Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 GLN 268.A OE1 no hydrogen 2.728 N/A VAL 8.A N THR 4.A O no hydrogen 2.961 N/A ARG 9.A N GLU 5.A O no hydrogen 2.835 N/A ARG 9.A NE GLU 272.A OE1 no hydrogen 3.013 N/A ARG 9.A NE GLU 272.A OE2 no hydrogen 3.491 N/A ARG 9.A NH2 GLU 272.A OE2 no hydrogen 3.361 N/A LYS 10.A N MET 6.A O no hydrogen 3.327 N/A LYS 10.A N SER 7.A O no hydrogen 3.062 N/A ILE 11.A N VAL 8.A O no hydrogen 3.046 N/A ALA 12.A N VAL 8.A O no hydrogen 3.111 N/A ALA 13.A N ARG 9.A O no hydrogen 2.821 N/A HIS 14.A N LYS 10.A O no hydrogen 2.858 N/A HIS 14.A NE2 GLN 208.A O no hydrogen 2.907 N/A MET 15.A N ILE 11.A O no hydrogen 3.029 N/A LYS 16.A N ALA 12.A O no hydrogen 2.939 N/A LYS 16.A NZ GLU 272.A O no hydrogen 2.868 N/A SER 17.A N ALA 13.A O no hydrogen 3.076 N/A SER 17.A OG ALA 13.A O no hydrogen 2.916 N/A SER 17.A OG HIS 14.A O no hydrogen 3.205 N/A SER 17.A OG ASN 18.A OD1 no hydrogen 2.980 N/A ASN 18.A N HIS 14.A O no hydrogen 2.829 N/A LYS 22.A NZ ASP 103.A OD1 no hydrogen 3.266 N/A VAL 23.A N VAL 104.A O no hydrogen 2.719 N/A ILE 24.A N LEU 210.A O no hydrogen 3.153 N/A PHE 25.A N ARG 107.A O no hydrogen 2.902 N/A MET 26.A N ILE 212.A O no hydrogen 2.934 N/A VAL 27.A N TYR 109.A O no hydrogen 2.849 N/A GLY 28.A N VAL 214.A O no hydrogen 3.065 N/A GLY 30.A N GLY 215.A O no hydrogen 2.827 N/A ILE 31.A N GLY 28.A O no hydrogen 3.173 N/A SER 32.A N ALA 29.A O no hydrogen 3.030 N/A SER 32.A OG ASP 114.A OD1 no hydrogen 2.780 N/A THR 33.A OG1 GLY 30.A O no hydrogen 3.136 N/A SER 34.A OG ASP 263.A OD2 no hydrogen 2.645 N/A CYS 35.A N SER 32.A O no hydrogen 2.941 N/A CYS 35.A SG ARG 88.A O no hydrogen 3.294 N/A GLY 36.A N THR 33.A O no hydrogen 2.980 N/A ILE 37.A N SER 32.A O no hydrogen 3.419 N/A ARG 41.A NH2 GLU 60.A OE1 no hydrogen 2.788 N/A SER 42.A N ASP 39.A OD1 no hydrogen 3.372 N/A SER 42.A OG ASP 39.A OD1 no hydrogen 3.520 N/A SER 42.A OG ASP 39.A OD2 no hydrogen 2.517 N/A GLY 44.A N HIS 49.A ND1 no hydrogen 3.331 N/A THR 45.A N PRO 43.A O no hydrogen 2.868 N/A GLY 46.A N SER 42.A O no hydrogen 2.772 N/A LEU 47.A N ASP 39.A O no hydrogen 2.799 N/A TYR 48.A N PHE 40.A O no hydrogen 3.027 N/A HIS 49.A N GLY 46.A O no hydrogen 2.792 N/A ASN 50.A N LEU 47.A O no hydrogen 2.887 N/A ASN 50.A ND2 GLY 44.A O no hydrogen 3.005 N/A ASN 50.A ND2 GLY 46.A O no hydrogen 2.934 N/A LEU 54.A N LEU 51.A O no hydrogen 3.016 N/A LYS 55.A N ALA 52.A O no hydrogen 3.010 N/A ALA 61.A N TYR 58.A O no hydrogen 3.001 N/A VAL 62.A N PRO 59.A O no hydrogen 3.126 N/A PHE 63.A N GLU 60.A O no hydrogen 3.007 N/A ASP 64.A N ALA 61.A O no hydrogen 3.019 N/A VAL 65.A N PHE 180.A O no hydrogen 3.182 N/A PHE 67.A N ASP 64.A OD1 no hydrogen 3.001 N/A PHE 68.A N ASP 64.A O no hydrogen 2.918 N/A GLN 69.A N VAL 65.A O no hydrogen 3.183 N/A GLN 69.A NE2 GLU 171.A OE1 no hydrogen 3.149 N/A SER 70.A N ASP 66.A O no hydrogen 3.284 N/A SER 70.A OG PHE 67.A O no hydrogen 2.586 N/A ASP 71.A N PHE 67.A O no hydrogen 2.897 N/A LEU 73.A N ASP 71.A OD1 no hydrogen 3.202 N/A TYR 76.A N PRO 72.A O no hydrogen 3.080 N/A THR 77.A N LEU 73.A O no hydrogen 2.912 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.912 N/A LEU 78.A N PRO 74.A O no hydrogen 3.084 N/A ALA 79.A N PHE 75.A O no hydrogen 2.748 N/A LYS 80.A N TYR 76.A O no hydrogen 3.366 N/A LYS 80.A NZ GLU 157.A O no hydrogen 3.387 N/A GLU 81.A N LEU 78.A O no hydrogen 2.929 N/A LEU 82.A N LEU 78.A O no hydrogen 3.347 N/A SER 90.A N HIS 93.A ND1 no hydrogen 2.974 N/A SER 90.A OG ILE 31.A O no hydrogen 3.264 N/A SER 90.A OG HIS 93.A ND1 no hydrogen 2.830 N/A SER 90.A OG ASP 263.A OD1 no hydrogen 3.315 N/A PHE 92.A N ASP 263.A OD1 no hydrogen 3.101 N/A HIS 93.A N SER 90.A OG no hydrogen 3.234 N/A HIS 93.A ND1 SER 90.A OG no hydrogen 2.830 N/A TYR 94.A N SER 90.A O no hydrogen 3.104 N/A LEU 95.A N LYS 91.A O no hydrogen 2.974 N/A LEU 95.A N PHE 92.A O no hydrogen 2.960 N/A LEU 96.A N PHE 92.A O no hydrogen 3.262 N/A LYS 97.A N HIS 93.A O no hydrogen 3.281 N/A LYS 97.A NZ ASP 101.A OD1 no hydrogen 3.297 N/A LYS 97.A NZ ASP 101.A OD2 no hydrogen 2.843 N/A LEU 98.A N TYR 94.A O no hydrogen 2.821 N/A PHE 99.A N LEU 95.A O no hydrogen 2.959 N/A GLN 100.A N LEU 96.A O no hydrogen 3.011 N/A ASP 101.A N LYS 97.A O no hydrogen 2.841 N/A LYS 102.A N LEU 98.A O no hydrogen 3.017 N/A LYS 102.A NZ ASP 278.A OD2 no hydrogen 2.386 N/A ASP 103.A N GLN 100.A O no hydrogen 2.849 N/A VAL 104.A N PHE 99.A O no hydrogen 2.812 N/A LYS 106.A N VAL 23.A O no hydrogen 2.835 N/A ARG 107.A NE ASP 195.A OD2 no hydrogen 2.938 N/A ARG 107.A NH1 ASP 125.A O no hydrogen 2.811 N/A ARG 107.A NH2 ASP 195.A OD1 no hydrogen 2.851 N/A VAL 108.A N LEU 126.A O no hydrogen 2.827 N/A TYR 109.A N PHE 25.A O no hydrogen 2.799 N/A TYR 109.A OH ASP 195.A OD2 no hydrogen 2.607 N/A THR 110.A N ILE 128.A O no hydrogen 2.889 N/A THR 110.A OG1 GLU 117.A OE1 no hydrogen 2.767 N/A GLN 111.A N VAL 27.A O no hydrogen 3.113 N/A GLN 111.A NE2 VAL 27.A O no hydrogen 3.284 N/A GLN 111.A NE2 THR 216.A OG1 no hydrogen 2.833 N/A ASN 112.A N THR 110.A OG1 no hydrogen 3.047 N/A ASN 112.A ND2 GLY 28.A O no hydrogen 3.035 N/A LEU 116.A N ASP 114.A OD2 no hydrogen 2.858 N/A GLU 117.A N GLU 117.A OE2 no hydrogen 2.894 N/A ARG 118.A NH1 ASP 124.A OD2 no hydrogen 3.118 N/A ARG 118.A NH2 GLU 129.A OE1 no hydrogen 3.254 N/A ARG 118.A NH2 GLU 129.A OE2 no hydrogen 3.201 N/A GLN 119.A N THR 115.A O no hydrogen 3.097 N/A ALA 120.A N LEU 116.A O no hydrogen 2.990 N/A ALA 120.A N GLU 117.A O no hydrogen 3.159 N/A GLY 121.A N ARG 118.A O no hydrogen 2.927 N/A VAL 122.A N GLU 117.A O no hydrogen 3.135 N/A LEU 126.A N LYS 123.A O no hydrogen 2.956 N/A ILE 127.A N ASP 124.A O no hydrogen 3.160 N/A ILE 128.A N VAL 108.A O no hydrogen 2.956 N/A ALA 130.A N THR 110.A O no hydrogen 2.902 N/A GLY 132.A N GLU 129.A O no hydrogen 3.065 N/A SER 133.A N ALA 176.A O no hydrogen 3.130 N/A ALA 135.A N SER 133.A OG no hydrogen 3.125 N/A CYS 137.A N TYR 146.A O no hydrogen 2.838 N/A CYS 137.A SG PRO 147.A O no hydrogen 3.794 N/A HIS 138.A N LYS 174.A O no hydrogen 2.893 N/A HIS 138.A ND1 CYS 139.A O no hydrogen 3.256 N/A CYS 139.A N LYS 144.A O no hydrogen 2.806 N/A ILE 140.A N LEU 172.A O no hydrogen 3.036 N/A GLY 143.A N CYS 139.A O no hydrogen 3.024 N/A LYS 144.A NZ ASP 167.A OD1 no hydrogen 2.619 N/A LYS 144.A NZ ASP 167.A OD2 no hydrogen 3.409 N/A TYR 146.A N CYS 137.A O no hydrogen 2.854 N/A LYS 152.A N PRO 148.A O no hydrogen 3.059 N/A SER 153.A N GLN 149.A O no hydrogen 2.984 N/A LYS 154.A NZ ASP 162.A O no hydrogen 2.779 N/A LEU 155.A N PHE 151.A O no hydrogen 3.064 N/A ALA 156.A N LYS 152.A O no hydrogen 3.356 N/A ALA 156.A N SER 153.A O no hydrogen 3.237 N/A GLU 157.A N LYS 154.A O no hydrogen 2.973 N/A VAL 164.A N TYR 76.A OH no hydrogen 3.178 N/A CYS 166.A N GLU 171.A O no hydrogen 2.736 N/A ASP 167.A N TYR 146.A OH no hydrogen 2.947 N/A GLY 170.A N CYS 166.A O no hydrogen 2.944 N/A VAL 173.A N VAL 164.A O no hydrogen 2.998 N/A LYS 174.A N HIS 138.A O no hydrogen 3.000 N/A LYS 174.A NZ HIS 138.A NE2 no hydrogen 2.935 N/A LYS 174.A NZ PRO 175.A O no hydrogen 3.276 N/A LYS 174.A NZ ILE 177.A O no hydrogen 2.803 N/A LYS 174.A NZ GLU 182.A OE1 no hydrogen 2.791 N/A LYS 174.A NZ GLU 182.A OE2 no hydrogen 3.312 N/A ALA 176.A N HIS 136.A O no hydrogen 2.765 N/A ILE 177.A N PRO 175.A O no hydrogen 2.686 N/A VAL 178.A N HIS 131.A O no hydrogen 2.840 N/A PHE 179.A N GLU 182.A OE1 no hydrogen 2.880 N/A PHE 180.A N PHE 63.A O no hydrogen 2.773 N/A GLU 182.A N PHE 179.A O no hydrogen 2.991 N/A PHE 188.A N PRO 185.A O no hydrogen 2.986 N/A GLU 190.A N ASP 186.A O no hydrogen 3.137 N/A THR 191.A N SER 187.A O no hydrogen 2.911 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.670 N/A THR 191.A OG1 PHE 188.A O no hydrogen 2.899 N/A TRP 192.A N PHE 188.A O no hydrogen 2.999 N/A TRP 192.A NE1 GLU 229.A OE1 no hydrogen 2.732 N/A LEU 193.A N SER 189.A O no hydrogen 2.858 N/A ASN 194.A N GLU 190.A O no hydrogen 3.134 N/A ASP 195.A N THR 191.A O no hydrogen 2.788 N/A SER 196.A N TRP 192.A O no hydrogen 2.764 N/A SER 196.A OG TRP 192.A O no hydrogen 2.778 N/A GLU 197.A N LEU 193.A O no hydrogen 3.017 N/A TRP 198.A N ASN 194.A O no hydrogen 2.951 N/A LEU 199.A N ASP 195.A O no hydrogen 2.850 N/A ARG 200.A N SER 196.A O no hydrogen 3.055 N/A ARG 200.A NH1 GLU 197.A OE1 no hydrogen 3.269 N/A GLU 201.A N GLU 197.A O no hydrogen 2.938 N/A LYS 202.A N TRP 198.A O no hydrogen 3.005 N/A ILE 203.A N LEU 199.A O no hydrogen 3.063 N/A THR 204.A N ARG 200.A O no hydrogen 2.597 N/A GLN 208.A NE2 LYS 233.A O no hydrogen 2.805 N/A VAL 211.A N LYS 235.A O no hydrogen 3.045 N/A ILE 212.A N ILE 24.A O no hydrogen 2.840 N/A VAL 213.A N VAL 237.A O no hydrogen 2.755 N/A VAL 214.A N MET 26.A O no hydrogen 2.854 N/A GLY 215.A N CYS 239.A O no hydrogen 3.105 N/A LEU 218.A N THR 216.A OG1 no hydrogen 3.199 N/A TYR 221.A OH GLU 228.A OE1 no hydrogen 2.514 N/A ALA 224.A N VAL 220.A O no hydrogen 2.890 N/A SER 225.A N PRO 222.A O no hydrogen 2.942 N/A SER 225.A OG PRO 222.A O no hydrogen 2.547 N/A LEU 226.A N PHE 223.A O no hydrogen 3.010 N/A GLU 229.A N SER 225.A O no hydrogen 3.019 N/A ILE 230.A N PRO 227.A O no hydrogen 3.308 N/A LYS 233.A NZ ILE 203.A O no hydrogen 3.224 N/A VAL 234.A N PRO 231.A O no hydrogen 2.999 N/A LYS 235.A N PRO 209.A O no hydrogen 3.176 N/A LYS 235.A NZ THR 254.A O no hydrogen 2.806 N/A ARG 236.A NE ASP 255.A OD1 no hydrogen 2.937 N/A ARG 236.A NH1 PRO 227.A O no hydrogen 2.908 N/A ARG 236.A NH1 ASP 246.A OD2 no hydrogen 2.769 N/A ARG 236.A NH2 ASP 246.A O no hydrogen 3.527 N/A ARG 236.A NH2 ASP 246.A OD2 no hydrogen 3.499 N/A ARG 236.A NH2 ASP 255.A OD1 no hydrogen 3.521 N/A ARG 236.A NH2 ASP 255.A OD2 no hydrogen 2.752 N/A VAL 237.A N VAL 211.A O no hydrogen 2.875 N/A LEU 238.A N LEU 256.A O no hydrogen 2.934 N/A CYS 239.A N VAL 213.A O no hydrogen 2.804 N/A CYS 239.A SG GLN 260.A O no hydrogen 3.497 N/A ASN 240.A N VAL 258.A O no hydrogen 3.107 N/A PHE 247.A N VAL 244.A O no hydrogen 3.069 N/A LYS 248.A N GLY 245.A O no hydrogen 2.984 N/A LYS 248.A NZ THR 243.A O no hydrogen 3.521 N/A ALA 249.A N GLY 245.A O no hydrogen 2.853 N/A ASN 250.A N ASP 246.A O no hydrogen 3.020 N/A ASN 250.A ND2 ASP 246.A OD1 no hydrogen 2.859 N/A LYS 251.A NZ ASP 255.A O no hydrogen 3.484 N/A ARG 252.A N ASP 255.A OD2 no hydrogen 2.810 N/A ARG 252.A NH1 ILE 230.A O no hydrogen 2.883 N/A ARG 252.A NH2 ILE 230.A O no hydrogen 3.123 N/A ASP 255.A N ARG 252.A O no hydrogen 2.959 N/A LEU 256.A N ARG 236.A O no hydrogen 3.034 N/A VAL 258.A N LEU 238.A O no hydrogen 2.789 N/A HIS 259.A ND1 ASN 240.A O no hydrogen 3.178 N/A GLN 260.A NE2 THR 4.A OG1 no hydrogen 2.980 N/A TYR 261.A N GLN 260.A OE1 no hydrogen 2.885 N/A SER 262.A OG GLY 30.A O no hydrogen 3.353 N/A GLU 264.A N GLU 264.A OE2 no hydrogen 2.718 N/A PHE 265.A N TYR 261.A O no hydrogen 2.907 N/A ALA 266.A N SER 262.A O no hydrogen 2.961 N/A GLU 267.A N ASP 263.A O no hydrogen 2.934 N/A GLN 268.A N GLU 264.A O no hydrogen 2.953 N/A LEU 269.A N PHE 265.A O no hydrogen 2.856 N/A VAL 270.A N ALA 266.A O no hydrogen 2.942 N/A GLU 271.A N GLU 267.A O no hydrogen 3.085 N/A GLU 272.A N GLN 268.A O no hydrogen 2.913 N/A LEU 273.A N LEU 269.A O no hydrogen 2.928 N/A GLY 274.A N VAL 270.A O no hydrogen 2.965 N/A GLY 274.A N GLU 271.A O no hydrogen 3.172 N/A TRP 275.A N VAL 270.A O no hydrogen 3.220 N/A GLN 276.A N GLN 276.A OE1 no hydrogen 2.749 N/A GLN 276.A NE2 GLU 271.A OE1 no hydrogen 2.578 N/A PHE 279.A N TRP 275.A O no hydrogen 3.054 N/A GLU 280.A N GLN 276.A O no hydrogen 2.902 N/A LYS 281.A N GLU 277.A O no hydrogen 3.416 N/A ILE 282.A N PHE 279.A O no hydrogen 3.007 N/A LEU 283.A N PHE 279.A O no hydrogen 3.083 N/A THR 284.A N GLU 280.A O no hydrogen 3.214 N/A THR 284.A OG1 GLU 280.A O no hydrogen 2.920 N/A ALA 285.A N ILE 282.A O no hydrogen 3.094 N/A