Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.844 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.002 N/A LEU 5.A N CYS 101.A O no hydrogen 3.091 N/A ARG 6.A N TYR 27.A O no hydrogen 2.933 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.620 N/A TYR 7.A N SER 99.A O no hydrogen 2.680 N/A PHE 8.A N VAL 25.A O no hydrogen 2.695 N/A VAL 9.A N VAL 97.A O no hydrogen 2.925 N/A THR 10.A N MET 23.A O no hydrogen 2.743 N/A ALA 11.A N ILE 95.A O no hydrogen 2.924 N/A VAL 12.A N ARG 21.A O no hydrogen 2.871 N/A SER 13.A N HIS 93.A O no hydrogen 2.881 N/A SER 13.A OG HIS 93.A O no hydrogen 3.206 N/A ARG 14.A NH1 SER 92.A OG no hydrogen 2.883 N/A ARG 21.A N VAL 12.A O no hydrogen 2.780 N/A TYR 22.A N SER 38.A OG no hydrogen 2.630 N/A TYR 22.A OH GLU 24.A OE1 no hydrogen 2.356 N/A MET 23.A N THR 10.A O no hydrogen 2.765 N/A GLU 24.A N PHE 36.A O no hydrogen 2.885 N/A VAL 25.A N PHE 8.A O no hydrogen 3.041 N/A GLY 26.A N VAL 34.A O no hydrogen 3.113 N/A TYR 27.A N ARG 6.A O no hydrogen 2.733 N/A VAL 28.A N THR 31.A O no hydrogen 2.822 N/A ASP 29.A N SER 4.A O no hydrogen 2.895 N/A THR 31.A N VAL 28.A O no hydrogen 3.104 N/A PHE 33.A N GLY 26.A O no hydrogen 3.360 N/A ARG 35.A N GLU 46.A O no hydrogen 2.986 N/A SER 38.A N TYR 22.A O no hydrogen 2.906 N/A SER 38.A OG TYR 22.A O no hydrogen 3.175 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.724 N/A ALA 40.A N ASP 37.A O no hydrogen 2.928 N/A ARG 44.A NH1 ASN 42.A O no hydrogen 2.853 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.044 N/A TYR 45.A OH GLU 24.A OE2 no hydrogen 2.980 N/A GLU 46.A N ARG 35.A O no hydrogen 2.820 N/A ARG 48.A N PHE 33.A O no hydrogen 2.704 N/A MET 52.A N ALA 49.A O no hydrogen 2.819 N/A GLU 53.A N ARG 50.A O no hydrogen 2.995 N/A TYR 59.A N GLY 56.A O no hydrogen 3.102 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.633 N/A GLU 61.A N PRO 57.A O no hydrogen 3.017 N/A ARG 62.A N GLU 58.A O no hydrogen 3.279 N/A GLU 63.A N TYR 59.A O no hydrogen 3.160 N/A THR 64.A N TRP 60.A O no hydrogen 3.075 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.701 N/A GLN 65.A N GLU 61.A O no hydrogen 3.012 N/A LYS 66.A N ARG 62.A O no hydrogen 3.072 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 3.083 N/A ALA 67.A N GLU 63.A O no hydrogen 2.900 N/A LYS 68.A N THR 64.A O no hydrogen 2.713 N/A GLY 69.A N GLN 65.A O no hydrogen 2.612 N/A ASN 70.A N LYS 66.A O no hydrogen 2.687 N/A GLU 71.A N ALA 67.A O no hydrogen 2.725 N/A SER 73.A N GLY 69.A O no hydrogen 3.344 N/A SER 73.A OG ASN 70.A O no hydrogen 3.276 N/A PHE 74.A N ASN 70.A O no hydrogen 2.763 N/A ARG 75.A N GLN 72.A O no hydrogen 3.097 N/A ASP 77.A N SER 73.A O no hydrogen 3.465 N/A LEU 78.A N PHE 74.A O no hydrogen 3.120 N/A THR 80.A N VAL 76.A O no hydrogen 2.442 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.210 N/A LEU 81.A N ASP 77.A O no hydrogen 2.875 N/A LEU 82.A N ARG 79.A O no hydrogen 2.939 N/A GLY 83.A N ARG 79.A O no hydrogen 3.313 N/A TYR 84.A N THR 80.A O no hydrogen 3.168 N/A TYR 85.A N LEU 81.A O no hydrogen 3.135 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.413 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.725 N/A GLN 87.A N LEU 82.A O no hydrogen 2.793 N/A HIS 93.A N SER 13.A OG no hydrogen 2.967 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 3.037 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.963 N/A ILE 95.A N ALA 11.A O no hydrogen 3.292 N/A GLN 96.A N ALA 117.A O no hydrogen 2.842 N/A VAL 97.A N VAL 9.A O no hydrogen 3.023 N/A ILE 98.A N GLN 115.A O no hydrogen 2.934 N/A SER 99.A N TYR 7.A O no hydrogen 3.084 N/A GLY 100.A N TYR 113.A O no hydrogen 3.076 N/A CYS 101.A N LEU 5.A O no hydrogen 2.778 N/A CYS 101.A SG LEU 160.A O no hydrogen 3.961 N/A GLU 102.A N ARG 111.A O no hydrogen 2.713 N/A VAL 103.A N HIS 3.A O no hydrogen 2.635 N/A GLY 104.A N ARG 108.A O no hydrogen 2.914 N/A GLY 107.A N GLY 104.A O no hydrogen 2.811 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.180 N/A ARG 108.A NH1 ASP 106.A OD2 no hydrogen 2.827 N/A LEU 110.A N GLU 102.A O no hydrogen 2.529 N/A ARG 111.A N GLU 102.A O no hydrogen 3.275 N/A TYR 113.A N GLY 100.A O no hydrogen 2.976 N/A GLN 115.A N ILE 98.A O no hydrogen 2.638 N/A TYR 116.A N ILE 124.A O no hydrogen 2.782 N/A ALA 117.A N GLN 96.A O no hydrogen 2.967 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.670 N/A ASP 119.A N THR 94.A O no hydrogen 2.595 N/A CYS 121.A N TYR 118.A O no hydrogen 3.034 N/A CYS 121.A SG ASP 119.A O no hydrogen 3.916 N/A TYR 123.A N TYR 116.A O no hydrogen 2.875 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.984 N/A ALA 125.A N THR 134.A O no hydrogen 3.352 N/A LEU 126.A N GLN 114.A O no hydrogen 2.990 N/A ASN 127.A N THR 132.A O no hydrogen 2.998 N/A ASN 127.A ND2 TRP 133.A O no hydrogen 3.658 N/A LEU 130.A N ASN 127.A O no hydrogen 2.939 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.709 N/A THR 132.A N ASP 129.A OD1 no hydrogen 2.851 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.925 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.811 N/A THR 134.A N ALA 125.A O no hydrogen 2.962 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.477 N/A ALA 136.A N TYR 123.A O no hydrogen 3.015 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.922 N/A LEU 141.A N ASP 137.A O no hydrogen 3.262 N/A ILE 142.A N ALA 139.A O no hydrogen 3.206 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.984 N/A LYS 144.A N ALA 140.A O no hydrogen 2.598 N/A LYS 144.A NZ GLU 148.A OE1 no hydrogen 3.363 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 2.960 N/A HIS 145.A N LEU 141.A O no hydrogen 3.016 N/A LYS 146.A N ILE 142.A O no hydrogen 2.684 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.435 N/A TRP 147.A N THR 143.A O no hydrogen 2.810 N/A GLU 148.A N LYS 144.A O no hydrogen 2.863 N/A GLN 149.A N HIS 145.A O no hydrogen 2.733 N/A GLY 151.A N GLU 148.A O no hydrogen 3.244 N/A GLU 152.A N TRP 147.A O no hydrogen 3.034 N/A LEU 156.A N GLU 152.A O no hydrogen 2.877 N/A ARG 157.A N ALA 153.A O no hydrogen 2.922 N/A ALA 158.A N GLU 154.A O no hydrogen 2.971 N/A TYR 159.A N ARG 155.A O no hydrogen 3.201 N/A TYR 159.A N LEU 156.A O no hydrogen 3.083 N/A LEU 160.A N LEU 156.A O no hydrogen 2.806 N/A GLU 161.A N ARG 157.A O no hydrogen 2.830 N/A GLY 162.A N ALA 158.A O no hydrogen 2.937 N/A CYS 164.A N TYR 159.A O no hydrogen 2.938 N/A CYS 164.A SG LEU 5.A O no hydrogen 3.857 N/A GLU 166.A N GLY 162.A O no hydrogen 3.098 N/A TRP 167.A N THR 163.A O no hydrogen 2.894 N/A ARG 169.A N VAL 165.A O no hydrogen 3.247 N/A ARG 170.A N GLU 166.A O no hydrogen 3.281 N/A ARG 170.A NE GLU 55.A OE1 no hydrogen 2.901 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.932 N/A TYR 171.A N TRP 167.A O no hydrogen 3.050 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.633 N/A LEU 172.A N LEU 168.A O no hydrogen 2.867 N/A LYS 173.A N ARG 169.A O no hydrogen 2.689 N/A LYS 173.A N ARG 170.A O no hydrogen 3.196 N/A ASN 176.A N LEU 172.A O no hydrogen 2.865 N/A LEU 179.A N GLY 175.A O no hydrogen 3.075 N/A LEU 179.A N ASN 176.A O no hydrogen 2.832 N/A LEU 180.A N ASN 176.A O no hydrogen 2.859 N/A LEU 180.A N ALA 177.A O no hydrogen 2.940 N/A ARG 181.A NE THR 178.A O no hydrogen 2.695 N/A ARG 181.A NH2 THR 178.A O no hydrogen 2.903 N/A ASP 183.A N TYR 209.A O no hydrogen 3.070 N/A LYS 186.A N LEU 206.A O no hydrogen 2.797 N/A THR 190.A N ARG 202.A O no hydrogen 3.034 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 3.169 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.209 N/A HIS 191.A NE2 GLU 254.A OE1 no hydrogen 2.328 N/A HIS 192.A N THR 200.A O no hydrogen 3.063 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 3.169 N/A THR 200.A N HIS 192.A O no hydrogen 3.002 N/A LEU 201.A N VAL 247.A O no hydrogen 2.972 N/A ARG 202.A N THR 190.A O no hydrogen 3.153 N/A CYS 203.A N ALA 245.A O no hydrogen 2.849 N/A CYS 203.A SG TRP 204.A O no hydrogen 4.045 N/A TRP 204.A N HIS 188.A O no hydrogen 2.813 N/A LEU 206.A N LYS 186.A O no hydrogen 3.512 N/A PHE 208.A N PHE 241.A O no hydrogen 3.163 N/A TYR 209.A N ASP 183.A O no hydrogen 3.108 N/A THR 214.A N TYR 262.A O no hydrogen 2.981 N/A THR 216.A N HIS 260.A O no hydrogen 3.209 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.511 N/A GLN 218.A N THR 258.A O no hydrogen 2.766 N/A LEU 219.A N GLU 222.A O no hydrogen 2.863 N/A GLU 222.A N LEU 219.A O no hydrogen 2.818 N/A LEU 224.A N TRP 217.A O no hydrogen 2.922 N/A MET 228.A N LEU 224.A O no hydrogen 2.965 N/A GLU 229.A N SER 246.A O no hydrogen 3.060 N/A VAL 231.A N TRP 244.A O no hydrogen 3.194 N/A ARG 234.A N GLN 242.A O no hydrogen 3.252 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.229 N/A ALA 236.A N THR 240.A O no hydrogen 3.092 N/A PHE 241.A N PHE 208.A O no hydrogen 2.843 N/A GLN 242.A N ARG 234.A O no hydrogen 2.882 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.409 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.953 N/A ALA 245.A N CYS 203.A O no hydrogen 2.871 N/A SER 246.A N GLU 229.A O no hydrogen 3.001 N/A SER 246.A OG GLU 229.A O no hydrogen 3.462 N/A VAL 247.A N LEU 201.A O no hydrogen 2.944 N/A VAL 249.A N VAL 199.A O no hydrogen 2.511 N/A LEU 251.A N ASP 197.A O no hydrogen 3.185 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 2.788 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.863 N/A THR 258.A N GLN 218.A O no hydrogen 3.283 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 3.342 N/A CYS 259.A N LEU 272.A O no hydrogen 3.261 N/A HIS 260.A N THR 216.A O no hydrogen 2.490 N/A VAL 261.A N LEU 270.A O no hydrogen 3.082 N/A TYR 262.A N THR 214.A O no hydrogen 2.826 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.910 N/A GLN 264.A NE2 GLN 264.A O no hydrogen 3.163 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.759 N/A LEU 266.A N HIS 263.A O no hydrogen 2.836 N/A LEU 270.A N VAL 261.A O no hydrogen 3.067 N/A LEU 272.A N CYS 259.A O no hydrogen 3.092 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.884 N/A