Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N GLU 1.A O no hydrogen 3.079 N/A SER 4.A OG GLU 1.A O no hydrogen 2.798 N/A LYS 6.A N GLN 2.A O no hydrogen 3.201 N/A GLU 7.A N GLU 3.A O no hydrogen 2.606 N/A PHE 8.A N VAL 5.A O no hydrogen 3.382 N/A LEU 9.A N VAL 5.A O no hydrogen 3.471 N/A ALA 12.A N PHE 8.A O no hydrogen 2.936 N/A LYS 13.A N LEU 9.A O no hydrogen 2.505 N/A GLU 14.A N ALA 10.A O no hydrogen 2.977 N/A ASP 15.A N LYS 11.A O no hydrogen 3.094 N/A PHE 16.A N ALA 12.A O no hydrogen 2.576 N/A LEU 17.A N LYS 13.A O no hydrogen 2.682 N/A LYS 18.A N GLU 14.A O no hydrogen 3.114 N/A LYS 19.A N PHE 16.A O no hydrogen 2.666 N/A TRP 20.A N PHE 16.A O no hydrogen 3.028 N/A GLU 21.A N LEU 17.A O no hydrogen 2.913 N/A SER 24.A N GLN 86.A OE1 no hydrogen 2.919 N/A GLN 25.A NE2 THR 336.A O no hydrogen 3.246 N/A GLN 25.A NE2 PHE 338.A O no hydrogen 3.010 N/A THR 27.A N SER 99.A O no hydrogen 2.620 N/A THR 27.A OG1 SER 99.A O no hydrogen 3.559 N/A GLN 29.A NE2 ASP 31.A OD1 no hydrogen 2.724 N/A GLN 32.A N GLN 29.A O no hydrogen 3.078 N/A PHE 33.A N LEU 30.A O no hydrogen 2.670 N/A ASP 34.A N LYS 51.A O no hydrogen 3.207 N/A ARG 35.A NH1 GLU 322.A O no hydrogen 2.871 N/A ARG 35.A NH2 GLU 322.A O no hydrogen 3.030 N/A ILE 36.A N LEU 49.A O no hydrogen 2.661 N/A LYS 37.A N LEU 49.A O no hydrogen 3.225 N/A THR 38.A OG1 GLU 321.A OE1 no hydrogen 2.722 N/A LEU 39.A N VAL 47.A O no hydrogen 2.602 N/A ARG 46.A NH2 GLU 322.A O no hydrogen 2.825 N/A VAL 47.A N GLY 40.A O no hydrogen 3.485 N/A MET 48.A N MET 61.A O no hydrogen 2.768 N/A VAL 50.A N TYR 59.A O no hydrogen 2.868 N/A LYS 51.A N ASP 34.A O no hydrogen 3.146 N/A HIS 52.A N ASN 57.A O no hydrogen 2.365 N/A LYS 53.A N GLN 32.A O no hydrogen 3.083 N/A LYS 53.A NZ ASP 31.A O no hydrogen 2.495 N/A LYS 53.A NZ ASP 34.A OD1 no hydrogen 3.532 N/A GLY 56.A N HIS 52.A O no hydrogen 2.884 N/A ASN 57.A N SER 55.A OG no hydrogen 3.177 N/A TYR 59.A N VAL 50.A O no hydrogen 2.835 N/A ALA 60.A N MET 110.A O no hydrogen 2.802 N/A MET 61.A N MET 48.A O no hydrogen 3.355 N/A LYS 62.A N MET 108.A O no hydrogen 2.877 N/A ILE 63.A N ARG 46.A O no hydrogen 3.042 N/A LEU 64.A N LEU 106.A O no hydrogen 3.095 N/A LYS 66.A N SER 104.A O no hydrogen 2.876 N/A LYS 66.A NZ ASP 102.A O no hydrogen 2.579 N/A LYS 66.A NZ LYS 330.A O no hydrogen 3.256 N/A VAL 69.A N ASP 65.A O no hydrogen 3.197 N/A VAL 70.A N LYS 66.A O no hydrogen 3.307 N/A LYS 71.A N GLN 67.A O no hydrogen 3.115 N/A LEU 72.A N LYS 68.A O no hydrogen 2.813 N/A LYS 73.A N VAL 70.A O no hydrogen 2.631 N/A GLN 74.A N VAL 69.A O no hydrogen 2.635 N/A GLN 74.A NE2 LEU 72.A O no hydrogen 3.249 N/A HIS 77.A ND1 GLN 74.A OE1 no hydrogen 2.988 N/A THR 78.A N GLN 74.A O no hydrogen 2.782 N/A THR 78.A OG1 GLN 74.A O no hydrogen 2.565 N/A LEU 79.A N ILE 75.A O no hydrogen 2.868 N/A ASN 80.A N GLU 76.A O no hydrogen 2.700 N/A GLU 81.A N HIS 77.A O no hydrogen 2.691 N/A LYS 82.A N THR 78.A O no hydrogen 3.489 N/A LYS 82.A NZ SER 24.A O no hydrogen 3.014 N/A ARG 83.A N LEU 79.A O no hydrogen 3.036 N/A ARG 83.A NE TRP 20.A O no hydrogen 2.980 N/A ARG 83.A NH2 TRP 20.A O no hydrogen 2.783 N/A ILE 84.A N ASN 80.A O no hydrogen 3.082 N/A LEU 85.A N GLU 81.A O no hydrogen 2.976 N/A GLN 86.A N LYS 82.A O no hydrogen 3.039 N/A GLN 86.A NE2 LYS 19.A O no hydrogen 3.472 N/A GLN 86.A NE2 ARG 83.A O no hydrogen 2.278 N/A ALA 87.A N ILE 84.A O no hydrogen 3.203 N/A VAL 88.A N ILE 84.A O no hydrogen 3.234 N/A ASN 89.A N TYR 146.A OH no hydrogen 2.719 N/A LEU 93.A N PHE 90.A O no hydrogen 3.095 N/A VAL 94.A N VAL 172.A O no hydrogen 3.086 N/A PHE 98.A N VAL 109.A O no hydrogen 3.070 N/A PHE 100.A N TYR 107.A O no hydrogen 3.096 N/A LYS 101.A NZ PHE 335.A O no hydrogen 2.991 N/A LYS 101.A NZ THR 336.A O no hydrogen 3.393 N/A ASP 102.A N ASN 105.A O no hydrogen 3.044 N/A SER 104.A N ASP 102.A OD1 no hydrogen 3.077 N/A ASN 105.A N ASP 102.A OD1 no hydrogen 2.629 N/A ASN 105.A ND2 TYR 107.A OH no hydrogen 2.849 N/A ASN 105.A ND2 ARG 325.A O no hydrogen 3.599 N/A LEU 106.A N LEU 64.A O no hydrogen 3.087 N/A TYR 107.A N PHE 100.A O no hydrogen 2.794 N/A TYR 107.A OH ASP 102.A OD2 no hydrogen 2.414 N/A MET 108.A N LYS 62.A O no hydrogen 3.044 N/A VAL 109.A N PHE 98.A O no hydrogen 2.716 N/A MET 110.A N ALA 60.A O no hydrogen 2.722 N/A GLU 111.A N LYS 95.A O no hydrogen 2.876 N/A MET 118.A N LEU 162.A O no hydrogen 2.946 N/A SER 120.A OG GLU 117.A O no hydrogen 3.019 N/A HIS 121.A N GLU 117.A O no hydrogen 3.505 N/A LEU 122.A N MET 118.A O no hydrogen 2.720 N/A ARG 123.A N PHE 119.A O no hydrogen 2.750 N/A ARG 123.A NH1 GLU 219.A OE1 no hydrogen 2.989 N/A ARG 123.A NH2 GLU 219.A OE1 no hydrogen 3.193 N/A ARG 124.A N SER 120.A O no hydrogen 2.867 N/A ILE 125.A N HIS 121.A O no hydrogen 3.143 N/A GLY 126.A N LEU 122.A O no hydrogen 2.714 N/A PHE 128.A N MET 220.A O no hydrogen 3.032 N/A HIS 132.A N SER 129.A OG no hydrogen 3.201 N/A ALA 133.A N SER 129.A O no hydrogen 2.724 N/A ARG 134.A N GLU 130.A O no hydrogen 2.799 N/A ARG 134.A NH1 TRP 285.A O no hydrogen 2.447 N/A PHE 135.A N PRO 131.A O no hydrogen 3.099 N/A TYR 136.A N HIS 132.A O no hydrogen 3.346 N/A ALA 137.A N ALA 133.A O no hydrogen 2.862 N/A ALA 138.A N ARG 134.A O no hydrogen 2.743 N/A GLN 139.A NE2 PHE 135.A O no hydrogen 3.333 N/A ILE 140.A N TYR 136.A O no hydrogen 3.245 N/A ILE 140.A N ALA 137.A O no hydrogen 2.572 N/A VAL 141.A N ALA 137.A O no hydrogen 2.935 N/A LEU 142.A N ALA 138.A O no hydrogen 3.021 N/A THR 143.A N GLN 139.A O no hydrogen 2.886 N/A THR 143.A OG1 GLN 139.A O no hydrogen 2.653 N/A PHE 144.A N ILE 140.A O no hydrogen 2.888 N/A GLU 145.A N VAL 141.A O no hydrogen 3.082 N/A TYR 146.A N LEU 142.A O no hydrogen 2.960 N/A LEU 147.A N THR 143.A O no hydrogen 2.868 N/A HIS 148.A N PHE 144.A O no hydrogen 2.532 N/A HIS 148.A NE2 LYS 206.A O no hydrogen 3.161 N/A SER 149.A N GLU 145.A O no hydrogen 3.263 N/A SER 149.A OG TYR 146.A O no hydrogen 2.499 N/A LEU 150.A N LEU 147.A O no hydrogen 2.727 N/A ASP 151.A N HIS 148.A O no hydrogen 2.843 N/A LEU 152.A N LEU 147.A O no hydrogen 3.201 N/A ILE 153.A N LYS 179.A O no hydrogen 2.936 N/A TYR 154.A N ASP 209.A OD2 no hydrogen 2.952 N/A TYR 154.A OH THR 173.A O no hydrogen 2.377 N/A TYR 154.A OH ASP 174.A O no hydrogen 3.093 N/A ARG 155.A N ASP 209.A OD1 no hydrogen 3.041 N/A ARG 155.A NE PHE 177.A O no hydrogen 2.541 N/A ARG 155.A NH1 TYR 204.A OH no hydrogen 3.156 N/A ARG 155.A NH2 PHE 177.A O no hydrogen 3.170 N/A LYS 158.A NZ THR 190.A OG1 no hydrogen 3.196 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.425 N/A LEU 162.A N PRO 159.A O no hydrogen 2.704 N/A LEU 163.A N GLN 171.A O no hydrogen 2.996 N/A ILE 164.A N GLY 116.A O no hydrogen 3.419 N/A ASP 165.A N TYR 169.A O no hydrogen 2.747 N/A GLN 167.A N ASP 165.A OD1 no hydrogen 2.800 N/A GLY 168.A N ASP 165.A O no hydrogen 2.663 N/A TYR 169.A N ASP 165.A OD1 no hydrogen 3.093 N/A TYR 169.A OH VAL 299.A O no hydrogen 2.527 N/A ILE 170.A N GLN 139.A OE1 no hydrogen 2.638 N/A GLN 171.A N LEU 163.A O no hydrogen 2.848 N/A GLN 171.A NE2 PRO 91.A O no hydrogen 2.919 N/A VAL 172.A N PHE 92.A O no hydrogen 2.744 N/A THR 173.A N ASN 161.A O no hydrogen 3.175 N/A ALA 178.A N PHE 175.A O no hydrogen 3.040 N/A LYS 179.A N ILE 153.A O no hydrogen 3.276 N/A ARG 180.A NE LEU 150.A O no hydrogen 3.003 N/A VAL 181.A N ASP 151.A O no hydrogen 2.966 N/A THR 185.A N TYR 204.A O no hydrogen 2.810 N/A CYS 188.A SG TYR 204.A OH no hydrogen 3.713 N/A THR 190.A OG1 ASP 156.A OD2 no hydrogen 2.733 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.771 N/A TYR 193.A N THR 190.A O no hydrogen 2.669 N/A TYR 193.A OH GLU 219.A OE2 no hydrogen 2.882 N/A LEU 194.A N PRO 191.A O no hydrogen 3.271 N/A GLU 197.A N GLU 197.A OE2 no hydrogen 2.872 N/A ILE 198.A N ALA 195.A O no hydrogen 3.280 N/A LEU 200.A N PRO 196.A O no hydrogen 2.980 N/A SER 201.A N ILE 198.A O no hydrogen 2.861 N/A LYS 202.A N GLU 197.A O no hydrogen 3.060 N/A TYR 204.A N THR 185.A O no hydrogen 2.922 N/A ALA 207.A N ASN 205.A OD1 no hydrogen 2.978 N/A VAL 208.A N ASN 205.A O no hydrogen 3.250 N/A ASP 209.A N LYS 206.A O no hydrogen 3.133 N/A TRP 211.A N ALA 207.A O no hydrogen 3.263 N/A TRP 211.A N VAL 208.A O no hydrogen 3.128 N/A ALA 212.A N VAL 208.A O no hydrogen 3.015 N/A LEU 213.A N ASP 209.A O no hydrogen 3.155 N/A GLY 214.A N TRP 210.A O no hydrogen 3.479 N/A VAL 215.A N TRP 211.A O no hydrogen 3.030 N/A LEU 216.A N ALA 212.A O no hydrogen 2.634 N/A ILE 217.A N LEU 213.A O no hydrogen 2.602 N/A TYR 218.A N GLY 214.A O no hydrogen 2.691 N/A TYR 218.A OH ARG 245.A O no hydrogen 2.752 N/A GLU 219.A N VAL 215.A O no hydrogen 2.765 N/A MET 220.A N LEU 216.A O no hydrogen 2.848 N/A ALA 221.A N ILE 217.A O no hydrogen 3.029 N/A ALA 222.A N TYR 218.A O no hydrogen 2.709 N/A GLY 223.A N GLU 219.A O no hydrogen 3.026 N/A GLN 234.A N GLN 231.A O no hydrogen 2.879 N/A ILE 235.A N GLN 231.A O no hydrogen 3.385 N/A TYR 236.A N PRO 232.A O no hydrogen 3.108 N/A GLU 237.A N ILE 233.A O no hydrogen 3.328 N/A LYS 238.A N GLN 234.A O no hydrogen 2.981 N/A ILE 239.A N ILE 235.A O no hydrogen 3.030 N/A VAL 240.A N TYR 236.A O no hydrogen 3.131 N/A SER 241.A N GLU 237.A O no hydrogen 3.057 N/A SER 241.A OG LYS 238.A O no hydrogen 2.825 N/A GLY 242.A N LYS 238.A O no hydrogen 3.371 N/A GLY 242.A N ILE 239.A O no hydrogen 2.704 N/A PHE 250.A N PRO 247.A O no hydrogen 2.929 N/A SER 251.A N GLU 130.A OE2 no hydrogen 2.673 N/A SER 251.A OG GLU 130.A OE1 no hydrogen 2.467 N/A SER 251.A OG GLU 130.A OE2 no hydrogen 3.305 N/A LEU 254.A N SER 251.A O no hydrogen 2.834 N/A LEU 254.A N SER 251.A OG no hydrogen 2.801 N/A LYS 255.A N SER 251.A O no hydrogen 3.133 N/A ASP 256.A N SER 252.A O no hydrogen 3.412 N/A LEU 257.A N ASP 253.A O no hydrogen 3.233 N/A LEU 258.A N LEU 254.A O no hydrogen 2.710 N/A ARG 259.A N LYS 255.A O no hydrogen 2.595 N/A ASN 260.A N ASP 256.A O no hydrogen 3.219 N/A ASN 260.A N LEU 257.A O no hydrogen 2.901 N/A LEU 261.A N LEU 257.A O no hydrogen 3.009 N/A LEU 262.A N LEU 258.A O no hydrogen 3.086 N/A GLN 263.A N LEU 261.A O no hydrogen 2.735 N/A THR 267.A N ASP 265.A OD1 no hydrogen 2.982 N/A THR 267.A OG1 ASP 265.A OD1 no hydrogen 2.859 N/A LYS 268.A N ASP 265.A O no hydrogen 3.064 N/A ARG 269.A N ASP 265.A O no hydrogen 3.189 N/A ARG 269.A NE GLN 263.A O no hydrogen 2.851 N/A ARG 269.A NH1 GLU 197.A OE1 no hydrogen 2.954 N/A ARG 269.A NH1 ALA 207.A O no hydrogen 2.915 N/A ARG 269.A NH2 GLU 197.A OE1 no hydrogen 3.229 N/A ARG 269.A NH2 GLU 197.A OE2 no hydrogen 3.168 N/A ARG 269.A NH2 GLN 263.A O no hydrogen 2.878 N/A ASN 272.A ND2 LEU 266.A O no hydrogen 3.387 N/A GLY 276.A N LEU 273.A O no hydrogen 2.991 N/A ASN 278.A ND2 ASN 275.A O no hydrogen 3.249 N/A ASP 279.A N GLY 276.A O no hydrogen 3.495 N/A ILE 280.A N VAL 277.A O no hydrogen 3.373 N/A LYS 281.A N VAL 277.A O no hydrogen 2.769 N/A LYS 281.A NZ GLU 145.A OE1 no hydrogen 2.726 N/A LYS 281.A NZ GLU 145.A OE2 no hydrogen 2.980 N/A ASN 282.A N ASN 278.A O no hydrogen 2.755 N/A HIS 283.A N ILE 280.A O no hydrogen 3.023 N/A HIS 283.A NE2 ASP 256.A OD2 no hydrogen 2.954 N/A TRP 285.A N HIS 283.A ND1 no hydrogen 3.048 N/A TRP 285.A NE1 GLU 130.A OE1 no hydrogen 2.685 N/A PHE 286.A N HIS 283.A O no hydrogen 2.762 N/A ALA 287.A N LYS 284.A O no hydrogen 2.932 N/A TRP 291.A NE1 LYS 281.A O no hydrogen 3.160 N/A ALA 293.A N ASP 290.A O no hydrogen 2.884 N/A ALA 293.A N ASP 290.A OD2 no hydrogen 2.729 N/A ILE 294.A N ASP 290.A O no hydrogen 3.349 N/A TYR 295.A N TRP 291.A O no hydrogen 3.468 N/A GLN 296.A N ILE 292.A O no hydrogen 3.413 N/A LYS 298.A N ALA 293.A O no hydrogen 2.681 N/A VAL 299.A N TYR 169.A OH no hydrogen 2.743 N/A THR 313.A N GLY 311.A O no hydrogen 2.437 N/A TYR 319.A OH LEU 39.A O no hydrogen 3.415 N/A LYS 330.A N ASN 103.A O no hydrogen 2.694 N/A LYS 330.A NZ ASN 328.A O no hydrogen 3.211 N/A GLU 334.A N GLU 334.A OE2 no hydrogen 2.698 N/A PHE 335.A N CYS 331.A O no hydrogen 3.347 N/A THR 336.A N LYS 333.A O no hydrogen 3.231 N/A THR 336.A OG1 GLY 332.A O no hydrogen 2.921 N/A THR 336.A OG1 LYS 333.A O no hydrogen 2.874 N/A PHE 338.A N PHE 335.A O no hydrogen 2.607 N/A