Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j4g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 101.A O no hydrogen 3.063 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.003 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.685 N/A VAL 5.A N CYS 99.A O no hydrogen 3.029 N/A ARG 6.A N TYR 27.A O no hydrogen 2.862 N/A ARG 6.A NH1 ASP 100.A OD1 no hydrogen 2.792 N/A ARG 6.A NH2 ASP 100.A OD1 no hydrogen 3.022 N/A ARG 6.A NH2 ASP 100.A OD2 no hydrogen 3.097 N/A TYR 7.A N TYR 97.A O no hydrogen 2.819 N/A PHE 8.A N VAL 25.A O no hydrogen 2.906 N/A HIS 9.A N ARG 95.A O no hydrogen 2.698 N/A HIS 9.A ND1 TYR 73.A OH no hydrogen 2.576 N/A THR 10.A N VAL 23.A O no hydrogen 2.906 N/A ALA 11.A N TRP 93.A O no hydrogen 2.704 N/A VAL 12.A N GLN 21.A O no hydrogen 2.929 N/A SER 13.A N HIS 91.A O no hydrogen 3.048 N/A SER 13.A OG GLY 89.A O no hydrogen 2.461 N/A SER 16.A N VAL 19.A O no hydrogen 3.231 N/A VAL 19.A N SER 16.A O no hydrogen 2.809 N/A GLN 21.A NE2 VAL 12.A O no hydrogen 2.815 N/A PHE 22.A N SER 38.A OG no hydrogen 3.137 N/A VAL 23.A N THR 10.A O no hydrogen 2.912 N/A SER 24.A N TYR 36.A O no hydrogen 2.758 N/A VAL 25.A N PHE 8.A O no hydrogen 3.087 N/A GLY 26.A N VAL 34.A O no hydrogen 2.890 N/A TYR 27.A N ARG 6.A O no hydrogen 2.646 N/A LEU 28.A N GLU 31.A O no hydrogen 2.666 N/A ASP 29.A N SER 4.A O no hydrogen 2.776 N/A GLU 31.A N LEU 28.A O no hydrogen 2.920 N/A PHE 33.A N GLY 26.A O no hydrogen 2.799 N/A VAL 34.A N GLY 26.A O no hydrogen 3.511 N/A TYR 35.A N GLU 44.A O no hydrogen 2.861 N/A TYR 35.A OH ASP 37.A OD2 no hydrogen 2.390 N/A TYR 36.A N SER 24.A O no hydrogen 2.910 N/A TYR 36.A OH GLU 70.A OE2 no hydrogen 2.669 N/A SER 38.A N PHE 22.A O no hydrogen 2.860 N/A GLU 39.A N ASP 37.A OD1 no hydrogen 3.004 N/A THR 40.A N ASP 37.A OD1 no hydrogen 3.067 N/A THR 40.A OG1 ASP 37.A OD1 no hydrogen 3.343 N/A ARG 41.A N ASP 37.A O no hydrogen 2.923 N/A ARG 41.A NE GLU 70.A OE2 no hydrogen 3.353 N/A LYS 43.A N THR 63.A OG1 no hydrogen 3.128 N/A GLU 44.A N TYR 35.A O no hydrogen 2.813 N/A ARG 46.A N PHE 33.A O no hydrogen 2.752 N/A ARG 46.A NH1 GLU 44.A OE2 no hydrogen 3.382 N/A ARG 46.A NH1 PRO 45.A O no hydrogen 3.205 N/A ARG 46.A NH2 GLU 44.A OE2 no hydrogen 3.405 N/A THR 50.A N ALA 47.A O no hydrogen 3.163 N/A THR 50.A OG1 ALA 47.A O no hydrogen 2.593 N/A SER 51.A N ASP 48.A O no hydrogen 3.072 N/A SER 51.A OG ASP 48.A O no hydrogen 2.743 N/A ALA 52.A N TRP 49.A O no hydrogen 2.902 N/A ILE 53.A N THR 50.A O no hydrogen 3.315 N/A GLN 57.A N ASP 55.A OD1 no hydrogen 3.070 N/A TYR 58.A N ASP 55.A O no hydrogen 3.168 N/A TYR 58.A OH TYR 169.A OH no hydrogen 2.704 N/A ARG 61.A N GLN 57.A O no hydrogen 2.861 N/A ARG 61.A NH1 ASP 55.A OD2 no hydrogen 2.833 N/A ASN 62.A N TYR 58.A O no hydrogen 3.058 N/A ASN 62.A ND2 TYR 58.A O no hydrogen 2.740 N/A THR 63.A N TRP 59.A O no hydrogen 2.989 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.645 N/A ARG 64.A N GLU 60.A O no hydrogen 3.177 N/A ARG 64.A NE GLU 60.A OE2 no hydrogen 2.747 N/A ARG 64.A NH1 GLN 67.A OE1 no hydrogen 3.101 N/A ARG 64.A NH2 GLU 60.A OE2 no hydrogen 3.229 N/A ILE 65.A N ARG 61.A O no hydrogen 3.146 N/A SER 66.A N ASN 62.A O no hydrogen 3.037 N/A SER 66.A OG ASN 62.A O no hydrogen 3.409 N/A GLN 67.A N THR 63.A O no hydrogen 2.826 N/A GLN 67.A NE2 ARG 41.A O no hydrogen 3.186 N/A ASN 68.A N ARG 64.A O no hydrogen 2.722 N/A ASN 69.A N ILE 65.A O no hydrogen 2.775 N/A GLU 70.A N SER 66.A O no hydrogen 2.987 N/A GLN 71.A N GLN 67.A O no hydrogen 3.327 N/A ILE 72.A N ASN 68.A O no hydrogen 2.980 N/A TYR 73.A N ASN 69.A O no hydrogen 2.954 N/A TYR 73.A OH HIS 9.A ND1 no hydrogen 2.576 N/A ARG 74.A N GLU 70.A O no hydrogen 3.022 N/A VAL 75.A N GLN 71.A O no hydrogen 3.256 N/A ASN 76.A N ILE 72.A O no hydrogen 2.768 N/A LEU 77.A N TYR 73.A O no hydrogen 2.780 N/A GLU 78.A N ARG 74.A O no hydrogen 3.169 N/A THR 79.A N VAL 75.A O no hydrogen 2.789 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.226 N/A LEU 80.A N ASN 76.A O no hydrogen 2.863 N/A ARG 81.A N LEU 77.A O no hydrogen 2.965 N/A ARG 81.A NE GLU 78.A OE1 no hydrogen 3.132 N/A ARG 81.A NE GLU 78.A OE2 no hydrogen 3.288 N/A ARG 81.A NH1 GLN 86.A O no hydrogen 3.268 N/A ARG 81.A NH2 GLU 78.A OE1 no hydrogen 2.634 N/A GLU 82.A N GLU 78.A O no hydrogen 3.191 N/A ARG 83.A N THR 79.A O no hydrogen 2.887 N/A ARG 83.A NH1 GLY 136.A O no hydrogen 3.017 N/A ARG 83.A NH1 THR 140.A OG1 no hydrogen 2.799 N/A TYR 84.A N LEU 80.A O no hydrogen 2.970 N/A ASN 85.A N GLU 82.A O no hydrogen 2.999 N/A GLN 86.A N ARG 81.A O no hydrogen 2.857 N/A SER 90.A OG GLU 14.A OE1 no hydrogen 3.302 N/A HIS 91.A ND1 GLY 89.A O no hydrogen 2.919 N/A THR 92.A N GLU 116.A OE1 no hydrogen 3.009 N/A TRP 93.A N ALA 11.A O no hydrogen 2.687 N/A GLN 94.A N GLY 114.A O no hydrogen 2.875 N/A ARG 95.A N HIS 9.A O no hydrogen 2.885 N/A ARG 95.A NE ASP 111.A OD1 no hydrogen 3.052 N/A ARG 95.A NH1 TYR 73.A OH no hydrogen 3.064 N/A ARG 95.A NH2 ASP 111.A OD2 no hydrogen 3.091 N/A MET 96.A N GLN 112.A O no hydrogen 3.006 N/A TYR 97.A N TYR 7.A O no hydrogen 3.097 N/A GLY 98.A N PHE 110.A O no hydrogen 3.202 N/A CYS 99.A N VAL 5.A O no hydrogen 3.085 N/A ASP 100.A N ARG 108.A O no hydrogen 2.716 N/A LEU 101.A N HIS 3.A O no hydrogen 2.814 N/A LEU 102.A N SER 106.A O no hydrogen 2.836 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.569 N/A GLY 105.A N LEU 102.A O no hydrogen 3.237 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.961 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.990 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.450 N/A ARG 108.A N ASP 100.A O no hydrogen 3.041 N/A PHE 110.A N GLY 98.A O no hydrogen 2.988 N/A GLN 112.A N MET 96.A O no hydrogen 2.898 N/A TYR 113.A N ILE 121.A O no hydrogen 2.780 N/A TYR 113.A OH ASP 111.A OD2 no hydrogen 2.564 N/A GLY 114.A N GLN 94.A O no hydrogen 2.770 N/A TYR 115.A N ARG 118.A O no hydrogen 2.895 N/A TYR 115.A OH GLN 86.A OE1 no hydrogen 2.855 N/A GLU 116.A N THR 92.A O no hydrogen 2.876 N/A ARG 118.A N TYR 115.A O no hydrogen 2.971 N/A PHE 120.A N TYR 113.A O no hydrogen 3.024 N/A ILE 121.A N TYR 113.A O no hydrogen 3.439 N/A ALA 122.A N THR 131.A O no hydrogen 3.100 N/A LEU 123.A N ASP 111.A O no hydrogen 2.805 N/A ASP 124.A N THR 129.A O no hydrogen 2.756 N/A LYS 125.A NZ ASP 126.A OD1 no hydrogen 3.308 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.505 N/A THR 127.A N ASP 124.A O no hydrogen 3.414 N/A THR 127.A OG1 THR 129.A OG1 no hydrogen 2.570 N/A THR 129.A N ASP 124.A O no hydrogen 3.282 N/A THR 129.A OG1 THR 127.A OG1 no hydrogen 2.570 N/A THR 131.A N ALA 122.A O no hydrogen 2.873 N/A ALA 133.A N PHE 120.A O no hydrogen 2.958 N/A GLN 138.A N ASP 134.A O no hydrogen 3.151 N/A ILE 139.A N ALA 135.A O no hydrogen 3.354 N/A LYS 141.A N ALA 137.A O no hydrogen 2.773 N/A LYS 141.A NZ PHE 130.A O no hydrogen 2.586 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.341 N/A ARG 142.A N GLN 138.A O no hydrogen 2.765 N/A LYS 143.A N ILE 139.A O no hydrogen 3.097 N/A TRP 144.A N THR 140.A O no hydrogen 3.023 N/A GLU 145.A N LYS 141.A O no hydrogen 3.194 N/A GLU 146.A N ARG 142.A O no hydrogen 2.776 N/A GLU 147.A N LYS 143.A O no hydrogen 3.115 N/A GLY 148.A N TRP 144.A O no hydrogen 2.922 N/A THR 149.A OG1 GLU 147.A O no hydrogen 3.345 N/A THR 153.A N THR 149.A O no hydrogen 3.181 N/A THR 153.A OG1 THR 149.A O no hydrogen 2.634 N/A MET 154.A N PHE 150.A O no hydrogen 2.931 N/A LYS 155.A N ALA 151.A O no hydrogen 2.998 N/A LYS 155.A NZ GLU 159.A OE1 no hydrogen 2.988 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 3.099 N/A PHE 156.A N GLU 152.A O no hydrogen 3.059 N/A TYR 157.A N THR 153.A O no hydrogen 2.885 N/A LEU 158.A N MET 154.A O no hydrogen 2.721 N/A GLU 159.A N LYS 155.A O no hydrogen 2.947 N/A ASN 160.A N TYR 157.A O no hydrogen 3.291 N/A CYS 162.A N TYR 157.A O no hydrogen 2.852 N/A GLU 164.A N ASN 160.A O no hydrogen 2.920 N/A TRP 165.A N THR 161.A O no hydrogen 3.002 N/A LEU 166.A N CYS 162.A O no hydrogen 3.003 N/A ARG 167.A N ILE 163.A O no hydrogen 3.147 N/A LYS 168.A N GLU 164.A O no hydrogen 3.315 N/A TYR 169.A N TRP 165.A O no hydrogen 2.686 N/A TYR 169.A OH TYR 58.A OH no hydrogen 2.704 N/A VAL 170.A N LEU 166.A O no hydrogen 2.704 N/A SER 171.A N ARG 167.A O no hydrogen 3.096 N/A TYR 172.A N LYS 168.A O no hydrogen 3.021 N/A GLY 173.A N TYR 169.A O no hydrogen 2.775 N/A LYS 174.A N SER 171.A O no hydrogen 3.300 N/A LEU 177.A N GLY 173.A O no hydrogen 2.841 N/A GLU 178.A N LYS 174.A O no hydrogen 3.056 N/A ARG 179.A N ASP 175.A O no hydrogen 3.231 N/A ARG 179.A NE GLU 181.A OE2 no hydrogen 2.914 N/A ARG 179.A NH1 VAL 176.A O no hydrogen 2.996 N/A ARG 179.A NH2 GLY 236.A O no hydrogen 3.315 N/A GLU 181.A N TYR 206.A O no hydrogen 3.034 N/A GLU 184.A N HIS 203.A O no hydrogen 2.957 N/A ARG 186.A N ARG 201.A O no hydrogen 3.176 N/A SER 188.A N SER 199.A O no hydrogen 2.695 N/A MET 190.A N THR 197.A O no hydrogen 2.788 N/A ALA 192.A N ILE 195.A O no hydrogen 2.770 N/A ILE 195.A N ALA 192.A O no hydrogen 3.316 N/A LEU 196.A N VAL 246.A O no hydrogen 3.054 N/A THR 197.A N MET 190.A O no hydrogen 2.577 N/A THR 197.A OG1 ASP 245.A OD1 no hydrogen 2.523 N/A LEU 198.A N ILE 244.A O no hydrogen 2.835 N/A SER 199.A N SER 188.A O no hydrogen 2.634 N/A CYS 200.A N ALA 242.A O no hydrogen 2.860 N/A ARG 201.A N ARG 186.A O no hydrogen 3.070 N/A ARG 201.A NH1 HIS 239.A NE2 no hydrogen 2.927 N/A ALA 202.A N ILE 240.A O no hydrogen 2.948 N/A HIS 203.A N GLU 184.A O no hydrogen 2.942 N/A HIS 203.A ND1 GLU 184.A O no hydrogen 3.272 N/A GLY 204.A N TYR 238.A O no hydrogen 2.810 N/A TYR 206.A N GLU 181.A O no hydrogen 3.152 N/A SER 211.A N GLU 259.A O no hydrogen 2.899 N/A SER 213.A N ARG 257.A O no hydrogen 2.818 N/A TRP 214.A NE1 ALA 242.A O no hydrogen 2.996 N/A LEU 215.A N GLN 255.A O no hydrogen 2.730 N/A LYS 216.A N VAL 219.A O no hydrogen 2.880 N/A LYS 216.A NZ ASP 250.A OD2 no hydrogen 3.348 N/A ASP 217.A N LYS 253.A O no hydrogen 2.576 N/A VAL 219.A N LYS 216.A O no hydrogen 3.072 N/A GLN 221.A N TRP 214.A O no hydrogen 2.895 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.702 N/A GLU 224.A N GLN 221.A O no hydrogen 3.196 N/A THR 225.A N GLN 221.A O no hydrogen 3.010 N/A THR 225.A OG1 GLN 221.A O no hydrogen 2.723 N/A GLN 226.A N THR 243.A O no hydrogen 3.000 N/A ARG 227.A NE ILE 212.A O no hydrogen 3.342 N/A ARG 227.A NH2 ILE 212.A O no hydrogen 3.189 N/A GLY 228.A N TRP 241.A O no hydrogen 2.845 N/A VAL 231.A N HIS 239.A O no hydrogen 2.964 N/A ASN 233.A N THR 237.A O no hydrogen 2.628 N/A ASN 233.A ND2 THR 237.A OG1 no hydrogen 3.036 N/A GLY 236.A N ASN 233.A O no hydrogen 3.472 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.077 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.819 N/A THR 237.A OG1 ASP 235.A OD2 no hydrogen 3.463 N/A TYR 238.A N PHE 205.A O no hydrogen 2.854 N/A HIS 239.A N VAL 231.A O no hydrogen 2.883 N/A ILE 240.A N ALA 202.A O no hydrogen 3.197 N/A ALA 242.A N CYS 200.A O no hydrogen 2.974 N/A THR 243.A N GLN 226.A O no hydrogen 2.873 N/A THR 243.A OG1 GLN 226.A O no hydrogen 3.001 N/A ILE 244.A N LEU 198.A O no hydrogen 2.725 N/A VAL 246.A N LEU 196.A O no hydrogen 2.614 N/A GLN 255.A N LEU 215.A O no hydrogen 2.877 N/A CYS 256.A N PHE 269.A O no hydrogen 2.796 N/A CYS 256.A SG SER 213.A O no hydrogen 3.996 N/A ARG 257.A N SER 213.A O no hydrogen 2.603 N/A VAL 258.A N GLY 267.A O no hydrogen 2.990 N/A GLU 259.A N SER 211.A O no hydrogen 2.722 N/A HIS 260.A ND1 SER 262.A OG no hydrogen 3.061 N/A HIS 260.A NE2 PRO 207.A O no hydrogen 2.966 N/A SER 262.A N HIS 260.A ND1 no hydrogen 3.155 N/A SER 262.A OG HIS 260.A ND1 no hydrogen 3.061 N/A LEU 263.A N HIS 260.A O no hydrogen 3.030 N/A GLY 267.A N VAL 258.A O no hydrogen 2.856 N/A PHE 269.A N CYS 256.A O no hydrogen 3.031 N/A