Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q8r_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 SER 265.A O no hydrogen 2.942 N/A ILE 4.A N ALA 174.A O no hydrogen 2.802 N/A VAL 5.A N VAL 104.A O no hydrogen 2.909 N/A HIS 6.A N GLY 172.A O no hydrogen 2.924 N/A HIS 6.A ND1 SER 184.A OG no hydrogen 2.798 N/A HIS 6.A NE2 GLU 101.A OE1 no hydrogen 2.865 N/A VAL 7.A N ASN 102.A O no hydrogen 2.762 N/A ASP 8.A N CYS 170.A O no hydrogen 2.793 N/A LEU 9.A N ASP 100.A O no hydrogen 3.071 N/A ASP 10.A N THR 168.A O no hydrogen 3.314 N/A GLN 15.A N CYS 11.A O no hydrogen 2.902 N/A VAL 16.A N PHE 12.A O no hydrogen 2.858 N/A GLU 17.A N TYR 13.A O no hydrogen 2.780 N/A MET 18.A N ALA 14.A O no hydrogen 2.666 N/A ILE 19.A N GLN 15.A O no hydrogen 2.973 N/A SER 20.A N VAL 16.A O no hydrogen 3.216 N/A SER 20.A OG VAL 16.A O no hydrogen 3.396 N/A ASN 21.A N GLU 17.A O no hydrogen 3.136 N/A LEU 24.A N ASN 21.A O no hydrogen 2.996 N/A LYS 25.A N PRO 22.A O no hydrogen 2.861 N/A LYS 27.A N LEU 24.A O no hydrogen 3.135 N/A GLY 30.A N VAL 66.A O no hydrogen 2.795 N/A VAL 31.A N THR 39.A O no hydrogen 2.807 N/A GLN 32.A N VAL 68.A O no hydrogen 2.672 N/A GLN 33.A N LEU 36.A O no hydrogen 2.949 N/A GLN 33.A NE2 GLY 70.A O no hydrogen 2.909 N/A LYS 34.A N GLU 71.A OE2 no hydrogen 2.930 N/A LYS 34.A NZ ASP 280.A OD1 no hydrogen 3.191 N/A LEU 36.A N GLN 33.A O no hydrogen 2.754 N/A VAL 37.A N MET 53.A O no hydrogen 2.820 N/A VAL 38.A N VAL 31.A O no hydrogen 2.954 N/A CYS 40.A SG VAL 49.A O no hydrogen 3.873 N/A ASN 41.A N LEU 29.A O no hydrogen 3.007 N/A ALA 44.A N ASN 41.A O no hydrogen 2.963 N/A ARG 45.A N ASN 41.A O no hydrogen 3.221 N/A ARG 45.A NE CYS 40.A O no hydrogen 2.963 N/A ARG 45.A NH2 CYS 40.A O no hydrogen 3.183 N/A LYS 46.A N TYR 42.A O no hydrogen 3.032 N/A LEU 47.A N ALA 44.A O no hydrogen 2.943 N/A GLY 48.A N ARG 45.A O no hydrogen 3.086 N/A LEU 52.A N VAL 38.A O no hydrogen 3.175 N/A MET 53.A N VAL 37.A O no hydrogen 2.839 N/A VAL 55.A N TYR 35.A O no hydrogen 2.973 N/A ARG 56.A N ASN 54.A OD1 no hydrogen 2.936 N/A ALA 58.A N ASN 54.A O no hydrogen 2.663 N/A LYS 59.A N VAL 55.A O no hydrogen 3.001 N/A LYS 59.A NZ LEU 65.A O no hydrogen 3.377 N/A GLU 60.A N ARG 56.A O no hydrogen 3.136 N/A LYS 61.A N ASP 57.A O no hydrogen 3.216 N/A CYS 62.A N ALA 58.A O no hydrogen 3.050 N/A CYS 62.A N LYS 59.A O no hydrogen 3.157 N/A LEU 65.A N CYS 62.A O no hydrogen 2.863 N/A VAL 66.A N PRO 28.A O no hydrogen 3.296 N/A VAL 68.A N GLY 30.A O no hydrogen 3.190 N/A GLY 70.A N GLN 32.A O no hydrogen 2.682 N/A THR 74.A N ASP 72.A OD1 no hydrogen 3.092 N/A THR 74.A OG1 ASP 72.A OD1 no hydrogen 2.489 N/A THR 74.A OG1 ASP 72.A OD2 no hydrogen 3.352 N/A ARG 75.A NH1 GLU 17.A OE1 no hydrogen 3.124 N/A ARG 75.A NH1 GLU 17.A OE2 no hydrogen 3.072 N/A ARG 75.A NH2 GLU 17.A OE1 no hydrogen 2.738 N/A TYR 76.A OH GLU 17.A OE1 no hydrogen 2.594 N/A ARG 77.A N LEU 73.A O no hydrogen 2.778 N/A GLU 78.A N THR 74.A O no hydrogen 3.034 N/A MET 79.A N ARG 75.A O no hydrogen 3.080 N/A SER 80.A N TYR 76.A O no hydrogen 2.820 N/A SER 80.A OG PHE 99.A O no hydrogen 2.642 N/A TYR 81.A N ARG 77.A O no hydrogen 3.024 N/A LYS 82.A N GLU 78.A O no hydrogen 2.991 N/A VAL 83.A N MET 79.A O no hydrogen 2.859 N/A THR 84.A N SER 80.A O no hydrogen 3.165 N/A GLU 85.A N TYR 81.A O no hydrogen 2.990 N/A LEU 86.A N LYS 82.A O no hydrogen 3.045 N/A LEU 87.A N VAL 83.A O no hydrogen 2.990 N/A GLU 88.A N THR 84.A O no hydrogen 2.667 N/A GLU 89.A N LEU 86.A O no hydrogen 3.128 N/A PHE 90.A N LEU 87.A O no hydrogen 2.976 N/A SER 91.A N LEU 87.A O no hydrogen 3.317 N/A GLU 95.A N PHE 103.A O no hydrogen 2.877 N/A ARG 96.A N SER 270.A OG no hydrogen 2.635 N/A ARG 96.A NH1 SER 80.A OG no hydrogen 2.792 N/A ARG 96.A NH2 SER 80.A OG no hydrogen 3.016 N/A LEU 97.A N GLU 101.A O no hydrogen 2.830 N/A ASN 102.A N VAL 7.A O no hydrogen 3.041 N/A PHE 103.A N GLU 95.A O no hydrogen 2.722 N/A VAL 104.A N VAL 5.A O no hydrogen 2.950 N/A LEU 106.A N VAL 3.A O no hydrogen 2.657 N/A THR 107.A N ASP 105.A OD2 no hydrogen 2.855 N/A THR 107.A OG1 ASP 105.A OD2 no hydrogen 3.195 N/A VAL 110.A N LEU 106.A O no hydrogen 2.802 N/A GLU 111.A N THR 107.A O no hydrogen 3.046 N/A LYS 112.A N GLU 108.A O no hydrogen 3.074 N/A ARG 113.A N MET 109.A O no hydrogen 3.094 N/A ARG 113.A NH1 GLU 156.A OE1 no hydrogen 3.472 N/A ARG 113.A NH1 GLU 156.A OE2 no hydrogen 2.962 N/A ARG 113.A NH2 GLU 156.A OE1 no hydrogen 2.882 N/A LEU 114.A N VAL 110.A O no hydrogen 3.095 N/A GLN 115.A N GLU 111.A O no hydrogen 3.083 N/A GLN 116.A N ARG 113.A O no hydrogen 2.777 N/A LEU 117.A N LEU 114.A O no hydrogen 2.834 N/A GLN 118.A N GLU 121.A OE2 no hydrogen 2.747 N/A GLN 118.A NE2 GLN 116.A O no hydrogen 3.500 N/A GLU 121.A N ASP 120.A OD2 no hydrogen 3.086 N/A LEU 122.A N GLN 118.A O no hydrogen 3.149 N/A LEU 122.A N SER 119.A O no hydrogen 3.259 N/A SER 123.A N ASP 120.A O no hydrogen 2.895 N/A SER 128.A N SER 151.A OG no hydrogen 2.941 N/A HIS 130.A N GLN 192.A O no hydrogen 2.863 N/A HIS 130.A ND1 GLN 192.A O no hydrogen 3.158 N/A TYR 132.A N VAL 194.A O no hydrogen 2.803 N/A ASN 134.A N VAL 131.A O no hydrogen 3.206 N/A GLN 135.A N TYR 132.A O no hydrogen 3.320 N/A GLN 135.A NE2 GLU 198.A OE2 no hydrogen 2.790 N/A LEU 140.A N ASN 138.A OD1 no hydrogen 3.036 N/A ASP 141.A N ASN 138.A O no hydrogen 2.752 N/A LEU 143.A N ASP 141.A OD1 no hydrogen 3.056 N/A ILE 145.A N ASP 141.A O no hydrogen 2.950 N/A ARG 146.A N VAL 142.A O no hydrogen 3.027 N/A LEU 147.A N LEU 143.A O no hydrogen 3.123 N/A LEU 148.A N HIS 144.A O no hydrogen 3.120 N/A LEU 148.A N ILE 145.A O no hydrogen 3.299 N/A VAL 149.A N ILE 145.A O no hydrogen 3.205 N/A GLY 150.A N ARG 146.A O no hydrogen 3.009 N/A SER 151.A N LEU 147.A O no hydrogen 3.021 N/A SER 151.A OG LEU 148.A O no hydrogen 2.569 N/A GLN 152.A N LEU 148.A O no hydrogen 3.050 N/A GLN 152.A N VAL 149.A O no hydrogen 2.735 N/A GLN 152.A NE2 THR 126.A O no hydrogen 2.821 N/A ILE 153.A N VAL 149.A O no hydrogen 2.906 N/A ALA 154.A N GLY 150.A O no hydrogen 2.823 N/A ALA 155.A N SER 151.A O no hydrogen 3.076 N/A GLU 156.A N GLN 152.A O no hydrogen 3.105 N/A MET 157.A N ILE 153.A O no hydrogen 2.914 N/A ARG 158.A N ALA 154.A O no hydrogen 2.899 N/A ARG 158.A NH2 GLY 169.A O no hydrogen 3.017 N/A GLU 159.A N ALA 155.A O no hydrogen 2.912 N/A ALA 160.A N GLU 156.A O no hydrogen 2.853 N/A MET 161.A N MET 157.A O no hydrogen 2.904 N/A TYR 162.A N ARG 158.A O no hydrogen 3.260 N/A TYR 162.A N GLU 159.A O no hydrogen 3.102 N/A ASN 163.A N.A GLU 159.A O no hydrogen 2.852 N/A ASN 163.A N.B GLU 159.A O no hydrogen 2.842 N/A ASN 163.A ND2.A GLU 159.A OE2 no hydrogen 2.969 N/A GLN 164.A N ALA 160.A O no hydrogen 2.854 N/A LEU 165.A N MET 161.A O no hydrogen 3.004 N/A GLY 166.A N TYR 162.A O no hydrogen 2.691 N/A LEU 167.A N MET 161.A O no hydrogen 3.155 N/A CYS 170.A N ASP 8.A O no hydrogen 2.694 N/A CYS 170.A SG ASP 10.A OD1 no hydrogen 3.585 N/A CYS 170.A SG PHE 187.A O no hydrogen 3.536 N/A ALA 171.A N GLN 191.A O no hydrogen 3.315 N/A GLY 172.A N HIS 6.A O no hydrogen 2.981 N/A VAL 173.A N THR 193.A O no hydrogen 3.111 N/A ALA 174.A N ILE 4.A O no hydrogen 2.994 N/A ASN 176.A ND2 GLY 261.A O no hydrogen 3.007 N/A LYS 177.A NZ GLU 95.A OE1 no hydrogen 3.094 N/A LYS 177.A NZ GLU 95.A OE2 no hydrogen 2.904 N/A LYS 177.A NZ PRO 266.A O no hydrogen 3.392 N/A LEU 178.A N ASP 263.A OD2 no hydrogen 3.113 N/A LEU 179.A N ASN 176.A OD1 no hydrogen 2.890 N/A ALA 180.A N ASN 176.A O no hydrogen 3.052 N/A LYS 181.A N LYS 177.A O no hydrogen 3.041 N/A LYS 181.A NZ GLU 101.A OE1 no hydrogen 3.311 N/A LEU 182.A N LEU 178.A O no hydrogen 2.888 N/A VAL 183.A N LEU 179.A O no hydrogen 2.684 N/A SER 184.A N ALA 180.A O no hydrogen 3.102 N/A SER 184.A OG HIS 6.A ND1 no hydrogen 2.798 N/A SER 184.A OG LYS 181.A O no hydrogen 3.207 N/A VAL 186.A N VAL 183.A O no hydrogen 3.250 N/A ASN 190.A N ASP 10.A OD2 no hydrogen 2.917 N/A GLN 191.A NE2 PRO 189.A O no hydrogen 3.017 N/A THR 193.A N ALA 171.A O no hydrogen 3.192 N/A VAL 194.A N HIS 130.A O no hydrogen 2.822 N/A LEU 195.A N VAL 173.A O no hydrogen 2.942 N/A SER 199.A N LEU 196.A O no hydrogen 2.961 N/A SER 199.A OG GLN 135.A OE1 no hydrogen 2.304 N/A CYS 200.A N PRO 197.A O no hydrogen 2.968 N/A CYS 200.A SG PHE 260.A O no hydrogen 4.024 N/A GLN 201.A NE2 PHE 260.A O no hydrogen 3.401 N/A LEU 203.A N SER 199.A O no hydrogen 3.010 N/A ILE 204.A N CYS 200.A O no hydrogen 3.184 N/A HIS 205.A N GLN 201.A O no hydrogen 2.852 N/A SER 206.A N LEU 203.A O no hydrogen 3.168 N/A SER 206.A OG LEU 203.A O no hydrogen 2.429 N/A LEU 207.A N ILE 204.A O no hydrogen 3.253 N/A ASN 208.A N GLU 212.A OE1 no hydrogen 3.303 N/A GLU 212.A N HIS 209.A O no hydrogen 2.824 N/A ILE 213.A N ILE 210.A O no hydrogen 3.327 N/A ILE 216.A N ILE 213.A O no hydrogen 3.149 N/A ALA 221.A N GLY 217.A O no hydrogen 2.953 N/A LYS 222.A N TYR 218.A O no hydrogen 2.843 N/A CYS 223.A N LYS 219.A O no hydrogen 2.858 N/A CYS 223.A SG LYS 219.A O no hydrogen 3.155 N/A LEU 224.A N THR 220.A O no hydrogen 2.734 N/A GLU 225.A N ALA 221.A O no hydrogen 2.679 N/A ALA 226.A N CYS 223.A O no hydrogen 3.330 N/A LEU 227.A N LEU 224.A O no hydrogen 2.754 N/A ILE 229.A N LEU 224.A O no hydrogen 3.103 N/A ASN 230.A N ASP 234.A OD2 no hydrogen 2.983 N/A SER 231.A N ASP 234.A OD2 no hydrogen 3.158 N/A ASP 234.A N SER 231.A OG no hydrogen 2.919 N/A LEU 235.A N SER 231.A O no hydrogen 3.075 N/A GLN 236.A N VAL 232.A O no hydrogen 2.869 N/A GLN 236.A NE2 GLN 201.A OE1 no hydrogen 3.457 N/A GLN 236.A NE2 SER 259.A O no hydrogen 2.624 N/A THR 237.A N ASP 234.A O no hydrogen 2.794 N/A ILE 242.A N SER 239.A OG no hydrogen 3.052 N/A LEU 243.A N SER 239.A O no hydrogen 2.851 N/A GLU 244.A N PRO 240.A O no hydrogen 2.920 N/A LYS 245.A N LYS 241.A O no hydrogen 3.228 N/A GLU 246.A N LEU 243.A O no hydrogen 2.891 N/A LEU 247.A N LEU 243.A O no hydrogen 3.010 N/A GLY 248.A N GLU 244.A O no hydrogen 2.948 N/A VAL 251.A N SER 250.A OG no hydrogen 2.590 N/A ALA 252.A N GLY 248.A O no hydrogen 2.970 N/A GLN 253.A N ILE 249.A O no hydrogen 3.303 N/A GLN 253.A NE2 GLU 244.A OE2 no hydrogen 3.137 N/A ARG 254.A N SER 250.A O no hydrogen 3.448 N/A ILE 255.A N VAL 251.A O no hydrogen 2.876 N/A GLN 256.A N ALA 252.A O no hydrogen 3.144 N/A GLN 256.A NE2 LEU 235.A O no hydrogen 2.965 N/A GLN 256.A NE2 PHE 238.A O no hydrogen 3.305 N/A LYS 257.A N GLN 253.A O no hydrogen 3.393 N/A LEU 258.A N ARG 254.A O no hydrogen 2.900 N/A SER 259.A N ILE 255.A O no hydrogen 3.291 N/A SER 259.A N GLN 256.A O no hydrogen 3.189 N/A SER 259.A OG GLN 256.A O no hydrogen 2.470 N/A PHE 260.A N LYS 257.A O no hydrogen 2.914 N/A GLY 261.A N LEU 258.A O no hydrogen 2.948 N/A GLU 262.A N LYS 257.A O no hydrogen 2.949 N/A SER 265.A N ASP 263.A OD1 no hydrogen 3.199 N/A SER 265.A OG ASP 263.A OD1 no hydrogen 2.773 N/A SER 265.A OG ASP 263.A OD2 no hydrogen 3.157 N/A ILE 268.A N GLU 95.A OE2 no hydrogen 2.756 N/A SER 270.A N VAL 94.A O no hydrogen 2.953 N/A PHE 276.A N PHE 374.A O no hydrogen 3.130 N/A GLU 278.A N VAL 372.A O no hydrogen 3.165 N/A ASP 280.A N LEU 370.A O no hydrogen 2.971 N/A PHE 282.A N THR 368.A O no hydrogen 3.170 N/A CYS 285.A N LEU 367.A O no hydrogen 2.911 N/A CYS 285.A SG SER 287.A O no hydrogen 3.481 N/A CYS 285.A SG GLU 290.A OE2 no hydrogen 3.728 N/A GLU 290.A N SER 287.A OG no hydrogen 3.033 N/A ALA 291.A N SER 287.A O no hydrogen 3.526 N/A LYS 292.A N GLU 288.A O no hydrogen 3.223 N/A ASN 293.A N VAL 289.A O no hydrogen 3.228 N/A ASN 293.A ND2 VAL 289.A O no hydrogen 2.905 N/A LYS 294.A N GLU 290.A O no hydrogen 2.764 N/A ILE 295.A N ALA 291.A O no hydrogen 2.584 N/A GLU 296.A N LYS 292.A O no hydrogen 2.674 N/A GLU 297.A N ASN 293.A O no hydrogen 2.912 N/A LEU 298.A N LYS 294.A O no hydrogen 2.908 N/A LEU 299.A N ILE 295.A O no hydrogen 2.901 N/A ALA 300.A N GLU 296.A O no hydrogen 2.870 N/A SER 301.A N GLU 297.A O no hydrogen 3.463 N/A LEU 302.A N LEU 298.A O no hydrogen 3.220 N/A LEU 303.A N LEU 299.A O no hydrogen 3.249 N/A LEU 303.A N ALA 300.A O no hydrogen 3.102 N/A ARG 305.A N SER 301.A O no hydrogen 3.174 N/A ARG 305.A NE GLU 278.A OE1 no hydrogen 3.323 N/A ARG 305.A NH2 GLU 278.A OE1 no hydrogen 3.497 N/A VAL 306.A N LEU 302.A O no hydrogen 3.072 N/A CYS 307.A N LEU 303.A O no hydrogen 2.850 N/A GLN 308.A N ASN 304.A O no hydrogen 2.852 N/A ASP 309.A N VAL 306.A O no hydrogen 2.790 N/A GLY 310.A N VAL 306.A O no hydrogen 3.374 N/A ARG 311.A NH1 PRO 273.A O no hydrogen 3.451 N/A ARG 311.A NH2 PRO 273.A O no hydrogen 2.635 N/A HIS 314.A N ASN 376.A O no hydrogen 2.773 N/A THR 315.A OG1 CYS 331.A O no hydrogen 3.481 N/A VAL 316.A N CYS 331.A O no hydrogen 3.039 N/A ARG 317.A N CYS 373.A O no hydrogen 2.850 N/A LEU 318.A N ARG 329.A O no hydrogen 2.846 N/A ILE 319.A N SER 371.A O no hydrogen 2.870 N/A ILE 320.A N GLU 327.A O no hydrogen 3.033 N/A ARG 321.A N LEU 369.A O no hydrogen 3.296 N/A ARG 321.A NH1 THR 368.A O no hydrogen 2.892 N/A ARG 321.A NH1 THR 368.A OG1 no hydrogen 3.416 N/A GLU 327.A N ILE 320.A O no hydrogen 3.267 N/A ARG 329.A N LEU 318.A O no hydrogen 3.072 N/A ARG 329.A NH1 SER 328.A O no hydrogen 3.263 N/A CYS 331.A N VAL 316.A O no hydrogen 3.160 N/A CYS 331.A SG PRO 332.A O no hydrogen 3.563 N/A ILE 333.A N HIS 314.A O no hydrogen 2.920 N/A SER 335.A OG HIS 336.A ND1 no hydrogen 3.233 N/A HIS 336.A ND1 SER 335.A OG no hydrogen 3.233 N/A ILE 338.A N PRO 334.A O no hydrogen 3.087 N/A ILE 338.A N SER 335.A O no hydrogen 3.276 N/A THR 345.A N ASP 342.A OD2 no hydrogen 3.304 N/A THR 345.A OG1 ASP 349.A OD1 no hydrogen 3.359 N/A MET 347.A N VAL 343.A O no hydrogen 3.104 N/A VAL 348.A N MET 344.A O no hydrogen 2.687 N/A ASP 349.A N THR 345.A O no hydrogen 2.969 N/A ILE 350.A N PRO 346.A O no hydrogen 3.027 N/A LEU 351.A N MET 347.A O no hydrogen 2.987 N/A MET 352.A N VAL 348.A O no hydrogen 2.775 N/A LYS 353.A N ASP 349.A O no hydrogen 3.070 N/A LEU 354.A N ILE 350.A O no hydrogen 3.030 N/A PHE 355.A N LEU 351.A O no hydrogen 2.592 N/A ARG 356.A N MET 352.A O no hydrogen 2.790 N/A ASN 357.A N LYS 353.A O no hydrogen 2.973 N/A MET 358.A N PHE 355.A O no hydrogen 2.938 N/A VAL 359.A N PHE 355.A O no hydrogen 2.959 N/A LEU 367.A N CYS 285.A O no hydrogen 2.784 N/A THR 368.A N ARG 321.A O no hydrogen 2.842 N/A THR 368.A OG1 PHE 282.A O no hydrogen 3.203 N/A LEU 370.A N ASP 280.A O no hydrogen 3.025 N/A SER 371.A N ILE 319.A O no hydrogen 2.987 N/A SER 371.A OG GLU 278.A O no hydrogen 2.580 N/A VAL 372.A N GLU 278.A O no hydrogen 3.170 N/A CYS 373.A N ARG 317.A O no hydrogen 2.981 N/A CYS 373.A SG PHE 276.A O no hydrogen 3.746 N/A PHE 374.A N PHE 276.A O no hydrogen 2.803 N/A CYS 375.A N THR 315.A O no hydrogen 3.137 N/A LYS 378.A N LYS 312.A O no hydrogen 2.607 N/A