU 10.A N MET 6.A O no hydrogen 2.855 N/A LYS 11.A N ARG 7.A O no hydrogen 3.159 N/A ARG 12.A N ASP 8.A O no hydrogen 3.185 N/A GLU 13.A N LEU 10.A O no hydrogen 2.767 N/A GLU 14.A N LYS 11.A O no hydrogen 3.256 N/A ILE 17.A N GLU 13.A O no hydrogen 3.083 N/A GLY 18.A N GLU 14.A O no hydrogen 3.156 N/A TYR 19.A N GLU 15.A O no hydrogen 3.139 N/A CYS 20.A N LEU 16.A O no hydrogen 2.980 N/A CYS 20.A SG LEU 16.A O no hydrogen 3.503 N/A ARG 21.A N ILE 17.A O no hydrogen 2.702 N/A GLU 22.A N GLY 18.A O no hydrogen 2.966 N/A GLU 23.A N TYR 19.A O no hydrogen 2.975 N/A ALA 24.A N CYS 20.A O no hydrogen 3.106 N/A LEU 25.A N GLU 22.A O no hydrogen 3.084 N/A LYS 26.A N GLU 23.A O no hydrogen 3.129 N/A LYS 26.A NZ GLU 23.A OE2 no hydrogen 2.967 N/A ALA 29.A N LYS 26.A O no hydrogen 3.242 N/A VAL 32.A N PRO 28.A O no hydrogen 2.991 N/A GLU 33.A N ALA 29.A O no hydrogen 2.927 N/A ALA 34.A N ALA 30.A O no hydrogen 3.206 N/A VAL 35.A N MET 31.A O no hydrogen 2.872 N/A THR 36.A N VAL 32.A O no hydrogen 2.872 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.776 N/A ALA 37.A N GLU 33.A O no hydrogen 3.091 N/A THR 38.A N ALA 34.A O no hydrogen 3.237 N/A THR 38.A OG1 ALA 34.A O no hydrogen 2.655 N/A VAL 39.A N VAL 35.A O no hydrogen 3.291 N/A VAL 39.A N THR 36.A O no hydrogen 3.339 N/A TRP 40.A N THR 36.A O no hydrogen 2.856 N/A TRP 40.A NE1 LEU 59.A O no hydrogen 3.175 N/A ASN 43.A ND2 GLN 42.A OE1 no hydrogen 3.322 N/A GLU 45.A N ASN 43.A OD1 no hydrogen 3.050 N/A THR 46.A N LEU 59.A O no hydrogen 3.054 N/A THR 46.A OG1 VAL 39.A O no hydrogen 2.755 N/A VAL 48.A N ARG 57.A O no hydrogen 2.948 N/A ASP 49.A N ALA 122.A O no hydrogen 2.920 N/A SER 50.A N GLY 55.A O no hydrogen 2.817 N/A SER 50.A OG SER 53.A OG no hydrogen 3.403 N/A SER 50.A OG ASP 119.A OD1 no hydrogen 2.491 N/A SER 50.A OG ASP 119.A OD2 no hydrogen 3.428 N/A LEU 51.A N ALA 120.A O no hydrogen 2.761 N/A LEU 52.A N SER 50.A OG no hydrogen 2.968 N/A SER 53.A N SER 50.A OG no hydrogen 2.998 N/A GLN 54.A N SER 50.A O no hydrogen 3.156 N/A GLY 55.A N SER 53.A OG no hydrogen 2.976 N/A ARG 57.A N VAL 48.A O no hydrogen 2.944 N/A ARG 57.A NE ASP 78.A OD2 no hydrogen 3.192 N/A ARG 57.A NH1 ASP 119.A OD2 no hydrogen 2.913 N/A ARG 57.A NH2 ASP 78.A OD2 no hydrogen 2.890 N/A LYS 58.A NZ GLU 80.A OE2 no hydrogen 3.214 N/A LEU 59.A N THR 46.A O no hydrogen 2.985 N/A LYS 60.A N ARG 77.A O no hydrogen 2.835 N/A LEU 61.A N ALA 44.A O no hydrogen 2.844 N/A VAL 62.A N LEU 75.A O no hydrogen 2.892 N/A GLU 63.A N LEU 75.A O no hydrogen 3.262 N/A LEU 65.A N VAL 73.A O no hydrogen 2.790 N/A ARG 66.A N VAL 73.A O no hydrogen 3.274 N/A ARG 66.A NE ASP 146.A OD1 no hydrogen 2.717 N/A ARG 66.A NH2 ASP 146.A OD1 no hydrogen 3.535 N/A ARG 66.A NH2 ASP 146.A OD2 no hydrogen 2.752 N/A ARG 66.A NH2 GLU 148.A OE2.A no hydrogen 2.904 N/A GLY 68.A N SER 71.A O no hydrogen 2.960 N/A ARG 70.A NE ASP 69.A OD1 no hydrogen 3.380 N/A SER 71.A N GLY 68.A O no hydrogen 3.398 N/A SER 71.A OG ASP 69.A O no hydrogen 3.467 N/A VAL 72.A N VAL 89.A O no hydrogen 2.992 N/A VAL 73.A N ARG 66.A O no hydrogen 2.875 N/A PHE 74.A N LEU 87.A O no hydrogen 2.865 N/A LEU 75.A N GLU 63.A O no hydrogen 2.685 N/A VAL 76.A N PHE 85.A O no hydrogen 2.837 N/A ARG 77.A N LYS 60.A O no hydrogen 2.768 N/A ARG 77.A NH1 ASP 84.A OD1 no hydrogen 2.843 N/A ASP 78.A N GLU 83.A O no hydrogen 2.841 N/A VAL 79.A N LYS 58.A O no hydrogen 3.169 N/A GLU 80.A N ASP 78.A OD1 no hydrogen 2.890 N/A ARG 81.A N ASP 78.A OD1 no hydrogen 2.927 N/A PHE 85.A N VAL 76.A O no hydrogen 2.846 N/A ALA 86.A N MET 140.A O no hydrogen 2.784 N/A LEU 87.A N PHE 74.A O no hydrogen 2.741 N/A LYS 88.A N LEU 138.A O no hydrogen 2.774 N/A VAL 89.A N VAL 72.A O no hydrogen 2.847 N/A THR 91.A N ARG 70.A O no hydrogen 2.942 N/A MET 92.A N ALA 132.A O no hydrogen 2.781 N/A LEU 97.A N SER 93.A O no hydrogen 3.052 N/A GLU 98.A N ARG 94.A O no hydrogen 3.058 N/A ARG 99.A N SER 95.A O no hydrogen 3.060 N/A LEU 100.A N GLU 96.A O no hydrogen 2.848 N/A HIS 101.A N LEU 97.A O no hydrogen 2.805 N/A HIS 101.A ND1 TYR 136.A OH no hydrogen 2.875 N/A GLU 102.A N GLU 98.A O no hydrogen 2.988 N/A ALA 103.A N ARG 99.A O no hydrogen 2.954 N/A THR 104.A N LEU 100.A O no hydrogen 2.801 N/A THR 104.A OG1 LEU 100.A O no hydrogen 2.755 N/A PHE 105.A N HIS 101.A O no hydrogen 3.051 N/A ALA 106.A N GLU 102.A O no hydrogen 2.892 N/A ALA 107.A N ALA 103.A O no hydrogen 2.918 N/A ALA 108.A N THR 104.A O no hydrogen 2.982 N/A ARG 109.A N PHE 105.A O no hydrogen 3.056 N/A LEU 110.A N ALA 106.A O no hydrogen 3.100 N/A LEU 111.A N ALA 108.A O no hydrogen 3.166 N/A ARG 113.A NH1 LEU 206.A O no hydrogen 2.958 N/A LEU 115.A N LEU 208.A O no hydrogen 2.826 N/A SER 118.A N LEU 139.A O no hydrogen 2.847 N/A ASP 119.A N LEU 139.A O no hydrogen 3.371 N/A ALA 120.A N ASP 119.A OD1 no hydrogen 2.831 N/A VAL 121.A N LEU 137.A O no hydrogen 2.813 N/A ALA 122.A N ASP 49.A O no hydrogen 2.895 N/A GLN 124.A NE2 ASP 49.A OD1 no hydrogen 3.138 N/A PHE 127.A N ASN 135.A O no hydrogen 2.794 N/A LEU 130.A N VAL 133.A O no hydrogen 2.764 N/A ALA 134.A N PHE 90.A O no hydrogen 2.993 N/A ASN 135.A N ALA 128.A O no hydrogen 2.712 N/A ASN 135.A ND2 VAL 123.A O no hydrogen 3.133 N/A ASN 135.A ND2 PRO 125.A O no hydrogen 3.004 N/A TYR 136.A OH HIS 101.A ND1 no hydrogen 2.875 N/A LEU 137.A N VAL 121.A O no hydrogen 2.860 N/A LEU 138.A N LYS 88.A O no hydrogen 2.910 N/A LEU 139.A N ASP 119.A O no hydrogen 3.021 N/A MET 140.A N ALA 86.A O no hydrogen 2.982 N/A SER 144.A N ILE 200.A O no hydrogen 2.715 N/A VAL 145.A N ILE 200.A O no hydrogen 3.351 N/A LEU 147.A N LEU 198.A O no hydrogen 2.865 N/A GLU 148.A N PRO 195.A O no hydrogen 3.179 N/A LEU 149.A N ASP 146.A OD2 no hydrogen 2.903 N/A LEU 150.A N ASP 146.A O no hydrogen 2.968 N/A PHE 151.A N LEU 147.A O no hydrogen 2.859 N/A SER 152.A N GLU 148.A O no hydrogen 3.011 N/A SER 152.A OG GLU 148.A O no hydrogen 3.342 N/A THR 153.A N LEU 149.A O no hydrogen 2.823 N/A THR 153.A OG1 LEU 149.A O no hydrogen 2.937 N/A LEU 154.A N LEU 150.A O no hydrogen 2.905 N/A ASP 155.A N PHE 151.A O no hydrogen 2.962 N/A PHE 156.A N SER 152.A O no hydrogen 3.240 N/A PHE 156.A N THR 153.A O no hydrogen 2.854 N/A VAL 157.A N THR 153.A O no hydrogen 2.989 N/A GLY 165.A N ARG 161.A O no hydrogen 3.161 N/A GLY 165.A N GLY 162.A O no hydrogen 2.889 N/A ILE 166.A N GLY 162.A O no hydrogen 2.964 N/A LEU 167.A N ASP 163.A O no hydrogen 2.951 N/A ALA 168.A N GLU 164.A O no hydrogen 2.981 N/A LEU 169.A N GLY 165.A O no hydrogen 3.086 N/A HIS 170.A N ILE 166.A O no hydrogen 3.046 N/A HIS 170.A ND1 ILE 166.A O no hydrogen 2.903 N/A ILE 171.A N LEU 167.A O no hydrogen 2.758 N/A LEU 172.A N ALA 168.A O no hydrogen 2.932 N/A THR 173.A N LEU 169.A O no hydrogen 3.223 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.669 N/A ALA 174.A N HIS 170.A O no hydrogen 3.039 N/A GLN 175.A N ILE 171.A O no hydrogen 2.838 N/A GLN 175.A NE2 ASP 3.A OD1 no hydrogen 3.244 N/A GLN 175.A NE2 GLY 204.A O no hydrogen 3.174 N/A LEU 176.A N LEU 172.A O no hydrogen 2.871 N/A ILE 177.A N THR 173.A O no hydrogen 3.126 N/A ARG 178.A N ALA 174.A O no hydrogen 2.803 N/A ARG 178.A NH2 GLN 330.A OE1 no hydrogen 2.808 N/A LEU 179.A N GLN 175.A O no hydrogen 2.963 N/A ALA 180.A N LEU 176.A O no hydrogen 3.050 N/A ALA 181.A N ILE 177.A O no hydrogen 2.895 N/A ASN 182.A N ARG 178.A O no hydrogen 2.814 N/A LEU 183.A N LEU 179.A O no hydrogen 3.135 N/A GLN 184.A N ALA 180.A O no hydrogen 2.980 N/A SER 185.A N ALA 181.A O no hydrogen 2.738 N/A SER 185.A OG ALA 181.A O no hydrogen 3.268 N/A LYS 186.A N ASN 182.A O no hydrogen 3.203 N/A LYS 186.A N LEU 183.A O no hydrogen 3.069 N/A LYS 186.A NZ ASN 182.A OD1 no hydrogen 3.009 N/A GLY 187.A N GLN 184.A O no hydrogen 2.844 N/A LEU 188.A N LEU 183.A O no hydrogen 2.956 N/A VAL 189.A N TRP 215.A O no hydrogen 2.662 N/A HIS 190.A N ASN 245.A OD1 no hydrogen 2.921 N/A HIS 190.A NE2 ASP 210.A O no hydrogen 2.884 N/A HIS 192.A N HIS 190.A ND1 no hydrogen 2.946 N/A HIS 192.A NE2.A ASP 196.A OD1 no hydrogen 2.761 N/A PHE 193.A N GLN 248.A OE1 no hydrogen 3.072 N/A THR 194.A OG1 ASP 196.A OD1 no hydrogen 3.061 N/A ASN 197.A N THR 194.A O no hydrogen 2.849 N/A ASN 197.A ND2 HIS 192.A O no hydrogen 3.070 N/A ASN 197.A ND2 GLY 209.A O no hydrogen 2.968 N/A LEU 198.A N PRO 195.A O no hydrogen 3.237 N/A PHE 199.A N MET 207.A O no hydrogen 2.823 N/A ILE 200.A N VAL 145.A O no hydrogen 2.824 N/A MET 201.A N ARG 205.A O no hydrogen 2.875 N/A GLY 204.A N MET 201.A O no hydrogen 2.797 N/A ARG 205.A N ASP 203.A OD1 no hydrogen 2.945 N/A MET 207.A N PHE 199.A O no hydrogen 2.780 N/A LEU 208.A N ARG 113.A O no hydrogen 2.876 N/A GLY 209.A N ASN 197.A O no hydrogen 2.993 N/A SER 212.A OG ASP 210.A OD1 no hydrogen 2.598 N/A ALA 213.A N ASP 210.A O no hydrogen 2.952 N/A LEU 214.A N VAL 211.A O no hydrogen 3.056 N/A TRP 215.A N VAL 189.A O no hydrogen 2.871 N/A TRP 215.A NE1 SER 212.A O no hydrogen 3.074 N/A VAL 217.A N GLY 187.A O no hydrogen 2.837 N/A GLY 218.A N PHE 240.A O no hydrogen 2.793 N/A THR 219.A N LYS 216.A O no hydrogen 3.096 N/A THR 219.A OG1 LYS 216.A O no hydrogen 2.557 N/A GLY 221.A N ALA 238.A O no hydrogen 2.898 N/A SER 225.A N PRO 222.A O no hydrogen 3.104 N/A SER 225.A OG PRO 222.A O no hydrogen 2.518 N/A VAL 226.A N ALA 223.A O no hydrogen 3.000 N/A TYR 230.A N PRO 227.A O no hydrogen 2.986 N/A ALA 231.A N VAL 228.A O no hydrogen 3.161 N/A ARG 233.A NH1.B LEU 279.A O no hydrogen 2.794 N/A ARG 233.A NH2.B ASP 285.A OD1 no hydrogen 3.512 N/A ARG 233.A NH2.B ASP 285.A OD2 no hydrogen 2.869 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.960 N/A PHE 235.A N PRO 232.A O no hydrogen 2.936 N/A LEU 236.A N ARG 233.A O no hydrogen 2.803 N/A ALA 238.A N GLY 221.A O no hydrogen 2.768 N/A PHE 240.A N THR 219.A O no hydrogen 2.935 N/A LEU 244.A N THR 241.A O no hydrogen 3.075 N/A LEU 244.A N THR 241.A OG1 no hydrogen 3.044 N/A ASN 245.A ND2 HIS 190.A O no hydrogen 2.692 N/A ASN 245.A ND2 GLN 248.A OE1 no hydrogen 3.083 N/A ALA 246.A N HIS 242.A O no hydrogen 2.810 N/A TRP 247.A N ALA 243.A O no hydrogen 3.141 N/A GLN 248.A N LEU 244.A O no hydrogen 2.960 N/A GLN 248.A NE2 GLY 191.A O no hydrogen 2.993 N/A GLN 248.A NE2 TYR 230.A O no hydrogen 3.341 N/A LEU 249.A N ASN 245.A O no hydrogen 2.788 N/A GLY 250.A N ALA 246.A O no hydrogen 2.916 N/A LEU 251.A N TRP 247.A O no hydrogen 3.061 N/A SER 252.A N GLN 248.A O no hydrogen 2.988 N/A ILE 253.A N LEU 249.A O no hydrogen 2.911 N/A TYR 254.A N GLY 250.A O no hydrogen 2.933 N/A TYR 254.A OH ALA 288.A O no hydrogen 2.649 N/A ARG 255.A N LEU 251.A O no hydrogen 3.067 N/A ARG 255.A NE LEU 259.A O no hydrogen 2.727 N/A ARG 255.A NH1 GLU 148.A OE2.B no hydrogen 2.701 N/A ARG 255.A NH1 TYR 230.A OH no hydrogen 2.908 N/A ARG 255.A NH2 LEU 259.A O no hydrogen 3.111 N/A VAL 256.A N SER 252.A O no hydrogen 2.988 N/A TRP 257.A N ILE 253.A O no hydrogen 3.385 N/A TRP 257.A N TYR 254.A O no hydrogen 3.083 N/A TRP 257.A NE1 THR 173.A OG1 no hydrogen 3.018 N/A CYS 258.A N ARG 255.A O no hydrogen 3.380 N/A LEU 259.A N ARG 255.A O no hydrogen 2.823 N/A PHE 260.A N CYS 258.A O no hydrogen 2.858 N/A LEU 261.A N THR 267.A OG1 no hydrogen 2.963 N/A LEU 265.A N PRO 262.A O no hydrogen 3.214 N/A VAL 266.A N ARG 276.A O no hydrogen 2.766 N/A THR 267.A N SER 273.A OG no hydrogen 2.700 N/A THR 267.A OG1 LEU 265.A O no hydrogen 2.960 N/A ILE 270.A N THR 267.A O no hydrogen 3.281 N/A LYS 271.A N ASP 155.A OD2 no hydrogen 2.816 N/A LYS 271.A NZ ASP 155.A O no hydrogen 3.453 N/A SER 273.A N ILE 270.A O no hydrogen 3.225 N/A SER 273.A OG THR 267.A O no hydrogen 3.519 N/A SER 273.A OG TRP 274.A O no hydrogen 2.613 N/A ARG 276.A N GLY 264.A O no hydrogen 2.925 N/A ARG 276.A NE SER 278.A O no hydrogen 3.277 N/A ARG 276.A NE VAL 281.A O no hydrogen 2.919 N/A ARG 276.A NH1 PHE 263.A O no hydrogen 2.972 N/A ARG 276.A NH1 ASP 285.A OD1 no hydrogen 3.006 N/A ARG 276.A NH2 VAL 281.A O no hydrogen 2.974 N/A ARG 276.A NH2 ASP 285.A OD1 no hydrogen 2.908 N/A ARG 280.A N SER 278.A OG no hydrogen 3.050 N/A VAL 281.A N SER 278.A O no hydrogen 3.188 N/A CYS 292.A N PHE 289.A O no hydrogen 2.974 N/A CYS 292.A SG PHE 289.A O no hydrogen 3.360 N/A THR 293.A N TRP 257.A O no hydrogen 2.925 N/A THR 293.A OG1 TYR 158.A OH no hydrogen 3.243 N/A THR 293.A OG1 TRP 257.A O no hydrogen 3.436 N/A VAL 299.A N PRO 296.A O no hydrogen 2.857 N/A LYS 300.A N PRO 296.A O no hydrogen 3.164 N/A THR 301.A N ASP 297.A O no hydrogen 3.032 N/A THR 301.A OG1 ASP 297.A O no hydrogen 3.276 N/A LEU 302.A N PHE 298.A O no hydrogen 3.215 N/A ILE 303.A N VAL 299.A O no hydrogen 2.879 N/A GLY 304.A N LYS 300.A O no hydrogen 3.000 N/A ARG 305.A N THR 301.A O no hydrogen 3.076 N/A PHE 306.A N LEU 302.A O no hydrogen 3.034 N/A LEU 307.A N ILE 303.A O no hydrogen 2.951 N/A ASP 310.A N ASN 308.A OD1 no hydrogen 2.911 N/A ARG 312.A N ASP 310.A OD1 no hydrogen 2.916 N/A ARG 313.A N ASP 310.A O no hydrogen 2.914 N/A ARG 314.A N ARG 311.A O no hydrogen 3.493 N/A ARG 314.A NE ASN 308.A O no hydrogen 2.909 N/A ARG 314.A NH1 GLU 234.A OE2 no hydrogen 2.880 N/A ARG 314.A NH1 ALA 243.A O no hydrogen 2.840 N/A ARG 314.A NH2 GLU 234.A OE1 no hydrogen 3.103 N/A ARG 314.A NH2 GLU 234.A OE2 no hydrogen 3.438 N/A LEU 315.A N ARG 305.A O no hydrogen 3.083 N/A LEU 318.A N GLN 184.A OE1 no hydrogen 2.798 N/A ALA 320.A N LEU 316.A O no hydrogen 2.762 N/A MET 321.A N PRO 317.A O no hydrogen 2.994 N/A MET 321.A N LEU 318.A O no hydrogen 3.159 N/A GLU 322.A N GLU 319.A O no hydrogen 2.976 N/A THR 323.A N ALA 320.A O no hydrogen 3.089 N/A THR 323.A OG1 ALA 320.A O no hydrogen 2.837 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.766 N/A PHE 326.A N THR 323.A O no hydrogen 3.041 N/A PHE 326.A N THR 323.A OG1 no hydrogen 3.365 N/A LEU 327.A N THR 323.A O no hydrogen 3.129 N/A GLN 328.A N PRO 324.A O no hydrogen 2.999 N/A GLN 328.A NE2 GLU 332.A OE2 no hydrogen 3.255 N/A LEU 329.A N GLU 325.A O no hydrogen 3.073 N/A GLN 330.A N PHE 326.A O no hydrogen 2.980 N/A GLN 330.A NE2 SER 334.A OG no hydrogen 3.327 N/A ASN 331.A N LEU 327.A O no hydrogen 2.894 N/A GLU 332.A N GLN 328.A O no hydrogen 2.811 N/A ILE 333.A N LEU 329.A O no hydrogen 3.051 N/A SER 334.A N GLN 330.A O no hydrogen 2.910 N/A SER 334.A OG GLN 330.A O no hydrogen 2.851 N/A SER 335.A N ASN 331.A O no hydrogen 3.034 N/A SER 335.A OG ASN 331.A O no hydrogen 3.087 N/A SER 336.A N GLU 332.A O no hydrogen 3.102 N/A SER 336.A OG GLU 332.A O no hydrogen 3.087 N/A