Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 116.A O no hydrogen 2.808 N/A TYR 5.A N ARG 42.A O no hydrogen 3.005 N/A TYR 5.A OH HIS 29.A ND1 no hydrogen 2.920 N/A ILE 6.A N ILE 118.A O no hydrogen 2.964 N/A TYR 7.A N VAL 44.A O no hydrogen 3.005 N/A SER 8.A OG GLU 10.A OE1 no hydrogen 3.560 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.793 N/A TYR 11.A N SER 8.A OG no hydrogen 2.939 N/A TYR 11.A OH ASN 119.A OD1 no hydrogen 2.685 N/A VAL 12.A N SER 8.A O no hydrogen 2.991 N/A SER 13.A N PRO 9.A O no hydrogen 3.257 N/A SER 13.A OG.A PRO 9.A O no hydrogen 3.328 N/A SER 13.A OG.A GLU 10.A O no hydrogen 2.931 N/A SER 13.A OG.B PRO 9.A O no hydrogen 2.916 N/A MET 14.A N GLU 10.A O no hydrogen 3.101 N/A CYS 15.A N TYR 11.A O no hydrogen 2.954 N/A CYS 15.A SG TYR 11.A O no hydrogen 3.211 N/A ASP 16.A N VAL 12.A O no hydrogen 3.260 N/A ASP 16.A N SER 13.A O no hydrogen 3.298 N/A SER 17.A N MET 14.A O no hydrogen 3.176 N/A SER 17.A OG MET 14.A O no hydrogen 2.519 N/A ALA 19.A N ASP 16.A O no hydrogen 3.134 N/A LYS 20.A NZ ASP 84.A OD1 no hydrogen 2.852 N/A ARG 24.A N ILE 21.A O no hydrogen 3.190 N/A ARG 24.A NH1 GLY 286.A O no hydrogen 2.878 N/A ARG 24.A NH1 GLY 288.A O no hydrogen 2.947 N/A ARG 24.A NH2 GLY 286.A O no hydrogen 2.929 N/A ALA 25.A N ASP 16.A OD2 no hydrogen 3.109 N/A ASP 26.A N ASP 16.A OD1 no hydrogen 3.062 N/A MET 27.A N LYS 23.A O no hydrogen 2.941 N/A VAL 28.A N ARG 24.A O no hydrogen 2.853 N/A HIS 29.A N ALA 25.A O no hydrogen 3.162 N/A HIS 29.A ND1 TYR 5.A OH no hydrogen 2.920 N/A SER 30.A N ASP 26.A O no hydrogen 2.871 N/A SER 30.A OG ASP 26.A O no hydrogen 2.638 N/A SER 30.A OG ASP 26.A OD1 no hydrogen 3.205 N/A LEU 31.A N MET 27.A O no hydrogen 3.120 N/A ILE 32.A N VAL 28.A O no hydrogen 3.166 N/A GLU 33.A N HIS 29.A O no hydrogen 2.722 N/A ALA 34.A N SER 30.A O no hydrogen 2.773 N/A TYR 35.A N LEU 31.A O no hydrogen 3.046 N/A TYR 35.A OH SER 311.A O no hydrogen 3.072 N/A ALA 36.A N GLU 33.A O no hydrogen 2.927 N/A LEU 37.A N ILE 32.A O no hydrogen 3.085 N/A GLN 40.A N LEU 37.A O no hydrogen 3.012 N/A MET 41.A N HIS 38.A O no hydrogen 3.247 N/A ARG 42.A N PRO 3.A O no hydrogen 2.971 N/A VAL 44.A N TYR 5.A O no hydrogen 2.998 N/A LYS 47.A N THR 104.A OG1 no hydrogen 3.065 N/A ALA 49.A N ALA 96.A O no hydrogen 2.906 N/A SER 50.A N GLU 53.A OE1 no hydrogen 2.959 N/A SER 50.A OG GLU 53.A OE1 no hydrogen 3.430 N/A GLU 53.A N SER 50.A OG no hydrogen 3.279 N/A MET 54.A N SER 50.A O no hydrogen 3.165 N/A ALA 55.A N MET 51.A O no hydrogen 3.055 N/A ALA 55.A N GLU 52.A O no hydrogen 3.159 N/A THR 56.A N GLU 53.A O no hydrogen 3.395 N/A THR 56.A OG1 GLU 53.A O no hydrogen 2.802 N/A HIS 58.A N MET 54.A O no hydrogen 3.188 N/A THR 59.A N LYS 129.A O no hydrogen 2.880 N/A TYR 62.A N THR 59.A OG1 no hydrogen 3.299 N/A TYR 62.A OH TYR 137.A O no hydrogen 2.594 N/A LEU 63.A N THR 59.A O no hydrogen 3.119 N/A GLN 64.A N ASP 60.A O no hydrogen 2.773 N/A HIS 65.A N ALA 61.A O no hydrogen 3.273 N/A LEU 66.A N TYR 62.A O no hydrogen 3.172 N/A GLN 67.A N LEU 63.A O no hydrogen 3.071 N/A LYS 68.A N GLN 64.A O no hydrogen 2.991 N/A VAL 69.A N HIS 65.A O no hydrogen 3.020 N/A SER 70.A N LEU 66.A O no hydrogen 3.153 N/A SER 70.A OG GLN 67.A O no hydrogen 2.420 N/A GLN 71.A N LYS 68.A O no hydrogen 2.884 N/A GLU 72.A N LYS 68.A O no hydrogen 2.749 N/A GLY 73.A N VAL 69.A O no hydrogen 2.921 N/A GLY 80.A N GLU 78.A OE2 no hydrogen 3.151 N/A ASP 84.A N LEU 81.A O no hydrogen 3.030 N/A CYS 85.A SG GLY 82.A O no hydrogen 3.872 N/A ALA 87.A N ASP 84.A O no hydrogen 2.869 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.798 N/A ILE 91.A N THR 88.A O no hydrogen 3.386 N/A TYR 94.A N GLY 90.A O no hydrogen 3.186 N/A ALA 95.A N ILE 91.A O no hydrogen 2.840 N/A ALA 96.A N PHE 92.A O no hydrogen 2.939 N/A ALA 97.A N ASP 93.A O no hydrogen 3.022 N/A ILE 98.A N TYR 94.A O no hydrogen 2.878 N/A GLY 99.A N ALA 95.A O no hydrogen 2.819 N/A GLY 100.A N ALA 96.A O no hydrogen 2.971 N/A ALA 101.A N ALA 97.A O no hydrogen 3.089 N/A THR 102.A N ILE 98.A O no hydrogen 3.387 N/A THR 102.A OG1 ASP 140.A OD2 no hydrogen 2.671 N/A ILE 103.A N GLY 99.A O no hydrogen 3.140 N/A THR 104.A N GLY 100.A O no hydrogen 2.800 N/A THR 104.A OG1 GLY 100.A O no hydrogen 2.708 N/A ALA 105.A N ALA 101.A O no hydrogen 2.976 N/A ALA 106.A N THR 102.A O no hydrogen 2.972 N/A GLN 107.A N ILE 103.A O no hydrogen 2.878 N/A GLN 107.A NE2 ASP 111.A OD1 no hydrogen 2.994 N/A CYS 108.A N THR 104.A O no hydrogen 2.926 N/A CYS 108.A SG THR 104.A O no hydrogen 3.222 N/A LEU 109.A N ALA 105.A O no hydrogen 3.175 N/A ILE 110.A N ALA 106.A O no hydrogen 3.040 N/A ASP 111.A N GLN 107.A O no hydrogen 2.867 N/A GLY 112.A N LEU 109.A O no hydrogen 3.229 N/A MET 113.A N CYS 108.A O no hydrogen 3.070 N/A CYS 114.A SG VAL 116.A O no hydrogen 3.490 N/A LYS 115.A NZ GLN 278.A O no hydrogen 3.444 N/A ALA 117.A N THR 281.A O no hydrogen 2.972 N/A ILE 118.A N VAL 4.A O no hydrogen 2.716 N/A ASN 119.A N ILE 283.A O no hydrogen 2.904 N/A ASN 119.A ND2 THR 102.A OG1 no hydrogen 2.888 N/A TRP 120.A NE1 THR 302.A OG1 no hydrogen 2.977 N/A GLY 122.A N ASN 119.A O no hydrogen 3.015 N/A GLY 123.A N ASP 140.A OD1 no hydrogen 3.147 N/A GLY 123.A N ASP 140.A OD2 no hydrogen 2.764 N/A TRP 124.A N ASP 140.A OD1 no hydrogen 2.947 N/A TRP 124.A NE1 SER 121.A O no hydrogen 2.997 N/A HIS 125.A ND1 ASP 159.A OD2 no hydrogen 2.410 N/A HIS 126.A ND1 ASP 166.A OD2 no hydrogen 2.911 N/A LYS 128.A N GLU 131.A O no hydrogen 2.877 N/A LYS 128.A NZ.A HIS 126.A O no hydrogen 2.798 N/A LYS 128.A NZ.A ASP 166.A OD1 no hydrogen 2.866 N/A LYS 128.A NZ.B ASP 166.A O no hydrogen 3.070 N/A LYS 128.A NZ.B ASP 170.A OD1 no hydrogen 2.873 N/A LYS 128.A NZ.C GLU 131.A OE2 no hydrogen 3.371 N/A ALA 132.A N TYR 79.A O no hydrogen 2.780 N/A SER 133.A N CYS 136.A O no hydrogen 2.906 N/A CYS 136.A N SER 133.A O no hydrogen 2.892 N/A CYS 136.A SG GLY 134.A O no hydrogen 3.299 N/A TYR 137.A OH ASP 84.A OD2 no hydrogen 2.627 N/A ASN 139.A N HIS 58.A NE2 no hydrogen 3.073 N/A ASN 139.A ND2 ALA 127.A O no hydrogen 3.187 N/A VAL 142.A N ASN 139.A OD1 no hydrogen 3.015 N/A LEU 143.A N ASN 139.A O no hydrogen 3.309 N/A GLY 144.A N ASP 140.A O no hydrogen 2.762 N/A ILE 145.A N ALA 141.A O no hydrogen 2.966 N/A LEU 146.A N VAL 142.A O no hydrogen 2.903 N/A ARG 147.A N LEU 143.A O no hydrogen 3.133 N/A ARG 147.A NH1 GLU 53.A OE2 no hydrogen 3.393 N/A ARG 147.A NH2 GLN 107.A OE1 no hydrogen 2.775 N/A LEU 148.A N GLY 144.A O no hydrogen 3.096 N/A ARG 149.A N ILE 145.A O no hydrogen 2.973 N/A ARG 149.A NH1 PHE 152.A O no hydrogen 2.817 N/A ARG 150.A N ARG 147.A O no hydrogen 3.241 N/A LYS 151.A N LEU 148.A O no hydrogen 3.008 N/A PHE 152.A N LEU 148.A O no hydrogen 2.903 N/A ARG 154.A NE PHE 238.A O no hydrogen 3.000 N/A ARG 154.A NE ASN 239.A O no hydrogen 2.955 N/A ARG 154.A NH2 ASN 239.A O no hydrogen 2.908 N/A ILE 155.A N LYS 177.A O no hydrogen 2.987 N/A LEU 156.A N ALA 242.A O no hydrogen 2.964 N/A TYR 157.A N MET 179.A O no hydrogen 2.737 N/A TYR 157.A OH ASP 159.A OD2 no hydrogen 2.539 N/A VAL 158.A N VAL 244.A O no hydrogen 2.965 N/A ASP 159.A N VAL 181.A O no hydrogen 2.742 N/A LEU 160.A N GLN 246.A O no hydrogen 2.894 N/A ASP 161.A N ASP 159.A OD1 no hydrogen 3.078 N/A LEU 162.A N ASP 250.A OD1 no hydrogen 3.119 N/A HIS 163.A N ASP 161.A OD1 no hydrogen 2.861 N/A HIS 163.A ND1 ASP 161.A OD1 no hydrogen 3.214 N/A HIS 164.A ND1 THR 194.A OG1 no hydrogen 2.771 N/A HIS 164.A NE2 GLU 169.A OE1 no hydrogen 2.843 N/A ASP 166.A N HIS 164.A O no hydrogen 2.763 N/A GLU 169.A N GLY 165.A O no hydrogen 3.163 N/A ASP 170.A N ASP 166.A O no hydrogen 3.032 N/A ALA 171.A N GLY 167.A O no hydrogen 3.318 N/A ALA 171.A N VAL 168.A O no hydrogen 3.167 N/A PHE 172.A N GLU 169.A O no hydrogen 3.263 N/A THR 175.A N PHE 172.A O no hydrogen 3.188 N/A LYS 177.A N THR 175.A OG1.A no hydrogen 3.214 N/A LYS 177.A NZ GLU 153.A OE2 no hydrogen 3.504 N/A MET 179.A N ILE 155.A O no hydrogen 2.866 N/A THR 180.A N TYR 208.A O no hydrogen 3.368 N/A VAL 181.A N TYR 157.A O no hydrogen 2.617 N/A SER 182.A N VAL 210.A O no hydrogen 2.861 N/A SER 182.A OG HIS 184.A ND1 no hydrogen 2.708 N/A LEU 183.A N ASP 159.A O no hydrogen 3.066 N/A HIS 184.A N VAL 212.A O no hydrogen 3.327 N/A HIS 184.A ND1 SER 182.A OG no hydrogen 2.708 N/A HIS 184.A NE2 GLY 195.A O no hydrogen 2.689 N/A LYS 185.A N LEU 162.A O no hydrogen 2.981 N/A LYS 185.A NZ ASP 216.A OD1 no hydrogen 2.894 N/A LYS 185.A NZ ASP 216.A OD2 no hydrogen 2.989 N/A PHE 186.A N ILE 214.A O no hydrogen 3.206 N/A PHE 190.A N SER 187.A O no hydrogen 2.833 N/A THR 194.A OG1 HIS 164.A ND1 no hydrogen 2.771 N/A ASP 196.A N ASP 199.A OD1 no hydrogen 2.901 N/A SER 198.A OG ASP 196.A OD1 no hydrogen 3.239 N/A ASP 199.A N ASP 196.A O no hydrogen 2.964 N/A LEU 202.A N SER 173.A O no hydrogen 2.949 N/A GLY 205.A N LEU 202.A O no hydrogen 2.860 N/A ARG 206.A N GLY 203.A O no hydrogen 3.192 N/A ARG 206.A NE TYR 207.A OH no hydrogen 3.260 N/A ARG 206.A NH2 TYR 207.A OH no hydrogen 3.252 N/A TYR 207.A N VAL 200.A O no hydrogen 2.619 N/A TYR 208.A N GLY 205.A O no hydrogen 3.001 N/A SER 209.A N VAL 200.A O no hydrogen 3.274 N/A VAL 210.A N THR 180.A O no hydrogen 2.706 N/A ASN 211.A ND2 GLU 169.A OE1 no hydrogen 3.067 N/A ASN 211.A ND2 ASP 199.A O no hydrogen 2.837 N/A VAL 212.A N SER 182.A O no hydrogen 2.829 N/A ILE 214.A N HIS 184.A O no hydrogen 2.841 N/A GLN 215.A N ASN 340.A OD1 no hydrogen 2.717 N/A GLN 215.A NE2 PHE 186.A O no hydrogen 3.207 N/A GLY 217.A N SER 259.A O no hydrogen 2.761 N/A LYS 222.A NZ ASP 338.A OD2 no hydrogen 3.353 N/A LYS 222.A NZ ASN 340.A O no hydrogen 2.860 N/A TYR 223.A N GLN 219.A O no hydrogen 3.053 N/A TYR 224.A N ASP 220.A O no hydrogen 2.963 N/A GLN 225.A N GLU 221.A O no hydrogen 3.112 N/A ILE 226.A N LYS 222.A O no hydrogen 3.033 N/A CYS 227.A N TYR 223.A O no hydrogen 2.829 N/A GLU 228.A N TYR 224.A O no hydrogen 2.774 N/A SER 229.A N GLN 225.A O no hydrogen 3.094 N/A VAL 230.A N ILE 226.A O no hydrogen 3.084 N/A LEU 231.A N CYS 227.A O no hydrogen 2.926 N/A LYS 232.A N GLU 228.A O no hydrogen 2.845 N/A GLU 233.A N SER 229.A O no hydrogen 3.424 N/A VAL 234.A N VAL 230.A O no hydrogen 2.783 N/A TYR 235.A N LEU 231.A O no hydrogen 2.802 N/A GLN 236.A N LYS 232.A O no hydrogen 3.352 N/A ALA 237.A N GLU 233.A O no hydrogen 3.171 N/A PHE 238.A N VAL 234.A O no hydrogen 2.860 N/A ASN 239.A N TYR 235.A O no hydrogen 2.931 N/A LYS 241.A N ARG 154.A O no hydrogen 2.906 N/A ALA 242.A N ARG 154.A O no hydrogen 3.388 N/A VAL 243.A N ALA 280.A O no hydrogen 2.742 N/A VAL 244.A N LEU 156.A O no hydrogen 2.929 N/A LEU 245.A N LEU 282.A O no hydrogen 2.769 N/A GLN 246.A N VAL 158.A O no hydrogen 2.769 N/A GLN 246.A NE2 GLY 123.A O no hydrogen 2.848 N/A GLN 246.A NE2 ASP 161.A OD2 no hydrogen 3.460 N/A LEU 247.A N LEU 284.A O no hydrogen 2.909 N/A GLY 248.A N GLN 246.A OE1 no hydrogen 2.904 N/A ALA 249.A N GLY 287.A O no hydrogen 2.796 N/A ILE 252.A N ALA 249.A O no hydrogen 3.378 N/A ALA 253.A N MET 262.A O no hydrogen 2.782 N/A ASP 255.A N ILE 252.A O no hydrogen 3.156 N/A MET 257.A N ASP 255.A OD2 no hydrogen 2.962 N/A CYS 258.A N ASP 255.A O no hydrogen 2.794 N/A SER 259.A OG MET 257.A O no hydrogen 3.403 N/A ASN 261.A N ILE 218.A O no hydrogen 2.839 N/A ASN 261.A ND2 SER 334.A O no hydrogen 2.771 N/A MET 262.A N THR 251.A O no hydrogen 3.121 N/A THR 263.A N ASP 220.A OD1 no hydrogen 2.981 N/A THR 263.A OG1 ASP 220.A OD1 no hydrogen 3.387 N/A THR 263.A OG1 ASP 220.A OD2 no hydrogen 2.476 N/A GLY 266.A N THR 263.A O no hydrogen 3.070 N/A ILE 267.A N THR 263.A O no hydrogen 3.485 N/A GLY 268.A N PRO 264.A O no hydrogen 2.879 N/A LYS 269.A N VAL 265.A O no hydrogen 3.197 N/A LYS 269.A N GLY 266.A O no hydrogen 3.255 N/A CYS 270.A SG GLY 266.A O no hydrogen 3.663 N/A LEU 271.A N ILE 267.A O no hydrogen 2.999 N/A LYS 272.A N GLY 268.A O no hydrogen 2.830 N/A TYR 273.A N LYS 269.A O no hydrogen 2.964 N/A ILE 274.A N CYS 270.A O no hydrogen 3.118 N/A LEU 275.A N LEU 271.A O no hydrogen 2.849 N/A GLN 276.A N LYS 272.A O no hydrogen 3.059 N/A TRP 277.A N ILE 274.A O no hydrogen 3.097 N/A GLN 278.A N LEU 275.A O no hydrogen 2.844 N/A THR 281.A N LYS 115.A O no hydrogen 2.733 N/A THR 281.A OG1 LEU 279.A O no hydrogen 2.837 N/A LEU 282.A N VAL 243.A O no hydrogen 2.681 N/A ILE 283.A N ALA 117.A O no hydrogen 2.781 N/A LEU 284.A N LEU 245.A O no hydrogen 2.770 N/A GLY 287.A N ASP 161.A OD2 no hydrogen 2.978 N/A TYR 289.A N ASP 255.A OD1 no hydrogen 2.928 N/A ASN 290.A ND2 GLY 254.A O no hydrogen 2.914 N/A ASN 293.A N ASN 290.A OD1 no hydrogen 3.225 N/A ASN 293.A ND2 ALA 253.A O no hydrogen 2.942 N/A THR 294.A N ASN 290.A O no hydrogen 2.831 N/A THR 294.A OG1 ASN 290.A O no hydrogen 2.816 N/A ALA 295.A N LEU 291.A O no hydrogen 3.001 N/A ARG 296.A N ALA 292.A O no hydrogen 2.763 N/A ARG 296.A NE VAL 328.A O no hydrogen 2.713 N/A ARG 296.A NH1 TYR 323.A O no hydrogen 2.857 N/A ARG 296.A NH1 VAL 328.A O no hydrogen 3.282 N/A ARG 296.A NH2 ASN 293.A OD1 no hydrogen 2.945 N/A CYS 297.A N ASN 293.A O no hydrogen 2.813 N/A TRP 298.A N THR 294.A O no hydrogen 3.036 N/A TRP 298.A NE1 LEU 247.A O no hydrogen 2.891 N/A THR 299.A N ALA 295.A O no hydrogen 3.000 N/A THR 299.A OG1 ALA 295.A O no hydrogen 2.658 N/A TYR 300.A N ARG 296.A O no hydrogen 3.034 N/A LEU 301.A N CYS 297.A O no hydrogen 2.850 N/A THR 302.A N TRP 298.A O no hydrogen 3.059 N/A THR 302.A OG1 TRP 298.A O no hydrogen 2.575 N/A GLY 303.A N THR 299.A O no hydrogen 3.027 N/A VAL 304.A N TYR 300.A O no hydrogen 2.931 N/A ILE 305.A N LEU 301.A O no hydrogen 2.957 N/A LEU 306.A N THR 302.A O no hydrogen 3.081 N/A GLY 307.A N VAL 304.A O no hydrogen 3.012 N/A LYS 308.A N GLY 303.A O no hydrogen 2.706 N/A SER 312.A OG GLU 313.A OE1 no hydrogen 3.070 N/A SER 312.A OG GLU 313.A OE2 no hydrogen 3.313 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.791 N/A ILE 314.A N TYR 327.A O no hydrogen 3.033 N/A HIS 317.A ND1 PRO 315.A O no hydrogen 2.743 N/A PHE 320.A N HIS 317.A O no hydrogen 3.283 N/A ALA 322.A N PHE 319.A O no hydrogen 2.980 N/A TYR 323.A N PHE 320.A O no hydrogen 3.205 N/A TYR 327.A N TYR 323.A O no hydrogen 2.870 N/A VAL 328.A N ASP 326.A OD2.A no hydrogen 3.109 N/A LEU 329.A N SER 312.A O no hydrogen 2.752 N/A SER 334.A N ASN 261.A OD1 no hydrogen 2.832 N/A ARG 336.A NH1 SER 259.A O no hydrogen 2.724 N/A ARG 336.A NH2 PHE 260.A O no hydrogen 3.480 N/A ARG 339.A N ASP 216.A O no hydrogen 2.946 N/A ASN 340.A N ASP 338.A OD1 no hydrogen 2.904 N/A ASN 340.A ND2 GLN 215.A O no hydrogen 2.911 N/A ASN 340.A ND2 ASP 338.A OD1 no hydrogen 3.022 N/A ARG 344.A NH2 GLN 347.A OE1 no hydrogen 3.533 N/A ILE 345.A N GLU 341.A O no hydrogen 3.106 N/A GLN 346.A N PRO 342.A O no hydrogen 3.047 N/A GLN 347.A N HIS 343.A O no hydrogen 3.027 N/A ILE 348.A N ARG 344.A O no hydrogen 3.074 N/A LEU 349.A N ILE 345.A O no hydrogen 3.056 N/A ASN 350.A N GLN 346.A O no hydrogen 2.958 N/A TYR 351.A N GLN 347.A O no hydrogen 2.825 N/A ILE 352.A N ILE 348.A O no hydrogen 2.921 N/A LYS 353.A N LEU 349.A O no hydrogen 2.844 N/A GLY 354.A N ASN 350.A O no hydrogen 2.993 N/A ASN 355.A N TYR 351.A O no hydrogen 3.127 N/A LEU 356.A N ILE 352.A O no hydrogen 2.958 N/A LYS 357.A N GLY 354.A O no hydrogen 3.348 N/A HIS 358.A N ASN 355.A O no hydrogen 3.159 N/A VAL 359.A N LEU 356.A O no hydrogen 3.216 N/A