Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ub1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 4.A OG1 no hydrogen 3.162 N/A THR 4.A N SER 1.A OG no hydrogen 3.339 N/A THR 4.A OG1 SER 1.A OG no hydrogen 3.162 N/A GLN 5.A N SER 1.A O no hydrogen 3.072 N/A ALA 6.A N LEU 2.A O no hydrogen 2.797 N/A PHE 7.A N GLU 3.A O no hydrogen 2.863 N/A SER 8.A N THR 4.A O no hydrogen 3.296 N/A PHE 9.A N GLN 5.A O no hydrogen 2.993 N/A ALA 10.A N ALA 6.A O no hydrogen 2.859 N/A GLU 11.A N PHE 7.A O no hydrogen 2.976 N/A GLU 12.A N SER 8.A O no hydrogen 2.940 N/A PHE 13.A N PHE 9.A O no hydrogen 2.898 N/A ALA 14.A N ALA 10.A O no hydrogen 2.842 N/A TRP 15.A N GLU 11.A O no hydrogen 3.034 N/A ASP 16.A N GLU 12.A O no hydrogen 3.419 N/A TYR 17.A N PHE 13.A O no hydrogen 2.832 N/A PHE 18.A N ALA 14.A O no hydrogen 3.027 N/A SER 19.A N ASP 16.A O no hydrogen 3.128 N/A SER 19.A OG TRP 15.A O no hydrogen 2.743 N/A ARG 20.A N SER 49.A O no hydrogen 2.869 N/A ARG 20.A NE TYR 17.A O no hydrogen 2.659 N/A ARG 20.A NH1 ASN 45.A OD1 no hydrogen 2.836 N/A ARG 20.A NH2 TYR 17.A O no hydrogen 3.004 N/A ASP 24.A N.A TYR 21.A O no hydrogen 2.828 N/A ASP 24.A N.B TYR 21.A O no hydrogen 3.225 N/A ASP 27.A N ASP 24.A O.A no hydrogen 3.014 N/A ASP 27.A N ASP 24.A O.B no hydrogen 3.036 N/A PHE 28.A N THR 25.A O no hydrogen 3.206 N/A ARG 30.A N GLN 26.A O no hydrogen 2.865 N/A ARG 30.A NH2 ASP 24.A OD2.A no hydrogen 3.325 N/A ARG 30.A NH2 ASP 24.A OD2.B no hydrogen 3.426 N/A ARG 30.A NH2 ASP 27.A OD1 no hydrogen 2.976 N/A ARG 31.A N ASP 27.A O no hydrogen 3.005 N/A ARG 31.A NE ASP 27.A OD2 no hydrogen 2.681 N/A ARG 31.A NH1 ASP 16.A O no hydrogen 3.247 N/A ARG 31.A NH1 ASP 16.A OD1 no hydrogen 2.900 N/A ARG 31.A NH1 SER 19.A O no hydrogen 3.246 N/A ARG 31.A NH2 SER 19.A O no hydrogen 2.721 N/A ARG 31.A NH2 ASP 27.A OD2 no hydrogen 3.281 N/A ILE 32.A N PHE 28.A O no hydrogen 2.741 N/A THR 33.A N VAL 29.A O no hydrogen 2.997 N/A THR 33.A OG1 VAL 29.A O no hydrogen 2.855 N/A LYS 34.A N ARG 31.A O no hydrogen 3.237 N/A TYR 35.A N ILE 32.A O no hydrogen 2.833 N/A TYR 35.A OH ASP 16.A OD2 no hydrogen 3.241 N/A THR 36.A OG1 VAL 112.A O no hydrogen 2.767 N/A LEU 40.A N THR 37.A OG1 no hydrogen 3.043 N/A ALA 41.A N THR 37.A O no hydrogen 2.893 N/A ASN 42.A N GLU 38.A O no hydrogen 2.974 N/A GLU 43.A N GLN 39.A O no hydrogen 3.108 N/A ASN 44.A ND2 THR 25.A O no hydrogen 2.845 N/A ASN 45.A N ASN 44.A OD1 no hydrogen 2.872 N/A THR 47.A N ASN 45.A OD1 no hydrogen 3.065 N/A THR 47.A OG1 ASN 45.A OD1 no hydrogen 3.242 N/A SER 49.A N ARG 20.A O no hydrogen 3.026 N/A SER 49.A OG PHE 18.A O no hydrogen 2.714 N/A ASP 50.A N ARG 76.A O no hydrogen 3.013 N/A ILE 52.A N ARG 74.A O no hydrogen 2.769 N/A TYR 53.A N ARG 74.A O no hydrogen 3.271 N/A THR 54.A OG1 GLU 11.A O no hydrogen 2.921 N/A SER 55.A N LYS 72.A O no hydrogen 2.762 N/A ALA 56.A N GLU 11.A OE2 no hydrogen 2.796 N/A PHE 57.A N SER 70.A O no hydrogen 2.823 N/A TYR 58.A N SER 70.A O no hydrogen 3.408 N/A GLU 60.A N ASN 68.A O no hydrogen 2.866 N/A TYR 62.A N GLN 66.A O no hydrogen 2.851 N/A SER 63.A N GLN 66.A O no hydrogen 3.075 N/A SER 63.A OG ASN 65.A OD1 no hydrogen 3.282 N/A SER 63.A OG GLN 66.A OE1 no hydrogen 2.677 N/A ASN 65.A N SER 63.A OG no hydrogen 3.294 N/A ASN 65.A ND2 PHE 106.A O no hydrogen 3.660 N/A GLN 66.A N SER 63.A O no hydrogen 3.435 N/A GLN 66.A NE2 ASP 113.A OD2 no hydrogen 3.074 N/A VAL 67.A N ILE 104.A O no hydrogen 2.881 N/A ASN 68.A N GLU 60.A O no hydrogen 2.796 N/A ASN 68.A ND2 GLU 60.A OE1 no hydrogen 2.953 N/A VAL 69.A N VAL 102.A O no hydrogen 2.996 N/A SER 70.A N TYR 58.A O no hydrogen 2.804 N/A VAL 71.A N LEU 100.A O no hydrogen 2.790 N/A LYS 72.A N SER 55.A O no hydrogen 2.713 N/A LYS 72.A NZ TYR 53.A OH no hydrogen 2.993 N/A ALA 73.A N TYR 98.A O no hydrogen 2.843 N/A ARG 74.A N TYR 53.A O no hydrogen 3.023 N/A ARG 74.A NE ASP 97.A OD1 no hydrogen 2.891 N/A ARG 74.A NH2 ASP 97.A OD2 no hydrogen 3.021 N/A VAL 75.A N VAL 96.A O no hydrogen 2.875 N/A ARG 76.A N ASP 50.A O no hydrogen 2.902 N/A ARG 76.A NE ASP 50.A OD1 no hydrogen 2.684 N/A ARG 76.A NH2 ASP 50.A OD1 no hydrogen 2.946 N/A VAL 77.A N ASN 94.A O no hydrogen 2.815 N/A TYR 78.A N TYR 48.A O no hydrogen 2.814 N/A TYR 78.A OH ASP 50.A OD1 no hydrogen 3.299 N/A TYR 78.A OH ASP 50.A OD2 no hydrogen 2.663 N/A THR 79.A N ASP 92.A O no hydrogen 2.941 N/A LYS 81.A N GLN 90.A O no hydrogen 2.778 N/A GLN 84.A NE2 LYS 81.A O no hydrogen 2.841 N/A GLN 84.A NE2 GLN 90.A O no hydrogen 2.967 N/A GLN 90.A N GLN 84.A OE1 no hydrogen 2.792 N/A GLN 90.A NE2 GLN 88.A O no hydrogen 2.950 N/A ASP 92.A N THR 79.A O no hydrogen 2.728 N/A ASN 94.A N VAL 77.A O no hydrogen 2.760 N/A ASN 94.A ND2 VAL 77.A O no hydrogen 2.890 N/A ASN 94.A ND2 THR 79.A OG1 no hydrogen 2.908 N/A VAL 96.A N VAL 75.A O no hydrogen 2.957 N/A TYR 98.A N ALA 73.A O no hydrogen 2.789 N/A LEU 100.A N VAL 71.A O no hydrogen 2.860 N/A GLU 101.A N VAL 117.A O no hydrogen 2.741 N/A VAL 102.A N VAL 69.A O no hydrogen 2.818 N/A ILE 104.A N VAL 67.A O no hydrogen 2.926 N/A VAL 105.A N ALA 111.A O no hydrogen 2.835 N/A PHE 106.A N ASN 65.A O no hydrogen 2.932 N/A ASP 107.A N ASN 110.A O no hydrogen 3.011 N/A ASP 109.A N ASP 107.A OD1 no hydrogen 2.944 N/A ASN 110.A ND2 ASP 107.A OD2 no hydrogen 3.028 N/A VAL 112.A N TYR 35.A O no hydrogen 2.842 N/A ASP 113.A N PRO 103.A O no hydrogen 3.089 N/A VAL 117.A N GLU 101.A O no hydrogen 3.122 N/A ALA 119.A N THR 118.A OG1 no hydrogen 2.851 N/A ASN 128.A ND2 GLU 130.A OE2 no hydrogen 2.788 N/A LYS 129.A N ASN 240.A OD1 no hydrogen 2.754 N/A LYS 129.A NZ LYS 127.A O no hydrogen 2.954 N/A LYS 129.A NZ ASN 240.A OD1 no hydrogen 2.850 N/A GLU 136.A N ILE 191.A O no hydrogen 2.792 N/A ASP 138.A N GLU 136.A OE2 no hydrogen 2.872 N/A LYS 141.A N ASP 138.A OD2 no hydrogen 3.039 N/A THR 142.A N ASP 138.A O no hydrogen 3.003 N/A THR 142.A OG1 ASP 138.A O no hydrogen 2.773 N/A LYS 143.A N ALA 139.A O no hydrogen 3.104 N/A LYS 144.A N ASP 140.A O no hydrogen 3.059 N/A ILE 145.A N LYS 141.A O no hydrogen 2.856 N/A THR 146.A N THR 142.A O no hydrogen 2.856 N/A THR 146.A OG1 THR 142.A O no hydrogen 2.798 N/A ASP 147.A N LYS 143.A O no hydrogen 2.912 N/A SER 148.A N LYS 144.A O no hydrogen 3.033 N/A SER 148.A OG LYS 144.A O no hydrogen 3.165 N/A VAL 149.A N ILE 145.A O no hydrogen 2.900 N/A SER 150.A N THR 146.A O no hydrogen 2.895 N/A GLN 151.A N ASP 147.A O no hydrogen 2.941 N/A PHE 152.A N SER 148.A O no hydrogen 2.857 N/A PHE 153.A N VAL 149.A O no hydrogen 2.935 N/A LYS 154.A N SER 150.A O no hydrogen 3.121 N/A LYS 154.A NZ GLU 158.A OE1 no hydrogen 2.963 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 3.561 N/A ALA 155.A N GLN 151.A O no hydrogen 3.110 N/A TYR 156.A N PHE 152.A O no hydrogen 2.760 N/A TYR 157.A N PHE 153.A O no hydrogen 3.033 N/A TYR 157.A OH GLN 216.A OE1 no hydrogen 2.803 N/A GLU 158.A N LYS 154.A O no hydrogen 3.014 N/A GLU 158.A N ALA 155.A O no hydrogen 3.317 N/A GLN 159.A N ALA 155.A O no hydrogen 2.809 N/A ASN 160.A N GLN 163.A OE1 no hydrogen 3.079 N/A GLN 161.A NE2 ASP 165.A OD1 no hydrogen 2.829 N/A GLN 161.A NE2 ILE 174.A O no hydrogen 3.072 N/A GLN 163.A N ASN 160.A OD1 no hydrogen 2.845 N/A ILE 164.A N ASN 160.A O no hydrogen 3.002 N/A ASP 165.A N GLN 161.A O no hydrogen 2.843 N/A PHE 167.A N ILE 164.A O no hydrogen 2.863 N/A LEU 168.A N ASP 165.A O no hydrogen 3.173 N/A VAL 169.A N VAL 231.A O no hydrogen 3.017 N/A ALA 172.A N VAL 169.A O no hydrogen 3.130 N/A ILE 174.A N ALA 172.A O no hydrogen 3.146 N/A GLY 176.A N GLN 161.A OE1 no hydrogen 3.057 N/A ALA 177.A N TYR 156.A O no hydrogen 2.933 N/A GLN 179.A NE2 GLU 158.A O no hydrogen 2.938 N/A LYS 180.A NZ.B ALA 177.A O no hydrogen 2.752 N/A PHE 181.A N TYR 157.A O no hydrogen 3.431 N/A SER 182.A N ASP 208.A O no hydrogen 3.107 N/A PHE 183.A N GLU 158.A OE2 no hydrogen 2.756 N/A ASN 184.A N ASN 206.A O no hydrogen 3.170 N/A ASN 184.A ND2 ASN 206.A OD1 no hydrogen 2.720 N/A ASN 184.A ND2 ASP 208.A OD1 no hydrogen 3.083 N/A LYS 185.A NZ ASP 187.A OD1 no hydrogen 2.798 N/A ASP 187.A N ASP 204.A O no hydrogen 2.688 N/A ARG 188.A N ASP 204.A O no hydrogen 3.104 N/A ASN 190.A N ILE 202.A O no hydrogen 2.856 N/A TYR 192.A N LEU 200.A O no hydrogen 2.797 N/A LYS 193.A N THR 134.A O no hydrogen 2.900 N/A LEU 194.A N GLU 198.A O no hydrogen 2.772 N/A SER 195.A N GLU 198.A O no hydrogen 3.182 N/A GLU 198.A N SER 195.A O no hydrogen 3.243 N/A PHE 199.A N VAL 222.A O no hydrogen 2.861 N/A LEU 200.A N TYR 192.A O no hydrogen 2.771 N/A ALA 201.A N LEU 220.A O no hydrogen 2.873 N/A ILE 202.A N ASN 190.A O no hydrogen 2.810 N/A VAL 203.A N PHE 218.A O no hydrogen 2.862 N/A ASP 204.A N ARG 188.A O no hydrogen 2.892 N/A LEU 205.A N GLN 216.A O no hydrogen 3.029 N/A ASN 206.A N LYS 185.A O no hydrogen 3.185 N/A ASN 206.A ND2 ASP 187.A OD2 no hydrogen 2.837 N/A VAL 207.A N ILE 214.A O no hydrogen 3.004 N/A ASP 208.A N SER 182.A O no hydrogen 2.821 N/A SER 209.A N ASN 212.A O no hydrogen 2.993 N/A ASN 212.A N SER 209.A O no hydrogen 3.120 N/A ILE 214.A N VAL 207.A O no hydrogen 2.804 N/A GLN 216.A N LEU 205.A O no hydrogen 2.836 N/A GLN 216.A NE2 LYS 215.A O no hydrogen 2.867 N/A PHE 218.A N VAL 203.A O no hydrogen 2.849 N/A ASN 219.A N GLU 235.A O no hydrogen 2.841 N/A ASN 219.A ND2 ARG 237.A O no hydrogen 2.948 N/A LEU 220.A N ALA 201.A O no hydrogen 2.847 N/A THR 221.A N THR 233.A OG1 no hydrogen 2.809 N/A THR 221.A OG1 THR 233.A OG1 no hydrogen 3.236 N/A VAL 222.A N PHE 199.A O no hydrogen 2.740 N/A VAL 223.A N LEU 230.A O no hydrogen 2.798 N/A GLN 224.A N LYS 197.A O no hydrogen 2.710 N/A GLU 225.A N LYS 228.A O no hydrogen 2.861 N/A LYS 228.A N GLU 225.A O no hydrogen 2.951 N/A LEU 230.A N VAL 223.A O no hydrogen 2.803 N/A VAL 231.A N PHE 167.A O no hydrogen 2.834 N/A LYS 232.A N THR 221.A O no hydrogen 2.741 N/A THR 233.A N THR 221.A O no hydrogen 3.384 N/A GLU 235.A N ASN 219.A O no hydrogen 3.014 N/A SER 239.A OG ASN 128.A OD1 no hydrogen 2.598 N/A ASN 240.A N LYS 129.A O no hydrogen 2.819 N/A ASN 240.A ND2 ASN 128.A OD1 no hydrogen 3.172 N/A ASN 244.A N ASP 242.A OD1 no hydrogen 2.980 N/A