Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7dml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLY 30.A O no hydrogen 2.999 N/A ASN 4.A N THR 32.A O no hydrogen 2.697 N/A SER 6.A N ASN 4.A OD1 no hydrogen 3.283 N/A SER 6.A OG ASN 4.A OD1 no hydrogen 2.577 N/A TRP 7.A N ASN 4.A O no hydrogen 3.377 N/A TRP 7.A NE1 GLU 236.A OE2 no hydrogen 2.807 N/A ASN 8.A N LYS 5.A O no hydrogen 2.916 N/A ALA 9.A N SER 6.A O no hydrogen 3.054 N/A HIS 10.A N TRP 7.A O no hydrogen 2.847 N/A HIS 10.A NE2 GLN 235.A OE1 no hydrogen 2.961 N/A THR 12.A N ASN 8.A O no hydrogen 2.847 N/A THR 12.A OG1 ASN 8.A O no hydrogen 3.016 N/A GLU 13.A N ALA 9.A O no hydrogen 2.933 N/A HIS 14.A N PHE 11.A O no hydrogen 2.978 N/A LYS 15.A N THR 12.A O no hydrogen 2.930 N/A SER 16.A N PHE 11.A O no hydrogen 3.012 N/A SER 16.A OG HIS 14.A O no hydrogen 2.980 N/A VAL 19.A N ASN 213.A O no hydrogen 2.796 N/A VAL 20.A N ASN 33.A OD1 no hydrogen 2.861 N/A VAL 21.A N ALA 211.A O no hydrogen 2.910 N/A LEU 22.A N PHE 31.A O no hydrogen 2.798 N/A TRP 23.A N PHE 209.A O no hydrogen 2.831 N/A TRP 23.A NE1 GLU 25.A OE2 no hydrogen 3.105 N/A ASN 24.A N GLN 29.A O no hydrogen 2.838 N/A GLU 25.A N VAL 207.A O no hydrogen 3.086 N/A ASN 26.A N ASN 206.A OD1 no hydrogen 2.973 N/A ASN 26.A ND2 ASP 205.A O no hydrogen 2.740 N/A LYS 27.A N ASN 24.A OD1 no hydrogen 2.975 N/A GLN 28.A N GLU 25.A O no hydrogen 3.365 N/A GLN 28.A NE2 GLU 25.A O no hydrogen 2.859 N/A GLN 29.A N ASN 24.A O no hydrogen 3.366 N/A PHE 31.A N LEU 22.A O no hydrogen 2.837 N/A THR 32.A N GLN 2.A O no hydrogen 3.023 N/A THR 32.A OG1 VAL 20.A O no hydrogen 2.809 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 2.744 N/A ASN 33.A ND2 GLY 18.A O no hydrogen 3.022 N/A ASN 34.A N THR 32.A OG1 no hydrogen 3.300 N/A LEU 35.A N GLU 3.A OE1 no hydrogen 2.904 N/A ARG 37.A N ASN 34.A OD1 no hydrogen 3.024 N/A ARG 37.A NE ASN 213.A OD1 no hydrogen 2.795 N/A ARG 37.A NH1 ASN 213.A OD1 no hydrogen 2.920 N/A ARG 37.A NH1 ASP 215.A OD1 no hydrogen 3.030 N/A ARG 37.A NH2 ASP 215.A OD1 no hydrogen 3.028 N/A ALA 38.A N ASN 34.A O no hydrogen 2.798 N/A ASN 39.A N LYS 36.A O no hydrogen 3.084 N/A ASN 39.A ND2 LEU 35.A O no hydrogen 2.914 N/A GLN 40.A N ARG 37.A O no hydrogen 3.030 N/A PHE 42.A N ILE 139.A O no hydrogen 2.876 N/A ALA 45.A N TRP 132.A O no hydrogen 2.973 N/A SER 46.A OG SER 93.A OG no hydrogen 2.795 N/A THR 47.A N PRO 44.A O no hydrogen 3.015 N/A THR 47.A OG1 PRO 44.A O no hydrogen 2.716 N/A PHE 48.A N ALA 45.A O no hydrogen 2.895 N/A ASN 51.A N PHE 48.A O no hydrogen 2.911 N/A ASN 51.A ND2 TYR 98.A O no hydrogen 3.395 N/A LEU 53.A N ILE 49.A O no hydrogen 3.135 N/A ILE 54.A N PRO 50.A O no hydrogen 2.962 N/A ALA 55.A N ASN 51.A O no hydrogen 2.882 N/A LEU 56.A N SER 52.A O no hydrogen 2.932 N/A ASP 57.A N LEU 53.A O no hydrogen 2.981 N/A LEU 58.A N ILE 54.A O no hydrogen 2.961 N/A GLY 59.A N LEU 56.A O no hydrogen 3.111 N/A VAL 61.A N ALA 55.A O no hydrogen 3.106 N/A LYS 62.A N GLN 66.A OE1 no hydrogen 2.708 N/A LYS 62.A NZ GLY 59.A O no hydrogen 3.046 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.674 N/A HIS 65.A N ASP 63.A OD1 no hydrogen 2.756 N/A GLN 66.A N ASP 63.A O no hydrogen 3.339 N/A GLN 66.A N ASP 63.A OD1 no hydrogen 2.965 N/A PHE 68.A N HIS 84.A O no hydrogen 2.724 N/A LYS 69.A NZ ASP 83.A OD1 no hydrogen 3.529 N/A LYS 69.A NZ ASP 83.A OD2 no hydrogen 2.816 N/A TRP 70.A N ASP 83.A OD1 no hydrogen 2.918 N/A TRP 70.A NE1 GLN 73.A O no hydrogen 2.815 N/A GLN 73.A N ASP 71.A OD1 no hydrogen 3.005 N/A ARG 75.A N ASN 81.A OD1 no hydrogen 2.851 N/A ARG 75.A NH1 ASP 71.A OD2 no hydrogen 2.749 N/A ARG 75.A NH2 ASP 71.A OD1 no hydrogen 2.981 N/A ARG 75.A NH2 ASP 71.A OD2 no hydrogen 3.555 N/A TRP 80.A N ILE 77.A O no hydrogen 2.960 N/A TRP 80.A NE1 TYR 92.A O no hydrogen 2.985 N/A ASN 81.A N ALA 78.A O no hydrogen 2.957 N/A ASN 81.A ND2 ARG 75.A O no hydrogen 2.981 N/A HIS 84.A N PHE 68.A O no hydrogen 3.136 N/A HIS 84.A ND1 THR 88.A OG1 no hydrogen 2.780 N/A HIS 84.A NE2 THR 79.A O no hydrogen 2.770 N/A ASN 85.A N THR 88.A OG1 no hydrogen 3.172 N/A THR 88.A N ASN 85.A OD1 no hydrogen 2.903 N/A THR 88.A OG1 HIS 84.A ND1 no hydrogen 2.780 N/A THR 88.A OG1 ASN 85.A O no hydrogen 3.492 N/A THR 88.A OG1 ASN 85.A OD1 no hydrogen 3.471 N/A ALA 89.A N ASN 85.A O no hydrogen 2.822 N/A MET 90.A N LEU 86.A O no hydrogen 3.077 N/A LYS 91.A N ILE 87.A O no hydrogen 3.044 N/A TYR 92.A N THR 88.A O no hydrogen 2.918 N/A SER 93.A N MET 90.A O no hydrogen 3.184 N/A SER 93.A OG SER 46.A OG no hydrogen 2.795 N/A VAL 94.A N ALA 89.A O no hydrogen 2.919 N/A VAL 97.A N VAL 94.A O no hydrogen 3.127 N/A TYR 98.A N VAL 94.A O no hydrogen 3.461 N/A TYR 98.A OH SER 52.A OG no hydrogen 2.792 N/A GLN 99.A N VAL 95.A O no hydrogen 2.828 N/A GLN 99.A NE2 ASP 129.A O no hydrogen 2.851 N/A GLU 100.A N PRO 96.A O no hydrogen 3.306 N/A PHE 101.A N VAL 97.A O no hydrogen 3.133 N/A ALA 102.A N TYR 98.A O no hydrogen 2.961 N/A ARG 103.A N.A GLN 99.A O no hydrogen 3.051 N/A ARG 103.A N.B GLN 99.A O no hydrogen 3.056 N/A ARG 103.A NE.A ASP 129.A OD2 no hydrogen 2.851 N/A ARG 103.A NE.B GLU 100.A OE1 no hydrogen 3.188 N/A ARG 103.A NH1.A ASP 129.A OD2 no hydrogen 2.972 N/A ARG 103.A NH1.B GLU 100.A OE1 no hydrogen 2.904 N/A ARG 103.A NH2.A GLU 100.A OE1 no hydrogen 2.987 N/A ARG 103.A NH2.B ASP 129.A OD2 no hydrogen 2.701 N/A GLN 104.A N GLU 100.A O no hydrogen 2.991 N/A GLN 104.A NE2 GLU 100.A OE2 no hydrogen 2.862 N/A ILE 105.A N PHE 101.A O no hydrogen 2.696 N/A GLY 106.A N ALA 102.A O no hydrogen 2.805 N/A ARG 109.A NE ILE 105.A O no hydrogen 2.998 N/A ARG 109.A NH1 GLN 104.A O no hydrogen 3.098 N/A ARG 109.A NH1 ILE 105.A O no hydrogen 3.253 N/A MET 110.A N GLY 106.A O no hydrogen 2.942 N/A SER 111.A N GLU 107.A O no hydrogen 2.967 N/A LYS 112.A N ALA 108.A O no hydrogen 3.060 N/A MET 113.A N ARG 109.A O no hydrogen 2.967 N/A LEU 114.A N MET 110.A O no hydrogen 3.022 N/A HIS 115.A N SER 111.A O no hydrogen 3.086 N/A HIS 115.A ND1 GLU 122.A OE1 no hydrogen 2.648 N/A ALA 116.A N LYS 112.A O no hydrogen 2.893 N/A PHE 117.A N MET 113.A O no hydrogen 2.755 N/A ASP 118.A N HIS 115.A O no hydrogen 2.956 N/A TYR 119.A N LEU 114.A O no hydrogen 3.005 N/A ASN 121.A N ARG 138.A O no hydrogen 2.909 N/A ASN 121.A ND2 GLY 136.A O no hydrogen 3.014 N/A GLU 122.A N TYR 119.A O no hydrogen 2.971 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 3.259 N/A SER 125.A N ASP 123.A OD1 no hydrogen 2.785 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 2.698 N/A ASN 127.A ND2 SER 130.A OG no hydrogen 3.120 N/A SER 130.A N ASN 127.A O no hydrogen 2.990 N/A SER 130.A OG ASP 134.A OD1 no hydrogen 2.795 N/A LEU 133.A N SER 130.A O no hydrogen 2.721 N/A ASP 134.A N SER 130.A O no hydrogen 2.918 N/A GLY 135.A N PHE 131.A O no hydrogen 2.870 N/A GLY 136.A N SER 125.A O no hydrogen 2.782 N/A ARG 138.A N ASN 121.A OD1 no hydrogen 2.962 N/A ARG 138.A NH1 GLY 135.A O no hydrogen 2.799 N/A ARG 138.A NH1 ILE 137.A O no hydrogen 2.745 N/A ARG 138.A NH2 GLY 135.A O no hydrogen 3.217 N/A ILE 139.A N PHE 42.A O no hydrogen 2.834 N/A SER 140.A N GLU 143.A OE1 no hydrogen 2.958 N/A SER 140.A OG THR 142.A OG1 no hydrogen 3.094 N/A THR 142.A N ALA 38.A O no hydrogen 3.121 N/A THR 142.A OG1 ALA 38.A O no hydrogen 3.474 N/A THR 142.A OG1 ASN 39.A OD1 no hydrogen 2.739 N/A THR 142.A OG1 SER 140.A OG no hydrogen 3.094 N/A GLU 143.A N SER 140.A OG no hydrogen 3.115 N/A GLN 144.A N SER 140.A O no hydrogen 2.891 N/A GLN 144.A NE2 THR 47.A OG1 no hydrogen 2.998 N/A ILE 145.A N ALA 141.A O no hydrogen 3.099 N/A SER 146.A N THR 142.A O no hydrogen 3.040 N/A SER 146.A OG THR 142.A O no hydrogen 3.367 N/A PHE 147.A N GLU 143.A O no hydrogen 3.055 N/A LEU 148.A N GLN 144.A O no hydrogen 2.839 N/A ARG 149.A N ILE 145.A O no hydrogen 2.859 N/A ARG 149.A NE GLU 25.A OE2 no hydrogen 2.685 N/A ARG 149.A NH1 GLU 25.A OE1 no hydrogen 2.938 N/A LYS 150.A N SER 146.A O no hydrogen 3.355 N/A LEU 151.A N PHE 147.A O no hydrogen 3.126 N/A TYR 152.A N LEU 148.A O no hydrogen 2.816 N/A HIS 153.A N ARG 149.A O no hydrogen 3.134 N/A HIS 153.A NE2 GLU 25.A OE1 no hydrogen 2.777 N/A ASN 154.A N LEU 151.A O no hydrogen 3.054 N/A LYS 155.A N LYS 150.A O no hydrogen 2.752 N/A LEU 156.A N GLN 163.A OE1 no hydrogen 2.978 N/A SER 159.A N ASP 57.A OD1 no hydrogen 2.824 N/A SER 159.A OG ASP 57.A OD1 no hydrogen 3.085 N/A SER 159.A OG SER 162.A OG no hydrogen 3.154 N/A ARG 161.A NH1 LYS 62.A O no hydrogen 2.852 N/A ARG 161.A NH2 LYS 62.A O no hydrogen 3.442 N/A SER 162.A N SER 159.A OG no hydrogen 2.963 N/A SER 162.A OG ASP 57.A OD1 no hydrogen 2.817 N/A SER 162.A OG SER 159.A OG no hydrogen 3.154 N/A GLN 163.A N SER 159.A O no hydrogen 3.246 N/A GLN 163.A NE2 LEU 156.A O no hydrogen 3.517 N/A GLN 163.A NE2 SER 159.A O no hydrogen 3.157 N/A ARG 164.A N GLU 160.A O no hydrogen 2.855 N/A ARG 164.A NE GLU 160.A OE2 no hydrogen 2.786 N/A ARG 164.A NH2 GLU 160.A OE2 no hydrogen 3.304 N/A ILE 165.A N ARG 161.A O no hydrogen 2.909 N/A VAL 166.A N SER 162.A O no hydrogen 3.073 N/A LYS 167.A N GLN 163.A O no hydrogen 2.994 N/A LYS 167.A NZ LEU 151.A O no hydrogen 2.863 N/A LYS 167.A NZ TYR 152.A O no hydrogen 3.042 N/A LYS 167.A NZ ASN 154.A OD1 no hydrogen 2.741 N/A GLN 168.A N ARG 164.A O no hydrogen 2.976 N/A ALA 169.A N ILE 165.A O no hydrogen 2.898 N/A MET 170.A N VAL 166.A O no hydrogen 2.769 N/A LEU 171.A N GLN 168.A O no hydrogen 3.072 N/A THR 172.A N ILE 180.A O no hydrogen 2.983 N/A THR 172.A OG1 MET 170.A O no hydrogen 2.995 N/A THR 172.A OG1 ALA 182.A O no hydrogen 3.503 N/A GLU 173.A N ILE 180.A O no hydrogen 3.290 N/A ASN 175.A N TYR 178.A O no hydrogen 2.982 N/A ASP 177.A N ASN 175.A OD1 no hydrogen 2.627 N/A TYR 178.A N ASN 175.A OD1 no hydrogen 2.998 N/A TYR 178.A OH GLU 173.A OE2 no hydrogen 2.530 N/A ILE 179.A N GLU 202.A O no hydrogen 3.117 N/A ILE 180.A N GLU 173.A O no hydrogen 2.748 N/A ARG 181.A N TRP 200.A O no hydrogen 3.130 N/A ARG 181.A NE GLU 202.A OE1 no hydrogen 2.920 N/A ARG 181.A NH1 LYS 167.A O no hydrogen 2.915 N/A ALA 182.A N MET 170.A O no hydrogen 2.910 N/A LYS 183.A N VAL 198.A O no hydrogen 2.817 N/A LYS 183.A NZ SER 93.A OG no hydrogen 2.980 N/A LYS 183.A NZ THR 184.A O no hydrogen 2.846 N/A LYS 183.A NZ THR 184.A OG1 no hydrogen 3.162 N/A GLY 185.A N TRP 196.A O no hydrogen 2.974 N/A TYR 186.A OH MET 216.A O no hydrogen 3.047 N/A SER 187.A N ILE 194.A O no hydrogen 2.894 N/A ARG 189.A NH1 ASP 134.A OD2 no hydrogen 2.961 N/A LYS 193.A NZ GLU 191.A OE1 no hydrogen 2.708 N/A ILE 194.A N SER 187.A O no hydrogen 3.145 N/A GLY 195.A N MET 214.A O no hydrogen 2.820 N/A TRP 196.A N GLY 185.A O no hydrogen 2.797 N/A TRP 196.A NE1 LEU 43.A O no hydrogen 2.774 N/A TRP 197.A N MET 212.A O no hydrogen 3.017 N/A VAL 198.A N LYS 183.A O no hydrogen 3.138 N/A GLY 199.A N PHE 210.A O no hydrogen 2.897 N/A TRP 200.A N ARG 181.A O no hydrogen 2.841 N/A TRP 200.A NE1 GLU 202.A OE1 no hydrogen 2.948 N/A VAL 201.A N TRP 208.A O no hydrogen 2.736 N/A GLU 202.A N ILE 179.A O no hydrogen 2.743 N/A LEU 203.A N ASN 206.A O no hydrogen 2.946 N/A ASN 206.A ND2 ASN 24.A OD1 no hydrogen 2.956 N/A VAL 207.A N ASN 206.A OD1 no hydrogen 2.855 N/A TRP 208.A N VAL 201.A O no hydrogen 2.897 N/A PHE 209.A N TRP 23.A O no hydrogen 2.957 N/A PHE 210.A N GLY 199.A O no hydrogen 2.863 N/A ALA 211.A N VAL 21.A O no hydrogen 2.966 N/A MET 212.A N TRP 197.A O no hydrogen 2.866 N/A ASN 213.A N VAL 19.A O no hydrogen 3.017 N/A MET 214.A N GLY 195.A O no hydrogen 2.922 N/A ASP 215.A N GLN 17.A O no hydrogen 2.943 N/A MET 216.A N LYS 193.A O no hydrogen 2.884 N/A GLY 221.A N THR 218.A O no hydrogen 3.499 N/A LEU 222.A N SER 219.A O no hydrogen 3.331 N/A LEU 224.A N GLY 221.A O no hydrogen 2.835 N/A ARG 225.A N LEU 222.A O no hydrogen 3.039 N/A ARG 225.A NE LEU 222.A O no hydrogen 2.843 N/A ARG 225.A NH2 GLY 185.A O no hydrogen 2.818 N/A GLN 226.A N GLN 226.A OE1 no hydrogen 2.859 N/A ALA 227.A N GLY 223.A O no hydrogen 3.151 N/A ILE 228.A N LEU 224.A O no hydrogen 2.929 N/A THR 229.A N ARG 225.A O no hydrogen 3.308 N/A THR 229.A OG1 ARG 225.A O no hydrogen 2.769 N/A LYS 230.A N GLN 226.A O no hydrogen 2.900 N/A LYS 230.A NZ GLU 173.A OE1 no hydrogen 2.647 N/A LYS 230.A NZ GLU 173.A OE2 no hydrogen 3.142 N/A GLU 231.A N ALA 227.A O no hydrogen 2.972 N/A VAL 232.A N ILE 228.A O no hydrogen 3.104 N/A LEU 233.A N THR 229.A O no hydrogen 2.853 N/A LYS 234.A N LYS 230.A O no hydrogen 2.835 N/A GLN 235.A N GLU 231.A O no hydrogen 2.880 N/A GLN 235.A NE2 SER 6.A OG no hydrogen 3.001 N/A GLU 236.A N VAL 232.A O no hydrogen 2.945 N/A LYS 237.A N LYS 234.A O no hydrogen 2.940 N/A ILE 238.A N LEU 233.A O no hydrogen 2.941 N/A ILE 239.A N LEU 233.A O no hydrogen 3.507 N/A