Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3umc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N LEU 228.A O no hydrogen 3.152 N/A GLN 4.A NE2 PHE 3.A O no hydrogen 2.667 N/A ARG 6.A NE GLU 171.A OE1 no hydrogen 2.959 N/A ILE 8.A N TRP 118.A O no hydrogen 2.818 N/A PHE 10.A N ALA 120.A O no hydrogen 2.828 N/A ASP 11.A N CYS 174.A O no hydrogen 3.173 N/A GLY 14.A N VAL 17.A O no hydrogen 2.938 N/A THR 15.A OG1 ASP 11.A OD2 no hydrogen 2.576 N/A LEU 16.A N VAL 12.A O no hydrogen 3.003 N/A VAL 17.A N VAL 12.A O no hydrogen 3.207 N/A ASP 18.A N ARG 102.A O no hydrogen 2.788 N/A TRP 19.A NE1 GLU 199.A OE2 no hydrogen 2.754 N/A ARG 20.A NE ASP 45.A OD1 no hydrogen 2.900 N/A ARG 20.A NE ASP 45.A OD2 no hydrogen 3.471 N/A ARG 20.A NH2 ASP 45.A OD2 no hydrogen 2.939 N/A SER 21.A N ASP 18.A OD1 no hydrogen 3.157 N/A SER 21.A OG ASP 18.A OD1 no hydrogen 3.550 N/A SER 21.A OG ASP 18.A OD2 no hydrogen 2.707 N/A SER 22.A N ASP 18.A O no hydrogen 3.405 N/A SER 22.A OG ASP 18.A O no hydrogen 3.107 N/A LEU 23.A N TRP 19.A O no hydrogen 2.833 N/A ILE 24.A N ARG 20.A O no hydrogen 2.937 N/A GLU 25.A N SER 21.A O no hydrogen 2.942 N/A GLN 26.A N SER 22.A O no hydrogen 3.188 N/A GLN 26.A N LEU 23.A O no hydrogen 2.915 N/A GLN 26.A NE2 SER 22.A O no hydrogen 3.152 N/A GLN 26.A NE2 PHE 97.A O no hydrogen 2.888 N/A PHE 27.A N LEU 23.A O no hydrogen 2.953 N/A GLN 28.A N ILE 24.A O no hydrogen 3.074 N/A ALA 29.A N GLU 25.A O no hydrogen 3.140 N/A LEU 30.A N GLN 26.A O no hydrogen 3.182 N/A GLU 31.A N PHE 27.A O no hydrogen 2.920 N/A ARG 32.A N GLN 28.A O no hydrogen 3.235 N/A GLU 33.A N LEU 30.A O no hydrogen 2.941 N/A LEU 34.A N LEU 30.A O no hydrogen 2.728 N/A THR 37.A OG1 GLU 31.A OE1 no hydrogen 3.433 N/A THR 37.A OG1 LEU 38.A O no hydrogen 3.392 N/A LEU 38.A N GLU 31.A OE1 no hydrogen 2.933 N/A CYS 40.A SG LEU 38.A O no hydrogen 3.378 N/A LEU 43.A N PRO 39.A O no hydrogen 3.013 N/A THR 44.A N CYS 40.A O no hydrogen 3.076 N/A THR 44.A OG1 CYS 40.A O no hydrogen 2.896 N/A ASP 45.A N VAL 41.A O no hydrogen 2.885 N/A ARG 46.A N GLU 42.A O no hydrogen 2.902 N/A ARG 46.A NH1 GLU 81.A OE1 no hydrogen 3.076 N/A ARG 46.A NH2 GLN 50.A OE1 no hydrogen 3.323 N/A ARG 46.A NH2 GLU 81.A OE2 no hydrogen 3.055 N/A TRP 47.A N LEU 43.A O no hydrogen 2.844 N/A TRP 47.A NE1 HIS 71.A O no hydrogen 2.989 N/A ARG 48.A N THR 44.A O no hydrogen 3.310 N/A ARG 48.A NE TYR 200.A OH no hydrogen 3.499 N/A GLN 49.A N ARG 46.A O no hydrogen 3.081 N/A GLN 50.A N TRP 47.A O no hydrogen 3.135 N/A ARG 56.A N PRO 53.A O no hydrogen 2.732 N/A VAL 57.A N ALA 54.A O no hydrogen 3.039 N/A ARG 58.A NE ASP 55.A OD1 no hydrogen 3.313 N/A ARG 58.A NH1 TYR 151.A O no hydrogen 2.914 N/A ARG 58.A NH1 LYS 152.A O no hydrogen 3.409 N/A ARG 58.A NH1 ASP 154.A OD1 no hydrogen 2.875 N/A ARG 58.A NH2 LYS 152.A O no hydrogen 3.160 N/A ASN 59.A N ASP 55.A O no hydrogen 2.881 N/A ASN 59.A ND2 ASP 55.A O no hydrogen 3.046 N/A GLY 60.A N VAL 57.A O no hydrogen 3.107 N/A ALA 62.A N ARG 56.A O no hydrogen 3.425 N/A HIS 66.A N GLN 69.A OE1 no hydrogen 2.744 N/A ASP 68.A N ASN 126.A OD1 no hydrogen 3.083 N/A LEU 70.A N HIS 66.A O no hydrogen 3.106 N/A HIS 71.A N LEU 67.A O no hydrogen 2.752 N/A ARG 72.A N ASP 68.A O no hydrogen 2.961 N/A ARG 72.A NH1 GLU 76.A OE2 no hydrogen 3.353 N/A ARG 72.A NH1 GLU 88.A OE2 no hydrogen 2.874 N/A ARG 72.A NH2 GLU 88.A OE1 no hydrogen 3.044 N/A ARG 72.A NH2 GLU 88.A OE2 no hydrogen 3.525 N/A GLN 73.A N GLN 69.A O no hydrogen 2.941 N/A SER 74.A N LEU 70.A O no hydrogen 3.012 N/A SER 74.A OG LEU 70.A O no hydrogen 2.962 N/A SER 74.A OG HIS 71.A O no hydrogen 3.072 N/A LEU 75.A N HIS 71.A O no hydrogen 3.073 N/A GLU 76.A N ARG 72.A O no hydrogen 3.142 N/A ALA 77.A N GLN 73.A O no hydrogen 3.114 N/A LEU 78.A N SER 74.A O no hydrogen 3.346 N/A ALA 79.A N LEU 75.A O no hydrogen 2.932 N/A GLY 80.A N GLU 76.A O no hydrogen 3.018 N/A GLU 81.A N ALA 77.A O no hydrogen 3.225 N/A PHE 82.A N LEU 78.A O no hydrogen 2.892 N/A GLY 83.A N GLY 80.A O no hydrogen 2.621 N/A LEU 84.A N ALA 79.A O no hydrogen 2.953 N/A LEU 90.A N ASP 87.A O no hydrogen 2.665 N/A LEU 91.A N ASP 87.A O no hydrogen 2.969 N/A GLN 92.A N GLU 88.A O no hydrogen 3.050 N/A GLN 92.A NE2 GLU 88.A OE1 no hydrogen 2.778 N/A ARG 93.A N ALA 89.A O no hydrogen 3.256 N/A ARG 93.A NH1 GLU 33.A OE1 no hydrogen 3.376 N/A ARG 93.A NH2 GLU 33.A OE1 no hydrogen 3.450 N/A ARG 93.A NH2 GLU 33.A OE2 no hydrogen 3.491 N/A ILE 94.A N LEU 90.A O no hydrogen 2.849 N/A THR 95.A N LEU 91.A O no hydrogen 3.103 N/A THR 95.A OG1 LEU 91.A O no hydrogen 2.890 N/A GLY 96.A N GLN 92.A O no hydrogen 3.245 N/A GLY 96.A N ARG 93.A O no hydrogen 3.231 N/A PHE 97.A N ILE 94.A O no hydrogen 2.984 N/A HIS 99.A N GLY 96.A O no hydrogen 2.993 N/A HIS 99.A ND1 ASP 131.A OD2 no hydrogen 2.873 N/A HIS 99.A NE2 ASP 68.A OD1 no hydrogen 2.641 N/A ARG 100.A N PHE 97.A O no hydrogen 3.317 N/A ARG 100.A NE GLN 26.A OE1 no hydrogen 3.217 N/A ARG 100.A NH2 GLN 26.A OE1 no hydrogen 2.927 N/A ARG 102.A N SER 22.A OG no hydrogen 2.880 N/A ARG 102.A NH1 GLU 25.A OE1 no hydrogen 3.428 N/A ARG 102.A NH1 GLU 25.A OE2 no hydrogen 3.428 N/A ARG 102.A NH2 GLU 25.A OE1 no hydrogen 3.319 N/A TRP 104.A N LEU 16.A O no hydrogen 3.137 N/A TRP 104.A NE1 GLY 14.A O no hydrogen 2.727 N/A THR 107.A N TRP 104.A O no hydrogen 2.952 N/A THR 107.A OG1 LEU 16.A O no hydrogen 2.643 N/A GLY 110.A N ASP 106.A O no hydrogen 2.957 N/A ALA 112.A N ALA 109.A O no hydrogen 2.859 N/A LEU 113.A N GLY 110.A O no hydrogen 2.941 N/A LYS 114.A NZ HIS 111.A ND1 no hydrogen 2.771 N/A ASP 116.A N LEU 113.A O no hydrogen 3.163 N/A TRP 118.A N ARG 6.A O no hydrogen 3.029 N/A LEU 119.A N ASP 141.A OD2 no hydrogen 2.792 N/A ALA 120.A N ILE 8.A O no hydrogen 2.958 N/A LEU 122.A N PHE 10.A O no hydrogen 2.755 N/A GLY 125.A N SER 123.A OG no hydrogen 2.899 N/A THR 127.A N ASP 146.A OD1 no hydrogen 2.998 N/A THR 127.A N ASP 146.A OD2 no hydrogen 3.462 N/A THR 127.A OG1 ASP 146.A OD1 no hydrogen 2.791 N/A ASP 131.A N ALA 128.A O no hydrogen 3.324 N/A VAL 132.A N LEU 129.A O no hydrogen 2.938 N/A ARG 134.A N LEU 130.A O no hydrogen 3.035 N/A HIS 135.A N ASP 131.A O no hydrogen 2.995 N/A ALA 136.A N VAL 132.A O no hydrogen 3.181 N/A LEU 138.A N ALA 133.A O no hydrogen 3.000 N/A TRP 140.A N LEU 138.A O no hydrogen 3.195 N/A ASP 141.A N LEU 119.A O no hydrogen 2.848 N/A LEU 143.A N ALA 121.A O no hydrogen 2.796 N/A ALA 145.A N SER 123.A O no hydrogen 2.977 N/A LEU 147.A N CYS 144.A O no hydrogen 2.856 N/A PHE 148.A N ALA 145.A O no hydrogen 2.989 N/A GLY 149.A N ALA 145.A O no hydrogen 2.813 N/A HIS 150.A N ALA 145.A O no hydrogen 3.373 N/A HIS 150.A ND1 ASP 154.A OD2 no hydrogen 2.755 N/A TYR 151.A OH GLN 65.A O no hydrogen 2.726 N/A LYS 152.A N ASN 124.A OD1 no hydrogen 2.952 N/A LYS 152.A NZ ASP 11.A OD1 no hydrogen 2.877 N/A LYS 152.A NZ LEU 122.A O no hydrogen 2.872 N/A LYS 152.A NZ ASP 180.A OD2 no hydrogen 2.735 N/A ASP 154.A N TYR 151.A O no hydrogen 2.967 N/A GLN 156.A N GLN 156.A OE1 no hydrogen 2.784 N/A VAL 157.A N ASP 154.A O no hydrogen 3.229 N/A TYR 158.A OH ASP 180.A OD1 no hydrogen 2.594 N/A LEU 159.A N PRO 155.A O no hydrogen 2.997 N/A GLY 160.A N GLN 156.A O no hydrogen 2.736 N/A ALA 161.A N VAL 157.A O no hydrogen 2.943 N/A CYS 162.A N TYR 158.A O no hydrogen 3.164 N/A CYS 162.A SG TYR 158.A O no hydrogen 3.346 N/A ARG 163.A N LEU 159.A O no hydrogen 2.992 N/A LEU 164.A N GLY 160.A O no hydrogen 2.791 N/A LEU 165.A N ALA 161.A O no hydrogen 3.005 N/A ASP 166.A N ARG 163.A O no hydrogen 3.027 N/A LEU 167.A N CYS 162.A O no hydrogen 2.985 N/A GLU 171.A N PRO 168.A O no hydrogen 2.833 N/A VAL 172.A N PRO 169.A O no hydrogen 2.879 N/A CYS 174.A N LEU 9.A O no hydrogen 2.785 N/A ALA 175.A N ALA 192.A O no hydrogen 3.010 N/A ALA 176.A N THR 15.A OG1 no hydrogen 2.791 N/A HIS 177.A NE2 GLU 199.A OE1 no hydrogen 2.514 N/A ASN 178.A N ASP 207.A OD1 no hydrogen 2.919 N/A ASN 178.A ND2 ASP 207.A OD1 no hydrogen 2.880 N/A ASN 178.A ND2 ALA 209.A O no hydrogen 2.975 N/A ASP 180.A N HIS 177.A O no hydrogen 3.214 N/A LEU 181.A N HIS 177.A O no hydrogen 3.419 N/A LYS 182.A N ASN 178.A O no hydrogen 2.901 N/A ALA 183.A N TYR 179.A O no hydrogen 3.228 N/A ALA 184.A N ASP 180.A O no hydrogen 3.095 N/A ARG 185.A N LEU 181.A O no hydrogen 2.918 N/A ARG 185.A NH1 GLN 212.A OE1 no hydrogen 3.229 N/A ARG 185.A NH1 ASP 213.A O no hydrogen 3.332 N/A ARG 185.A NH1 ASP 213.A OD1 no hydrogen 2.797 N/A ARG 185.A NH2 ASP 213.A O no hydrogen 2.815 N/A ARG 185.A NH2 ASP 215.A OD1 no hydrogen 3.532 N/A ALA 186.A N LYS 182.A O no hydrogen 3.181 N/A LEU 187.A N ALA 184.A O no hydrogen 3.099 N/A GLY 188.A N ARG 185.A O no hydrogen 3.000 N/A LEU 189.A N ALA 184.A O no hydrogen 2.895 N/A LYS 190.A N VAL 172.A O no hydrogen 3.018 N/A LYS 190.A NZ GLN 170.A O no hydrogen 2.949 N/A THR 191.A N ASP 215.A OD2 no hydrogen 2.914 N/A THR 191.A OG1 ASP 215.A OD2 no hydrogen 3.211 N/A ALA 192.A N LEU 173.A O no hydrogen 2.876 N/A PHE 193.A N LEU 216.A O no hydrogen 2.963 N/A ILE 194.A N ALA 175.A O no hydrogen 3.227 N/A ARG 196.A NE THR 15.A O no hydrogen 2.982 N/A ARG 196.A NH1 ASP 106.A OD1 no hydrogen 2.747 N/A ARG 196.A NH1 ASP 106.A OD2 no hydrogen 3.544 N/A ARG 196.A NH2 THR 15.A O no hydrogen 3.148 N/A ARG 196.A NH2 ASP 106.A OD1 no hydrogen 3.284 N/A ARG 196.A NH2 ASP 106.A OD2 no hydrogen 2.875 N/A GLU 199.A N ARG 196.A O no hydrogen 3.096 N/A TYR 200.A N GLN 204.A OE1 no hydrogen 3.040 N/A GLY 201.A N LEU 198.A O no hydrogen 3.050 N/A GLN 204.A N GLY 201.A O no hydrogen 3.089 N/A GLN 204.A NE2 ARG 196.A O no hydrogen 3.396 N/A GLN 204.A NE2 GLN 206.A O no hydrogen 2.683 N/A GLU 211.A N ASN 178.A OD1 no hydrogen 2.928 N/A TRP 214.A N GLN 212.A O no hydrogen 2.831 N/A TRP 214.A NE1 ASN 178.A OD1 no hydrogen 2.806 N/A ASP 215.A N THR 191.A OG1 no hydrogen 3.175 N/A LEU 216.A N THR 191.A O no hydrogen 2.978 N/A ALA 218.A N PHE 193.A O no hydrogen 2.974 N/A SER 219.A N ASP 223.A OD2 no hydrogen 3.097 N/A SER 219.A OG ASP 220.A OD2 no hydrogen 3.194 N/A LEU 221.A N ASP 106.A OD2 no hydrogen 2.998 N/A LEU 222.A N ASP 220.A OD1 no hydrogen 2.964 N/A ASP 223.A N ASP 220.A OD1 no hydrogen 2.967 N/A LEU 224.A N ASP 220.A O no hydrogen 2.963 N/A HIS 225.A N LEU 221.A O no hydrogen 3.029 N/A ARG 226.A N LEU 222.A O no hydrogen 2.775 N/A ARG 226.A NE ASP 223.A OD1 no hydrogen 3.296 N/A ARG 226.A NH2 ASP 223.A OD1 no hydrogen 2.862 N/A GLN 227.A N ASP 223.A O no hydrogen 2.861 N/A GLN 227.A NE2 ILE 217.A O no hydrogen 2.788 N/A GLN 227.A NE2 ASP 223.A OD2 no hydrogen 3.013 N/A LEU 228.A N LEU 224.A O no hydrogen 2.853 N/A ALA 229.A N HIS 225.A O no hydrogen 2.939 N/A