Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N THR 49.A O no hydrogen 2.764 N/A LYS 3.A N ASP 81.A OD2 no hydrogen 2.820 N/A LYS 3.A NZ GLU 40.A OE1 no hydrogen 3.003 N/A LYS 3.A NZ ASN 51.A OD1 no hydrogen 3.341 N/A VAL 4.A N ASN 51.A O no hydrogen 2.745 N/A ALA 5.A N LEU 82.A O no hydrogen 3.197 N/A LEU 6.A N ILE 53.A O no hydrogen 2.734 N/A ALA 7.A N ILE 84.A O no hydrogen 2.925 N/A CYS 9.A SG THR 58.A O no hydrogen 3.714 N/A LYS 14.A NZ CYS 9.A O no hydrogen 2.975 N/A THR 15.A OG1 ASP 54.A OD2 no hydrogen 2.554 N/A LEU 17.A N GLY 13.A O no hydrogen 3.107 N/A PHE 18.A N LYS 14.A O no hydrogen 2.854 N/A ASN 19.A N THR 15.A O no hydrogen 2.731 N/A ALA 20.A N SER 16.A O no hydrogen 2.941 N/A LEU 21.A N LEU 17.A O no hydrogen 3.056 N/A LEU 21.A N PHE 18.A O no hydrogen 3.252 N/A THR 22.A N PHE 18.A O no hydrogen 2.957 N/A THR 22.A OG1 PHE 18.A O no hydrogen 2.899 N/A THR 22.A OG1 GLN 26.A OE1 no hydrogen 3.312 N/A GLY 23.A N ASN 19.A O no hydrogen 2.839 N/A LYS 25.A N THR 22.A O no hydrogen 2.929 N/A GLN 26.A N THR 24.A O no hydrogen 2.943 N/A TYR 27.A N GLU 40.A O no hydrogen 2.921 N/A TYR 27.A OH GLU 40.A OE2 no hydrogen 3.252 N/A ALA 29.A N LYS 38.A O no hydrogen 2.855 N/A TRP 31.A N VAL 36.A O no hydrogen 2.991 N/A VAL 34.A N TRP 31.A O no hydrogen 3.196 N/A LYS 38.A N ALA 29.A O no hydrogen 2.618 N/A LYS 38.A NZ TYR 27.A OH no hydrogen 3.312 N/A LYS 38.A NZ GLU 40.A OE2 no hydrogen 2.939 N/A GLU 40.A N TYR 27.A O no hydrogen 3.113 N/A GLY 41.A N LEU 52.A O no hydrogen 2.885 N/A VAL 42.A N LYS 25.A O no hydrogen 3.043 N/A PHE 43.A N ILE 50.A O no hydrogen 3.017 N/A TYR 45.A N TYR 48.A O no hydrogen 3.057 N/A TYR 45.A OH GLU 155.A OE1 no hydrogen 2.647 N/A LYS 46.A NZ GLU 155.A OE1 no hydrogen 2.922 N/A TYR 48.A N TYR 45.A O no hydrogen 2.877 N/A ILE 50.A N PHE 43.A O no hydrogen 2.887 N/A ASN 51.A N VAL 2.A O no hydrogen 2.574 N/A LEU 52.A N GLY 41.A O no hydrogen 2.690 N/A ILE 53.A N VAL 4.A O no hydrogen 2.831 N/A ASP 54.A N LYS 39.A O no hydrogen 2.979 N/A LEU 55.A N LEU 6.A O no hydrogen 3.072 N/A THR 58.A N GLY 8.A O no hydrogen 2.969 N/A SER 60.A OG GLU 101.A OE1 no hydrogen 3.010 N/A SER 60.A OG GLU 101.A OE2 no hydrogen 3.322 N/A LEU 61.A N GLU 101.A OE2 no hydrogen 2.929 N/A GLY 62.A N GLU 68.A OE2 no hydrogen 2.902 N/A TYR 63.A OH ASP 73.A OD1 no hydrogen 2.971 N/A TYR 63.A OH ASP 73.A OD2 no hydrogen 2.676 N/A SER 65.A OG ASP 67.A OD1 no hydrogen 2.680 N/A GLU 68.A N ASP 67.A OD1 no hydrogen 2.938 N/A LYS 69.A N SER 65.A O no hydrogen 2.937 N/A ILE 70.A N ILE 66.A O no hydrogen 2.980 N/A ALA 71.A N ASP 67.A O no hydrogen 2.955 N/A ARG 72.A N GLU 68.A O no hydrogen 2.892 N/A ARG 72.A NH1 LEU 61.A O no hydrogen 2.938 N/A ARG 72.A NH1 ASP 207.A OD1 no hydrogen 2.651 N/A ARG 72.A NH2 ASP 207.A OD1 no hydrogen 3.443 N/A ARG 72.A NH2 ASP 207.A OD2 no hydrogen 2.847 N/A ARG 72.A NH2 GLU 209.A OE2 no hydrogen 2.973 N/A ASP 73.A N LYS 69.A O no hydrogen 2.876 N/A TYR 74.A N ILE 70.A O no hydrogen 2.982 N/A TYR 74.A OH ASP 79.A OD1 no hydrogen 3.245 N/A LEU 75.A N ALA 71.A O no hydrogen 2.979 N/A LEU 76.A N ARG 72.A O no hydrogen 2.876 N/A LYS 77.A N ASP 73.A O no hydrogen 2.759 N/A LYS 77.A NZ ASP 73.A OD1 no hydrogen 2.930 N/A LYS 77.A NZ GLU 209.A OE1 no hydrogen 2.689 N/A GLY 78.A N TYR 74.A O no hydrogen 2.816 N/A ASP 81.A N LYS 3.A O no hydrogen 2.726 N/A LEU 82.A N LYS 3.A O no hydrogen 3.399 N/A VAL 83.A N LYS 108.A O no hydrogen 2.812 N/A ILE 84.A N ALA 5.A O no hydrogen 2.835 N/A LEU 85.A N ILE 110.A O no hydrogen 2.897 N/A VAL 86.A N ALA 7.A O no hydrogen 2.865 N/A ALA 87.A N ALA 112.A O no hydrogen 2.846 N/A ASP 88.A N SER 95.A OG no hydrogen 3.317 N/A SER 89.A N THR 114.A O no hydrogen 3.157 N/A SER 89.A OG THR 114.A O no hydrogen 2.737 N/A VAL 90.A N ASP 88.A OD1 no hydrogen 3.088 N/A ASN 91.A ND2 ASP 88.A OD2 no hydrogen 3.283 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.799 N/A LEU 96.A N PRO 92.A O no hydrogen 2.917 N/A TYR 97.A N GLU 93.A O no hydrogen 3.017 N/A LEU 98.A N GLN 94.A O no hydrogen 3.079 N/A LEU 99.A N SER 95.A O no hydrogen 2.816 N/A LEU 100.A N LEU 96.A O no hydrogen 3.044 N/A GLU 101.A N TYR 97.A O no hydrogen 3.381 N/A ILE 102.A N LEU 98.A O no hydrogen 3.220 N/A LEU 103.A N LEU 99.A O no hydrogen 2.899 N/A GLU 104.A N LEU 100.A O no hydrogen 3.172 N/A MET 105.A N ILE 102.A O no hydrogen 2.900 N/A GLU 106.A N LEU 103.A O no hydrogen 2.922 N/A LYS 108.A NZ TYR 160.A O no hydrogen 2.876 N/A LYS 108.A NZ LYS 163.A O no hydrogen 2.614 N/A ILE 110.A N VAL 83.A O no hydrogen 2.839 N/A LEU 111.A N PRO 138.A O no hydrogen 2.964 N/A ALA 112.A N LEU 85.A O no hydrogen 2.873 N/A MET 113.A N VAL 140.A O no hydrogen 2.870 N/A THR 114.A N ALA 87.A O no hydrogen 2.882 N/A THR 114.A OG1 THR 142.A O no hydrogen 3.397 N/A THR 114.A OG1 THR 142.A OG1 no hydrogen 2.811 N/A ILE 116.A N THR 142.A O no hydrogen 3.150 N/A GLU 118.A N ALA 115.A O no hydrogen 3.002 N/A ALA 119.A N ALA 115.A O no hydrogen 3.062 N/A LYS 120.A N ILE 116.A O no hydrogen 2.919 N/A LYS 120.A NZ GLU 148.A OE1 no hydrogen 2.790 N/A LYS 121.A N GLU 118.A O no hydrogen 3.192 N/A THR 122.A N ALA 119.A O no hydrogen 3.112 N/A THR 122.A OG1 ALA 119.A O no hydrogen 2.878 N/A GLY 123.A N LYS 120.A O no hydrogen 3.233 N/A MET 124.A N THR 122.A OG1 no hydrogen 3.065 N/A ASP 127.A N ALA 249.A O no hydrogen 2.817 N/A ARG 128.A NH1 VAL 139.A O no hydrogen 3.184 N/A GLU 130.A N ASP 127.A OD1 no hydrogen 3.266 N/A LEU 131.A N ASP 127.A O no hydrogen 3.105 N/A GLN 132.A N ARG 128.A O no hydrogen 2.905 N/A GLN 132.A NE2 VAL 139.A O no hydrogen 3.558 N/A LYS 133.A N TYR 129.A O no hydrogen 2.832 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 2.930 N/A HIS 134.A N GLU 130.A O no hydrogen 3.069 N/A HIS 134.A NE2 GLU 130.A OE1 no hydrogen 3.033 N/A LEU 135.A N LEU 131.A O no hydrogen 2.900 N/A GLY 136.A N GLN 132.A O no hydrogen 2.862 N/A VAL 140.A N LEU 111.A O no hydrogen 2.905 N/A THR 142.A N MET 113.A O no hydrogen 2.914 N/A THR 142.A OG1 THR 114.A OG1 no hydrogen 2.811 N/A SER 143.A N GLU 148.A O no hydrogen 2.895 N/A SER 143.A OG ASP 117.A OD1 no hydrogen 2.680 N/A VAL 145.A N SER 143.A OG no hydrogen 3.071 N/A THR 146.A N SER 143.A OG no hydrogen 3.055 N/A GLY 147.A N SER 143.A O no hydrogen 2.858 N/A GLU 148.A N THR 146.A OG1 no hydrogen 3.102 N/A LEU 150.A N GLY 147.A O no hydrogen 3.260 N/A LEU 153.A N GLY 149.A O no hydrogen 2.774 N/A LYS 154.A N LEU 150.A O no hydrogen 3.036 N/A LYS 154.A NZ GLU 151.A OE2 no hydrogen 2.805 N/A GLU 155.A N GLU 151.A O no hydrogen 2.977 N/A LYS 156.A N GLU 152.A O no hydrogen 2.877 N/A ILE 157.A N LEU 153.A O no hydrogen 2.877 N/A VAL 158.A N LYS 154.A O no hydrogen 3.218 N/A GLU 159.A N GLU 155.A O no hydrogen 2.901 N/A TYR 160.A N LYS 156.A O no hydrogen 2.837 N/A TYR 160.A OH ILE 166.A O no hydrogen 2.960 N/A ALA 161.A N ILE 157.A O no hydrogen 2.840 N/A LYS 163.A N TYR 160.A O no hydrogen 3.157 N/A LYS 163.A NZ GLU 159.A O no hydrogen 3.430 N/A ARG 167.A NH1 GLU 106.A OE2 no hydrogen 3.046 N/A TYR 172.A N GLU 177.A OE2 no hydrogen 2.827 N/A TYR 172.A OH GLU 104.A OE2 no hydrogen 2.443 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 2.818 N/A LYS 175.A NZ GLU 179.A OE2 no hydrogen 2.816 N/A GLU 177.A N GLY 173.A O no hydrogen 2.944 N/A SER 178.A N GLU 174.A O no hydrogen 2.954 N/A GLU 179.A N LYS 175.A O no hydrogen 3.115 N/A ILE 180.A N VAL 176.A O no hydrogen 2.875 N/A LYS 181.A N GLU 177.A O no hydrogen 3.095 N/A LYS 182.A N SER 178.A O no hydrogen 3.118 N/A LYS 182.A NZ GLU 179.A OE2 no hydrogen 3.032 N/A VAL 183.A N GLU 179.A O no hydrogen 2.965 N/A GLU 184.A N ILE 180.A O no hydrogen 2.826 N/A ASN 185.A N LYS 181.A O no hydrogen 2.860 N/A PHE 186.A N LYS 182.A O no hydrogen 3.000 N/A LEU 187.A N VAL 183.A O no hydrogen 2.963 N/A ARG 188.A N ASN 185.A O no hydrogen 3.228 N/A LYS 190.A N LEU 187.A O no hydrogen 2.894 N/A ASN 195.A ND2 GLU 104.A O no hydrogen 3.102 N/A ARG 197.A NH1 GLU 177.A OE2 no hydrogen 2.747 N/A ARG 197.A NH2 GLU 177.A OE1 no hydrogen 2.997 N/A TYR 198.A N ASN 195.A OD1 no hydrogen 2.831 N/A PHE 199.A N ASN 195.A O no hydrogen 3.140 N/A ALA 200.A N PRO 196.A O no hydrogen 2.824 N/A LEU 201.A N ARG 197.A O no hydrogen 2.936 N/A LYS 202.A N TYR 198.A O no hydrogen 3.085 N/A LYS 202.A NZ LEU 61.A O no hydrogen 3.079 N/A TYR 203.A N PHE 199.A O no hydrogen 2.885 N/A TYR 203.A OH PRO 220.A O no hydrogen 2.684 N/A LEU 204.A N ALA 200.A O no hydrogen 2.892 N/A SER 205.A N LEU 201.A O no hydrogen 3.096 N/A SER 205.A OG LEU 201.A O no hydrogen 2.780 N/A GLY 206.A N TYR 203.A O no hydrogen 3.023 N/A ASP 207.A N LYS 202.A O no hydrogen 2.992 N/A GLU 209.A N ASP 207.A OD2 no hydrogen 2.901 N/A PHE 210.A N ASP 207.A OD2 no hydrogen 2.979 N/A TYR 211.A N ASP 207.A O no hydrogen 2.815 N/A SER 212.A OG PRO 208.A O no hydrogen 3.017 N/A GLU 213.A N GLU 209.A O no hydrogen 2.889 N/A GLY 214.A N PHE 210.A O no hydrogen 2.819 N/A VAL 215.A N TYR 211.A O no hydrogen 3.078 N/A LYS 216.A N SER 212.A O no hydrogen 3.152 N/A LYS 216.A NZ SER 212.A O no hydrogen 3.251 N/A LEU 217.A N GLU 213.A O no hydrogen 3.068 N/A LEU 217.A N GLY 214.A O no hydrogen 2.934 N/A GLY 218.A N VAL 215.A O no hydrogen 3.132 N/A LEU 219.A N GLY 214.A O no hydrogen 3.030 N/A LEU 222.A N TYR 211.A OH no hydrogen 2.785 N/A SER 223.A N GLU 226.A OE1 no hydrogen 2.739 N/A SER 223.A OG GLU 226.A OE1 no hydrogen 3.262 N/A GLU 226.A N SER 223.A OG no hydrogen 2.968 N/A ARG 227.A N SER 223.A O no hydrogen 2.996 N/A ARG 227.A NE LEU 222.A O no hydrogen 2.997 N/A ARG 227.A NH2 LEU 222.A O no hydrogen 3.088 N/A ILE 228.A N GLU 224.A O no hydrogen 2.935 N/A GLY 229.A N GLU 225.A O no hydrogen 2.941 N/A TYR 230.A N GLU 226.A O no hydrogen 2.847 N/A ARG 231.A N ARG 227.A O no hydrogen 2.954 N/A ARG 231.A NH2 SER 205.A O no hydrogen 2.686 N/A LEU 232.A N ILE 228.A O no hydrogen 3.058 N/A LEU 233.A N GLY 229.A O no hydrogen 3.096 N/A ILE 234.A N TYR 230.A O no hydrogen 2.986 N/A ALA 235.A N ARG 231.A O no hydrogen 3.074 N/A LYS 236.A N LEU 232.A O no hydrogen 2.872 N/A ARG 237.A N LEU 233.A O no hydrogen 3.017 N/A ARG 237.A NE ASP 171.A O no hydrogen 2.938 N/A ARG 237.A NH1 ARG 237.A O no hydrogen 3.265 N/A LYS 238.A N ILE 234.A O no hydrogen 3.036 N/A LYS 238.A NZ GLU 104.A OE1 no hydrogen 2.861 N/A LYS 238.A NZ TYR 172.A OH no hydrogen 2.729 N/A ARG 239.A N ALA 235.A O no hydrogen 2.911 N/A GLU 240.A N LYS 236.A O no hydrogen 3.000 N/A TYR 241.A N ARG 237.A O no hydrogen 3.027 N/A TYR 241.A OH HIS 134.A O no hydrogen 2.678 N/A VAL 242.A N LYS 238.A O no hydrogen 2.966 N/A GLU 243.A N ARG 239.A O no hydrogen 2.908 N/A ASN 244.A N GLU 240.A O no hydrogen 3.095 N/A VAL 245.A N TYR 241.A O no hydrogen 2.915 N/A VAL 246.A N VAL 242.A O no hydrogen 2.929 N/A LYS 247.A N GLU 243.A O no hydrogen 3.017 N/A GLU 248.A N ASN 244.A O no hydrogen 3.051 N/A ALA 249.A N VAL 245.A O no hydrogen 2.903 N/A PHE 250.A N VAL 246.A O no hydrogen 2.972 N/A ALA 251.A N LYS 125.A O no hydrogen 2.951 N/A