Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N LEU 57.A O no hydrogen 2.972 N/A ARG 5.A NE GLU 26.A OE1 no hydrogen 2.915 N/A ARG 5.A NH2 GLU 26.A OE1 no hydrogen 3.443 N/A ARG 5.A NH2 GLU 26.A OE2 no hydrogen 3.043 N/A ALA 6.A N LEU 55.A O no hydrogen 3.023 N/A PHE 7.A N PHE 24.A O no hydrogen 2.818 N/A LEU 9.A N ASP 22.A O no hydrogen 2.753 N/A HIS 10.A N ASP 22.A O no hydrogen 3.286 N/A HIS 10.A NE2 SER 96.A OG no hydrogen 2.444 N/A ARG 12.A N MET 20.A O no hydrogen 3.067 N/A ARG 12.A NH1 SER 11.A O no hydrogen 2.491 N/A TRP 14.A N SER 18.A O no hydrogen 2.967 N/A SER 15.A N SER 18.A O no hydrogen 3.292 N/A THR 17.A N SER 15.A OG no hydrogen 3.176 N/A SER 18.A N SER 15.A OG no hydrogen 3.019 N/A LEU 19.A N ALA 35.A O no hydrogen 3.077 N/A MET 20.A N ARG 12.A O no hydrogen 2.649 N/A LEU 21.A N LEU 33.A O no hydrogen 2.713 N/A ASP 22.A N HIS 10.A O no hydrogen 2.974 N/A VAL 23.A N VAL 31.A O no hydrogen 2.865 N/A PHE 24.A N PHE 7.A O no hydrogen 2.723 N/A THR 25.A N GLY 29.A O no hydrogen 3.068 N/A THR 25.A OG1 GLY 29.A O no hydrogen 2.726 N/A GLU 26.A N ARG 5.A O no hydrogen 2.804 N/A SER 28.A N THR 25.A OG1 no hydrogen 3.052 N/A SER 28.A OG GLN 4.A OE1 no hydrogen 3.256 N/A GLY 29.A N THR 25.A O no hydrogen 3.203 N/A ARG 30.A NE ASP 22.A OD1 no hydrogen 2.911 N/A ARG 30.A NE ASP 22.A OD2 no hydrogen 3.192 N/A ARG 30.A NH1 SER 96.A O no hydrogen 2.500 N/A ARG 30.A NH1 LEU 99.A O no hydrogen 3.092 N/A ARG 30.A NH2 ASP 22.A OD2 no hydrogen 2.587 N/A VAL 31.A N VAL 23.A O no hydrogen 2.971 N/A LEU 33.A N LEU 21.A O no hydrogen 2.774 N/A VAL 34.A N LYS 66.A O no hydrogen 2.947 N/A ALA 35.A N LEU 19.A O no hydrogen 2.871 N/A LYS 36.A NZ THR 67.A OG1 no hydrogen 3.422 N/A ARG 39.A N THR 17.A O no hydrogen 2.948 N/A ARG 39.A NH1 SER 15.A O no hydrogen 2.632 N/A SER 40.A N GLY 37.A O no hydrogen 2.929 N/A ARG 42.A N SER 40.A OG no hydrogen 3.104 N/A SER 43.A N SER 40.A O no hydrogen 3.010 N/A ALA 48.A N LEU 45.A O no hydrogen 2.912 N/A LEU 49.A N LEU 45.A O no hydrogen 2.981 N/A LEU 49.A N LYS 46.A O no hydrogen 3.370 N/A THR 53.A OG1 GLN 50.A O no hydrogen 3.247 N/A THR 53.A OG1 ALA 77.A O no hydrogen 3.335 N/A LEU 55.A N ALA 6.A O no hydrogen 3.082 N/A LEU 56.A N GLU 72.A O no hydrogen 2.878 N/A LEU 57.A N GLN 4.A O no hydrogen 2.710 N/A ARG 58.A N SER 70.A O no hydrogen 2.962 N/A GLY 60.A N THR 67.A O no hydrogen 2.867 N/A LYS 66.A N ARG 32.A O no hydrogen 2.921 N/A LYS 66.A NZ GLY 61.A O no hydrogen 3.161 N/A LYS 66.A NZ GLY 63.A O no hydrogen 2.853 N/A THR 67.A N GLY 60.A O no hydrogen 2.697 N/A LEU 68.A N VAL 34.A O no hydrogen 3.007 N/A ARG 69.A N ARG 58.A O no hydrogen 2.776 N/A SER 70.A N ARG 58.A O no hydrogen 3.237 N/A GLU 72.A N LEU 56.A O no hydrogen 2.803 N/A SER 81.A N THR 84.A OG1 no hydrogen 2.875 N/A THR 84.A N SER 81.A O no hydrogen 3.015 N/A THR 84.A OG1 SER 81.A O no hydrogen 2.845 N/A TYR 86.A N GLY 82.A O no hydrogen 3.045 N/A SER 87.A N ILE 83.A O no hydrogen 3.094 N/A SER 87.A OG ILE 83.A O no hydrogen 2.763 N/A GLY 88.A N THR 84.A O no hydrogen 3.077 N/A LEU 89.A N LEU 85.A O no hydrogen 2.923 N/A TYR 90.A N TYR 86.A O no hydrogen 2.923 N/A TYR 90.A OH GLU 134.A OE2 no hydrogen 2.580 N/A ILE 91.A N SER 87.A O no hydrogen 3.036 N/A ASN 92.A N GLY 88.A O no hydrogen 2.982 N/A GLU 93.A N LEU 89.A O no hydrogen 2.829 N/A LEU 94.A N TYR 90.A O no hydrogen 2.913 N/A LEU 95.A N ILE 91.A O no hydrogen 3.144 N/A SER 96.A N ASN 92.A O no hydrogen 2.902 N/A SER 96.A OG HIS 10.A NE2 no hydrogen 2.444 N/A SER 96.A OG ASN 92.A O no hydrogen 3.027 N/A ARG 97.A N GLU 93.A O no hydrogen 2.986 N/A ARG 97.A NH1 LYS 219.A O no hydrogen 3.087 N/A ARG 97.A NH2 LYS 219.A O no hydrogen 3.035 N/A VAL 98.A N LEU 95.A O no hydrogen 3.276 N/A LEU 99.A N LEU 95.A O no hydrogen 2.930 N/A GLU 102.A N ARG 30.A O no hydrogen 2.687 N/A SER 106.A OG GLU 107.A OE2 no hydrogen 3.544 N/A LEU 108.A N GLU 107.A OE1 no hydrogen 3.027 N/A PHE 109.A N PHE 105.A O no hydrogen 2.959 N/A PHE 110.A N SER 106.A O no hydrogen 3.151 N/A ASP 111.A N GLU 107.A O no hydrogen 2.938 N/A TYR 112.A N LEU 108.A O no hydrogen 2.817 N/A TYR 112.A OH ASN 92.A OD1 no hydrogen 2.581 N/A LEU 113.A N PHE 109.A O no hydrogen 2.853 N/A HIS 114.A N PHE 110.A O no hydrogen 2.933 N/A CYS 115.A N ASP 111.A O no hydrogen 2.969 N/A CYS 115.A SG ALA 129.A O no hydrogen 3.994 N/A ILE 116.A N TYR 112.A O no hydrogen 2.887 N/A GLN 117.A N LEU 113.A O no hydrogen 2.762 N/A SER 118.A N HIS 114.A O no hydrogen 2.871 N/A SER 118.A OG HIS 114.A O no hydrogen 3.156 N/A LEU 119.A N CYS 115.A O no hydrogen 2.950 N/A ALA 120.A N ILE 116.A O no hydrogen 3.008 N/A GLY 121.A N GLN 117.A O no hydrogen 3.241 N/A GLY 121.A N SER 118.A O no hydrogen 3.122 N/A GLU 127.A N THR 125.A OG1 no hydrogen 3.100 N/A LEU 130.A N PRO 126.A O no hydrogen 2.945 N/A ARG 131.A N GLU 127.A O no hydrogen 2.715 N/A ARG 131.A NH1 GLU 134.A OE1 no hydrogen 2.963 N/A ARG 132.A N PRO 128.A O no hydrogen 2.994 N/A ARG 132.A NE ARG 193.A O no hydrogen 3.392 N/A ARG 132.A NH2 ARG 193.A O no hydrogen 3.339 N/A PHE 133.A N ALA 129.A O no hydrogen 3.068 N/A GLU 134.A N LEU 130.A O no hydrogen 2.893 N/A LEU 135.A N ARG 131.A O no hydrogen 3.087 N/A ALA 136.A N ARG 132.A O no hydrogen 3.140 N/A LEU 137.A N PHE 133.A O no hydrogen 2.740 N/A LEU 138.A N GLU 134.A O no hydrogen 2.738 N/A GLY 139.A N LEU 135.A O no hydrogen 2.961 N/A HIS 140.A N ALA 136.A O no hydrogen 2.912 N/A LEU 141.A N LEU 137.A O no hydrogen 2.871 N/A GLY 142.A N LEU 138.A O no hydrogen 2.984 N/A GLY 142.A N GLY 139.A O no hydrogen 2.838 N/A TYR 143.A N LEU 138.A O no hydrogen 3.378 N/A THR 148.A N ASN 146.A OD1 no hydrogen 3.025 N/A THR 148.A OG1 ASN 146.A OD1 no hydrogen 3.561 N/A HIS 149.A N ASN 146.A OD1 no hydrogen 2.674 N/A CYS 150.A N GLU 155.A O no hydrogen 2.604 N/A CYS 150.A SG ALA 151.A O no hydrogen 3.845 N/A CYS 150.A SG SER 153.A OG no hydrogen 3.628 N/A CYS 150.A SG PHE 171.A O no hydrogen 3.991 N/A ALA 151.A N PHE 171.A O no hydrogen 2.661 N/A GLY 154.A N CYS 150.A O no hydrogen 3.030 N/A GLU 155.A N SER 153.A OG no hydrogen 3.252 N/A VAL 157.A N THR 148.A O no hydrogen 3.085 N/A ASP 158.A N TYR 163.A OH no hydrogen 2.874 N/A MET 161.A N ASP 158.A O no hydrogen 3.027 N/A THR 162.A OG1 SER 174.A O no hydrogen 2.480 N/A TYR 163.A N PHE 182.A O no hydrogen 2.639 N/A ARG 164.A N ILE 172.A O no hydrogen 2.759 N/A ARG 164.A NH1 ASP 178.A OD2 no hydrogen 2.376 N/A TYR 165.A N LYS 180.A O no hydrogen 2.875 N/A ARG 166.A N GLY 170.A O no hydrogen 2.887 N/A LYS 169.A N ARG 166.A O no hydrogen 2.554 N/A GLY 170.A N ARG 166.A O no hydrogen 3.046 N/A ILE 172.A N ARG 164.A O no hydrogen 3.087 N/A SER 174.A N THR 162.A O no hydrogen 2.906 N/A VAL 176.A N SER 174.A OG no hydrogen 2.945 N/A ASP 178.A N THR 181.A OG1 no hydrogen 2.622 N/A LYS 180.A N ASP 178.A OD1 no hydrogen 3.117 N/A LYS 180.A NZ TYR 165.A O no hydrogen 3.485 N/A THR 181.A N ASP 178.A O no hydrogen 2.761 N/A THR 181.A OG1 VAL 176.A O no hydrogen 2.727 N/A THR 181.A OG1 ASP 178.A O no hydrogen 2.895 N/A THR 181.A OG1 ASP 178.A OD1 no hydrogen 2.977 N/A PHE 182.A N TYR 163.A O no hydrogen 2.593 N/A THR 183.A N GLN 186.A OE1 no hydrogen 2.860 N/A GLY 184.A N MET 161.A O no hydrogen 2.885 N/A ARG 185.A N ASP 159.A O no hydrogen 2.866 N/A GLN 186.A NE2 ASP 199.A OD1 no hydrogen 3.363 N/A GLN 186.A NE2 ASP 199.A OD2 no hydrogen 3.213 N/A LEU 187.A N THR 183.A O no hydrogen 2.934 N/A LYS 188.A N GLY 184.A O no hydrogen 3.089 N/A LYS 188.A NZ ASP 159.A OD1 no hydrogen 3.081 N/A ALA 189.A N ARG 185.A O no hydrogen 3.013 N/A LEU 190.A N GLN 186.A O no hydrogen 2.907 N/A ASN 191.A N LEU 187.A O no hydrogen 2.974 N/A ALA 192.A N LYS 188.A O no hydrogen 3.018 N/A ALA 192.A N ALA 189.A O no hydrogen 3.047 N/A ARG 193.A N ALA 189.A O no hydrogen 2.599 N/A THR 200.A N ASP 197.A OD2 no hydrogen 2.876 N/A THR 200.A OG1 ASP 197.A O no hydrogen 3.027 N/A THR 200.A OG1 ASP 197.A OD2 no hydrogen 2.705 N/A LEU 201.A N ASP 197.A O no hydrogen 3.130 N/A ARG 202.A N ALA 198.A O no hydrogen 2.816 N/A ALA 203.A N ASP 199.A O no hydrogen 3.138 N/A ALA 204.A N THR 200.A O no hydrogen 2.858 N/A LYS 205.A N LEU 201.A O no hydrogen 3.030 N/A LYS 205.A NZ GLU 127.A OE2 no hydrogen 3.037 N/A ARG 206.A N ARG 202.A O no hydrogen 3.209 N/A ARG 206.A NE ASN 179.A O no hydrogen 2.920 N/A ARG 206.A NH2 ASN 179.A O no hydrogen 3.176 N/A ARG 206.A NH2 THR 181.A O no hydrogen 2.303 N/A PHE 207.A N ALA 203.A O no hydrogen 2.917 N/A THR 208.A N ALA 204.A O no hydrogen 2.910 N/A THR 208.A OG1 GLU 134.A OE1 no hydrogen 2.862 N/A THR 208.A OG1 ALA 204.A O no hydrogen 3.410 N/A THR 208.A OG1 LYS 205.A O no hydrogen 3.218 N/A ARG 209.A N LYS 205.A O no hydrogen 3.105 N/A MET 210.A N ARG 206.A O no hydrogen 3.499 N/A ALA 211.A N PHE 207.A O no hydrogen 2.996 N/A LEU 212.A N THR 208.A O no hydrogen 2.891 N/A LEU 212.A N ARG 209.A O no hydrogen 3.263 N/A LYS 213.A N ARG 209.A O no hydrogen 3.189 N/A LYS 213.A N MET 210.A O no hydrogen 3.229 N/A TYR 215.A N LEU 212.A O no hydrogen 2.713 N/A LEU 216.A N LYS 213.A O no hydrogen 2.991 N/A LYS 222.A N GLU 93.A OE2 no hydrogen 2.657 N/A SER 223.A N GLU 93.A OE1 no hydrogen 2.766 N/A SER 223.A OG GLU 93.A OE1 no hydrogen 2.506 N/A GLU 225.A N LEU 221.A O no hydrogen 3.439 N/A LEU 226.A N LYS 222.A O no hydrogen 3.031 N/A LEU 226.A N SER 223.A O no hydrogen 3.159 N/A PHE 227.A N SER 223.A O no hydrogen 3.141 N/A ARG 228.A N ARG 224.A O no hydrogen 3.012 N/A GLN 229.A N GLU 225.A O no hydrogen 3.369 N/A GLN 229.A NE2 GLN 229.A O no hydrogen 3.087 N/A PHE 230.A N PHE 227.A O no hydrogen 3.091 N/A