Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 24.A O.A no hydrogen 2.455 N/A LEU 2.A N HIS 25.A ND1.A no hydrogen 3.497 N/A ARG 3.A N ASP 72.A OD2 no hydrogen 2.962 N/A ARG 3.A NE ASN 70.A O no hydrogen 2.974 N/A ARG 3.A NH2 LEU 69.A O no hydrogen 2.732 N/A ILE 4.A N GLU 26.A O no hydrogen 2.805 N/A VAL 5.A N LEU 73.A O no hydrogen 2.952 N/A PHE 6.A N ALA 29.A O no hydrogen 3.064 N/A ALA 7.A N VAL 74.A O no hydrogen 2.832 N/A GLY 8.A N TYR 31.A O no hydrogen 2.939 N/A THR 9.A N ALA 77.A O no hydrogen 3.133 N/A THR 9.A OG1 GLN 33.A OE1.B no hydrogen 3.002 N/A ALA 14.A N PRO 10.A O no hydrogen 3.008 N/A ARG 15.A N ASP 11.A O no hydrogen 2.978 N/A ARG 15.A NE ASP 11.A OD1 no hydrogen 2.875 N/A ARG 15.A NH2 ASP 11.A OD2 no hydrogen 2.785 N/A HIS 16.A N ALA 13.A O no hydrogen 2.953 N/A HIS 16.A ND1 PHE 12.A O no hydrogen 2.802 N/A LEU 17.A N ALA 13.A O no hydrogen 3.027 N/A ALA 18.A N ALA 14.A O no hydrogen 2.887 N/A ALA 19.A N ARG 15.A O no hydrogen 3.207 N/A LEU 20.A N HIS 16.A O no hydrogen 2.959 N/A LEU 21.A N LEU 17.A O no hydrogen 2.839 N/A SER 22.A N.A ALA 18.A O no hydrogen 3.160 N/A SER 22.A N.B ALA 18.A O no hydrogen 3.035 N/A SER 22.A OG.A ALA 18.A O no hydrogen 3.478 N/A SER 23.A N.A LEU 20.A O no hydrogen 2.917 N/A SER 23.A N.B ALA 19.A O no hydrogen 3.207 N/A SER 23.A OG.A ALA 19.A O no hydrogen 2.652 N/A HIS 25.A N.B LEU 20.A O no hydrogen 3.343 N/A GLU 26.A N.A LEU 2.A O no hydrogen 3.038 N/A ILE 28.A N ILE 4.A O no hydrogen 2.957 N/A VAL 30.A N PRO 50.A O no hydrogen 2.877 N/A TYR 31.A N PHE 6.A O no hydrogen 2.788 N/A THR 32.A N TYR 52.A O no hydrogen 3.040 N/A THR 32.A OG1 GLY 8.A O no hydrogen 2.767 N/A THR 32.A OG1 SER 38.A OG no hydrogen 2.739 N/A GLN 33.A N THR 9.A OG1 no hydrogen 3.268 N/A GLU 35.A N THR 36.A O no hydrogen 3.005 N/A SER 38.A OG THR 32.A OG1 no hydrogen 2.739 N/A LYS 41.A N SER 38.A OG no hydrogen 2.946 N/A THR 42.A N SER 38.A O no hydrogen 3.040 N/A THR 42.A OG1 SER 38.A O no hydrogen 3.412 N/A LEU 43.A N PRO 39.A O no hydrogen 3.096 N/A ALA 44.A N VAL 40.A O no hydrogen 3.018 N/A LEU 45.A N LYS 41.A O no hydrogen 2.982 N/A GLU 46.A N THR 42.A O no hydrogen 3.155 N/A HIS 47.A N LEU 43.A O no hydrogen 3.341 N/A HIS 47.A N ALA 44.A O no hydrogen 3.141 N/A HIS 47.A ND1 LEU 43.A O no hydrogen 3.045 N/A ASN 48.A N LEU 45.A O no hydrogen 3.010 N/A VAL 49.A N ALA 44.A O no hydrogen 2.953 N/A TYR 52.A N VAL 30.A O no hydrogen 2.760 N/A LYS 58.A N ASN 56.A OD1 no hydrogen 3.290 N/A SER 62.A N SER 59.A OG no hydrogen 3.013 N/A SER 62.A OG SER 59.A O no hydrogen 2.821 N/A LYS 63.A NZ PHE 57.A O no hydrogen 2.794 N/A LYS 63.A NZ SER 59.A O no hydrogen 3.222 N/A GLN 64.A N ASP 60.A O no hydrogen 2.974 N/A GLN 65.A N GLU 61.A O no hydrogen 2.992 N/A LEU 66.A N SER 62.A O no hydrogen 3.329 N/A ALA 67.A N LYS 63.A O no hydrogen 2.957 N/A ALA 68.A N GLN 64.A O no hydrogen 3.000 N/A LEU 69.A N LEU 66.A O no hydrogen 3.089 N/A ASN 70.A N ALA 67.A O no hydrogen 3.126 N/A ASP 72.A N ARG 3.A O no hydrogen 2.896 N/A LEU 73.A N ARG 3.A O no hydrogen 3.315 N/A VAL 75.A N ILE 95.A O no hydrogen 2.783 N/A VAL 76.A N ALA 7.A O no hydrogen 2.878 N/A GLY 79.A N GLN 33.A OE1.B no hydrogen 3.170 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 2.869 N/A LEU 87.A N PRO 83.A O no hydrogen 2.923 N/A ASP 88.A N LYS 84.A O no hydrogen 2.832 N/A THR 89.A N VAL 86.A O no hydrogen 2.902 N/A THR 89.A OG1 VAL 85.A O no hydrogen 2.740 N/A LYS 91.A N ALA 71.A O no hydrogen 3.015 N/A LEU 92.A N ASP 72.A O no hydrogen 2.699 N/A GLY 93.A N PRO 90.A O no hydrogen 3.015 N/A CYS 94.A SG VAL 86.A O no hydrogen 4.002 N/A CYS 94.A SG LEU 87.A O no hydrogen 3.636 N/A ASN 96.A ND2 VAL 75.A O no hydrogen 2.895 N/A VAL 97.A N VAL 75.A O no hydrogen 3.425 N/A HIS 98.A N THR 125.A O no hydrogen 2.902 N/A HIS 98.A NE2 TRP 105.A O no hydrogen 2.769 N/A SER 100.A OG ARG 104.A O no hydrogen 2.636 N/A SER 100.A OG TRP 105.A O no hydrogen 3.442 N/A LEU 102.A N THR 125.A OG1 no hydrogen 3.096 N/A ARG 104.A N ILE 101.A O no hydrogen 3.149 N/A ARG 104.A NE ASP 119.A OD2 no hydrogen 2.868 N/A ARG 104.A NH1 ASP 119.A OD1 no hydrogen 2.885 N/A TRP 105.A N ASN 186.A OD1 no hydrogen 2.781 N/A TRP 105.A NE1 ASP 119.A OD2 no hydrogen 2.912 N/A ARG 106.A N ASN 186.A O no hydrogen 2.868 N/A ARG 106.A NE GLN 180.A OE1 no hydrogen 2.989 N/A ARG 106.A NH1 ASP 182.A OD1 no hydrogen 3.172 N/A ARG 106.A NH1 TYR 187.A OH no hydrogen 3.242 N/A ARG 106.A NH2 GLN 180.A OE1 no hydrogen 2.824 N/A ARG 106.A NH2 ASP 182.A OD1 no hydrogen 2.934 N/A GLY 107.A N ASP 132.A OD2 no hydrogen 2.795 N/A ALA 109.A N ALA 188.A O no hydrogen 3.188 N/A GLN 112.A N GLN 112.A OE1 no hydrogen 2.701 N/A ARG 113.A N ALA 109.A O no hydrogen 2.965 N/A ARG 113.A NE HIS 189.A O no hydrogen 2.773 N/A ARG 113.A NH1 GLU 195.A OE2 no hydrogen 2.815 N/A ARG 113.A NH2 HIS 189.A O no hydrogen 3.152 N/A ARG 113.A NH2 LYS 190.A O no hydrogen 3.007 N/A ARG 113.A NH2 GLU 195.A OE1 no hydrogen 2.888 N/A ARG 113.A NH2 GLU 195.A OE2 no hydrogen 3.523 N/A SER 114.A N PRO 110.A O no hydrogen 3.032 N/A SER 114.A OG PRO 110.A O no hydrogen 3.440 N/A SER 114.A OG ILE 111.A O no hydrogen 2.841 N/A ILE 115.A N ILE 111.A O no hydrogen 3.357 N/A TRP 116.A N GLN 112.A O no hydrogen 2.901 N/A ALA 117.A N ARG 113.A O no hydrogen 2.846 N/A GLY 118.A N ILE 115.A O no hydrogen 3.083 N/A ASP 119.A N SER 114.A O no hydrogen 3.048 N/A THR 122.A N LEU 141.A O no hydrogen 2.950 N/A VAL 124.A N ALA 139.A O no hydrogen 2.948 N/A THR 125.A N HIS 98.A O no hydrogen 2.875 N/A THR 125.A OG1 SER 100.A O no hydrogen 2.699 N/A ILE 126.A N LYS 137.A O no hydrogen 2.812 N/A GLN 127.A N ASP 135.A O no hydrogen 2.832 N/A GLN 127.A NE2 LEU 92.A O no hydrogen 3.127 N/A THR 133.A OG1 VAL 129.A O no hydrogen 3.006 N/A LYS 137.A N ILE 126.A O no hydrogen 3.372 N/A ALA 139.A N VAL 124.A O no hydrogen 2.965 N/A THR 140.A OG1 GLU 121.A OE1 no hydrogen 3.563 N/A LEU 141.A N THR 122.A O no hydrogen 2.921 N/A ILE 143.A N SER 120.A O no hydrogen 3.026 N/A GLU 144.A N ASP 147.A OD2 no hydrogen 2.840 N/A ASP 147.A N GLU 144.A O no hydrogen 2.925 N/A THR 148.A N SER 151.A OG no hydrogen 2.905 N/A SER 149.A N ARG 212.A O no hydrogen 3.107 N/A SER 149.A OG ALA 213.A O no hydrogen 2.654 N/A ALA 150.A N ASN 215.A O no hydrogen 3.225 N/A SER 151.A N THR 148.A OG1 no hydrogen 2.989 N/A SER 151.A OG ASP 147.A OD1 no hydrogen 2.615 N/A SER 151.A OG THR 148.A O no hydrogen 3.277 N/A TYR 152.A OH ASP 11.A OD2 no hydrogen 2.614 N/A ASP 153.A N ALA 150.A O no hydrogen 3.075 N/A LYS 154.A N SER 151.A O no hydrogen 3.167 N/A LYS 154.A NZ GLU 144.A OE2.B no hydrogen 3.206 N/A LYS 154.A NZ ASP 147.A OD1 no hydrogen 3.220 N/A LYS 154.A NZ ASP 147.A OD2 no hydrogen 2.785 N/A ALA 156.A N TYR 152.A O no hydrogen 2.785 N/A GLU 157.A N LYS 154.A O no hydrogen 3.082 N/A LEU 158.A N LYS 154.A O no hydrogen 2.926 N/A GLY 159.A N LEU 155.A O no hydrogen 2.922 N/A ALA 162.A N LEU 158.A O no hydrogen 2.881 N/A LEU 163.A N GLY 159.A O no hydrogen 2.884 N/A LEU 164.A N PRO 160.A O no hydrogen 2.978 N/A GLU 165.A N GLN 161.A O no hydrogen 3.152 N/A CYS 166.A N ALA 162.A O no hydrogen 2.831 N/A LEU 167.A N LEU 163.A O no hydrogen 2.762 N/A GLN 168.A N LEU 164.A O no hydrogen 3.100 N/A GLN 168.A NE2.A GLU 24.A OE2.A no hydrogen 2.393 N/A GLN 168.A NE2.B ASP 169.A OD1 no hydrogen 3.014 N/A ASP 169.A N GLU 165.A O no hydrogen 3.276 N/A ILE 170.A N CYS 166.A O no hydrogen 2.937 N/A ALA 171.A N LEU 167.A O no hydrogen 2.911 N/A GLN 172.A N GLN 168.A O no hydrogen 2.990 N/A GLN 172.A NE2 GLN 168.A OE1.A no hydrogen 2.916 N/A GLY 173.A N ILE 170.A O no hydrogen 3.051 N/A THR 174.A N ASP 169.A O no hydrogen 2.883 N/A THR 174.A OG1 ASP 169.A O no hydrogen 3.336 N/A THR 174.A OG1 ASP 169.A OD1 no hydrogen 3.441 N/A GLN 180.A NE2 ASP 132.A O no hydrogen 2.985 N/A GLN 180.A NE2 GLY 134.A O no hydrogen 2.738 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 3.027 N/A LEU 184.A N ASP 181.A O no hydrogen 3.004 N/A ALA 185.A N ASP 182.A O no hydrogen 3.054 N/A ASN 186.A N PRO 103.A O no hydrogen 3.389 N/A ALA 188.A N ARG 106.A O no hydrogen 2.788 N/A GLU 194.A N GLU 194.A OE1.A no hydrogen 2.844 N/A GLU 195.A N SER 192.A OG no hydrogen 3.106 N/A ALA 196.A N SER 192.A O no hydrogen 3.234 N/A ARG 197.A N GLU 194.A O no hydrogen 3.399 N/A ARG 197.A NH2 SER 297.A OXT no hydrogen 3.023 N/A ILE 198.A N HIS 220.A O no hydrogen 2.827 N/A TRP 200.A NE1 SER 297.A O no hydrogen 3.003 N/A SER 201.A N ASN 199.A OD1 no hydrogen 2.964 N/A SER 201.A OG.B ASN 199.A OD1 no hydrogen 2.646 N/A ASP 202.A N ASN 199.A O no hydrogen 2.898 N/A ALA 204.A N GLN 261.A O no hydrogen 2.929 N/A ILE 207.A N ALA 203.A O no hydrogen 3.078 N/A GLU 208.A N ALA 204.A O no hydrogen 2.900 N/A ARG 209.A N THR 205.A O no hydrogen 3.103 N/A ARG 209.A NE.A TRP 116.A O no hydrogen 2.963 N/A CYS 210.A N HIS 206.A O no hydrogen 3.029 N/A CYS 210.A SG HIS 206.A NE2 no hydrogen 3.597 N/A CYS 210.A SG HIS 206.A O no hydrogen 3.428 N/A ILE 211.A N ILE 207.A O no hydrogen 2.869 N/A ARG 212.A N GLU 208.A O no hydrogen 3.234 N/A ARG 212.A NE GLU 208.A OE1.A no hydrogen 3.428 N/A ARG 212.A NE GLU 208.A OE2.A no hydrogen 2.767 N/A ARG 212.A NE GLU 208.A OE2.B no hydrogen 3.387 N/A ARG 212.A NH1 ASP 147.A O no hydrogen 2.771 N/A ARG 212.A NH2 GLU 208.A OE1.A no hydrogen 3.175 N/A ALA 213.A N ARG 209.A O no hydrogen 2.839 N/A PHE 214.A N CYS 210.A O no hydrogen 2.794 N/A ASN 215.A N ARG 212.A O no hydrogen 3.344 N/A HIS 220.A N ALA 196.A O no hydrogen 3.073 N/A HIS 220.A NE2 LYS 193.A O no hydrogen 2.975 N/A PHE 221.A N ILE 228.A O no hydrogen 3.000 N/A GLU 222.A N SER 297.A O no hydrogen 3.439 N/A VAL 223.A N ASN 226.A O no hydrogen 2.884 N/A ASN 226.A N VAL 223.A O no hydrogen 2.804 N/A ILE 228.A N PHE 221.A O no hydrogen 2.827 N/A LYS 229.A N GLN 270.A O no hydrogen 2.983 N/A VAL 230.A N SER 219.A O no hydrogen 2.864 N/A TRP 231.A N SER 268.A O no hydrogen 2.960 N/A TRP 231.A NE1 GLN 270.A OE1 no hydrogen 2.912 N/A GLN 232.A N SER 268.A O no hydrogen 3.240 N/A ARG 234.A N VAL 265.A O no hydrogen 3.041 N/A ARG 234.A NH1 SER 253.A O no hydrogen 3.103 N/A ARG 234.A NH1 GLU 267.A OE2 no hydrogen 2.778 N/A ARG 234.A NH2 SER 253.A O no hydrogen 3.398 N/A GLU 236.A N VAL 263.A O no hydrogen 2.843 N/A ARG 238.A N ASP 262.A OD1 no hydrogen 3.446 N/A THR 241.A N GLN 242.A OE1.A no hydrogen 3.181 N/A GLY 245.A N ALA 258.A O no hydrogen 2.765 N/A THR 246.A N THR 243.A O no hydrogen 3.013 N/A THR 246.A OG1 THR 243.A O no hydrogen 2.725 N/A ILE 247.A N SER 294.A O no hydrogen 2.829 N/A ILE 248.A N TYR 256.A O no hydrogen 2.796 N/A GLN 249.A NE2 ASP 251.A OD2 no hydrogen 2.937 N/A ASP 251.A N GLY 254.A O no hydrogen 2.964 N/A SER 253.A N ASP 251.A OD1 no hydrogen 2.737 N/A SER 253.A OG ASP 251.A OD1 no hydrogen 2.489 N/A SER 253.A OG TYR 256.A OH no hydrogen 2.782 N/A GLY 254.A N ASP 251.A O no hydrogen 2.916 N/A ILE 255.A N LEU 266.A O no hydrogen 3.139 N/A TYR 256.A N GLN 249.A O no hydrogen 2.782 N/A TYR 256.A OH SER 253.A OG no hydrogen 2.782 N/A VAL 257.A N LEU 264.A O no hydrogen 2.832 N/A ALA 258.A N THR 246.A O no hydrogen 2.850 N/A THR 259.A N ASP 262.A O no hydrogen 3.343 N/A THR 259.A OG1 ASP 202.A O no hydrogen 3.487 N/A THR 259.A OG1 ASP 262.A O no hydrogen 2.722 N/A GLY 260.A N TRP 200.A O no hydrogen 3.123 N/A GLY 260.A N ASP 202.A O no hydrogen 2.993 N/A GLN 261.A N THR 259.A OG1 no hydrogen 3.037 N/A GLN 261.A NE2.B ASP 262.A OD1 no hydrogen 3.452 N/A VAL 263.A N GLU 236.A O no hydrogen 2.991 N/A LEU 264.A N VAL 257.A O no hydrogen 2.983 N/A VAL 265.A N ARG 234.A O no hydrogen 2.731 N/A LEU 266.A N ILE 255.A O no hydrogen 2.793 N/A GLU 267.A N GLN 232.A O no hydrogen 2.923 N/A SER 268.A N GLN 232.A O no hydrogen 3.154 N/A LEU 269.A N LEU 277.A O no hydrogen 2.955 N/A GLN 270.A N LYS 229.A O no hydrogen 2.748 N/A GLN 270.A NE2 LYS 274.A O no hydrogen 2.937 N/A LYS 274.A N ILE 271.A O no hydrogen 3.116 N/A LEU 277.A N LEU 269.A O no hydrogen 2.927 N/A VAL 279.A N GLU 267.A O no hydrogen 3.017 N/A ILE 282.A N PRO 278.A O no hydrogen 3.280 N/A LEU 283.A N VAL 279.A O no hydrogen 2.886 N/A ASN 284.A N GLN 280.A O no hydrogen 3.315 N/A ALA 285.A N ASP 281.A O no hydrogen 3.266 N/A ARG 286.A N ILE 282.A O no hydrogen 2.856 N/A TRP 289.A N ARG 286.A O no hydrogen 3.051 N/A PHE 290.A N ALA 287.A O no hydrogen 3.378 N/A GLY 293.A N ILE 247.A O no hydrogen 2.787 N/A SER 294.A N SER 291.A O no hydrogen 3.042 N/A SER 294.A OG SER 291.A O no hydrogen 2.566 N/A LEU 296.A N GLY 245.A O no hydrogen 2.795 N/A SER 297.A N GLU 222.A O no hydrogen 3.304 N/A SER 297.A OG.B GLU 222.A O no hydrogen 3.063 N/A