Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mll_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 28.A OE1 no hydrogen 2.950 N/A ILE 3.A N GLN 31.A O no hydrogen 2.998 N/A SER 4.A N ASP 2.A OD1 no hydrogen 3.015 N/A SER 4.A OG ASP 2.A OD1 no hydrogen 2.895 N/A VAL 6.A N ILE 3.A O no hydrogen 2.924 N/A ALA 7.A N ILE 3.A O no hydrogen 3.016 N/A SER 8.A N SER 4.A O no hydrogen 2.929 N/A PHE 11.A N ALA 7.A O no hydrogen 3.106 N/A PHE 11.A N SER 8.A O no hydrogen 3.181 N/A GLU 12.A N PRO 9.A O no hydrogen 3.442 N/A THR 14.A N PHE 11.A O no hydrogen 3.019 N/A THR 14.A OG1 PHE 11.A O no hydrogen 2.773 N/A GLU 15.A N.A THR 224.A O no hydrogen 2.840 N/A GLU 15.A N.B THR 224.A O no hydrogen 2.841 N/A CYS 17.A N ALA 222.A O no hydrogen 2.877 N/A CYS 17.A SG ALA 222.A O no hydrogen 3.753 N/A PHE 18.A N PHE 32.A O no hydrogen 3.081 N/A LEU 19.A N VAL 220.A O no hydrogen 2.888 N/A LEU 20.A N ALA 30.A O no hydrogen 2.948 N/A TYR 21.A N VAL 218.A O no hydrogen 2.954 N/A ASP 22.A N ALA 27.A O no hydrogen 2.868 N/A ALA 23.A N LYS 216.A O no hydrogen 2.784 N/A SER 24.A N ASP 22.A OD1 no hydrogen 2.811 N/A THR 25.A N ASP 22.A OD1 no hydrogen 3.222 N/A ASN 26.A N ASP 22.A O no hydrogen 2.826 N/A ALA 27.A N THR 25.A OG1 no hydrogen 3.215 N/A ILE 29.A N LEU 20.A O no hydrogen 2.741 N/A ALA 30.A N LEU 20.A O no hydrogen 3.294 N/A GLN 31.A N THR 1.A O no hydrogen 2.957 N/A PHE 32.A N PHE 18.A O no hydrogen 2.861 N/A ASN 33.A ND2 GLU 15.A OE2.A no hydrogen 2.959 N/A ASN 33.A ND2 GLY 16.A O no hydrogen 2.761 N/A LYS 34.A NZ GLU 28.A OE2 no hydrogen 2.568 N/A LYS 34.A NZ GLU 147.A OE1.A no hydrogen 2.712 N/A LYS 36.A N ASN 33.A OD1 no hydrogen 3.358 N/A LYS 36.A NZ THR 224.A OG1 no hydrogen 2.902 N/A CYS 37.A N ASN 33.A O no hydrogen 3.105 N/A CYS 37.A SG PHE 32.A O no hydrogen 3.728 N/A CYS 37.A SG ASN 33.A O no hydrogen 3.368 N/A ALA 38.A N LYS 34.A O no hydrogen 3.124 N/A THR 39.A N LYS 36.A O no hydrogen 3.133 N/A THR 39.A OG1 ALA 35.A O no hydrogen 2.989 N/A GLN 40.A NE2 GLU 148.A OE1 no hydrogen 3.508 N/A GLN 40.A NE2 GLU 148.A OE2 no hydrogen 2.916 N/A MET 41.A N ILE 144.A O no hydrogen 3.009 N/A THR 46.A N PRO 43.A O no hydrogen 3.035 N/A THR 46.A OG1 PRO 43.A O no hydrogen 2.755 N/A PHE 47.A N ASP 44.A O no hydrogen 2.979 N/A ASP 48.A N SER 45.A O no hydrogen 2.989 N/A ILE 49.A N THR 46.A O no hydrogen 3.064 N/A LEU 51.A N PHE 47.A O no hydrogen 2.953 N/A SER 52.A N ASP 48.A O no hydrogen 2.860 N/A SER 52.A OG THR 171.A OG1 no hydrogen 2.745 N/A LEU 53.A N ILE 49.A O no hydrogen 3.202 N/A MET 54.A N ALA 50.A O no hydrogen 2.962 N/A ALA 55.A N LEU 51.A O no hydrogen 2.796 N/A PHE 56.A N SER 52.A O no hydrogen 3.039 N/A ASP 57.A N LEU 53.A O no hydrogen 2.948 N/A ALA 58.A N MET 54.A O no hydrogen 2.824 N/A GLU 59.A N PHE 56.A O no hydrogen 3.018 N/A ILE 60.A N ALA 55.A O no hydrogen 3.120 N/A ASP 62.A N THR 65.A OG1 no hydrogen 2.912 N/A GLN 63.A NE2 ASN 170.A OD1 no hydrogen 3.650 N/A GLN 63.A NE2 ASN 174.A OD1 no hydrogen 2.897 N/A LYS 64.A N ASP 62.A OD1 no hydrogen 2.742 N/A THR 65.A N ASP 62.A O no hydrogen 3.099 N/A THR 65.A OG1 ASP 62.A O no hydrogen 3.154 N/A PHE 67.A N HIS 83.A O no hydrogen 2.786 N/A LYS 68.A NZ.B ILE 66.A O no hydrogen 2.589 N/A TRP 69.A N ASN 82.A OD1 no hydrogen 2.861 N/A TRP 69.A NE1 THR 72.A O no hydrogen 2.808 N/A THR 72.A N ASP 70.A OD1 no hydrogen 3.012 N/A THR 72.A OG1 ASP 70.A OD1 no hydrogen 2.886 N/A LYS 74.A N ASN 80.A OD1 no hydrogen 2.742 N/A LYS 74.A NZ ASP 70.A OD1 no hydrogen 3.430 N/A LYS 74.A NZ ASP 70.A OD2 no hydrogen 2.849 N/A TRP 79.A N MET 76.A O no hydrogen 2.885 N/A TRP 79.A NE1 PHE 91.A O no hydrogen 2.984 N/A ASN 80.A N GLU 77.A O no hydrogen 2.979 N/A ASN 80.A ND2 GLU 77.A OE1.A no hydrogen 3.195 N/A SER 81.A N TRP 79.A O no hydrogen 2.967 N/A SER 81.A OG ASN 82.A O no hydrogen 2.878 N/A SER 81.A OG HIS 83.A NE2 no hydrogen 3.305 N/A HIS 83.A N PHE 67.A O no hydrogen 3.040 N/A HIS 83.A ND1 THR 87.A OG1 no hydrogen 2.679 N/A HIS 83.A NE2 ILE 78.A O no hydrogen 3.019 N/A THR 84.A N THR 87.A OG1 no hydrogen 3.031 N/A LYS 86.A NZ GLU 173.A OE1 no hydrogen 2.756 N/A LYS 86.A NZ ASN 174.A OD1 no hydrogen 2.832 N/A THR 87.A N THR 84.A OG1 no hydrogen 3.006 N/A THR 87.A OG1 HIS 83.A ND1 no hydrogen 2.679 N/A THR 87.A OG1 THR 84.A O no hydrogen 3.556 N/A TRP 88.A N THR 84.A O no hydrogen 2.817 N/A TRP 88.A NE1 SER 97.A OG no hydrogen 2.829 N/A MET 89.A N PRO 85.A O no hydrogen 3.213 N/A GLN 90.A N LYS 86.A O no hydrogen 2.969 N/A PHE 91.A N THR 87.A O no hydrogen 2.936 N/A VAL 93.A N TRP 88.A O no hydrogen 3.171 N/A TRP 95.A NE1 TRP 79.A O no hydrogen 2.920 N/A VAL 96.A N VAL 93.A O no hydrogen 3.035 N/A SER 97.A N VAL 93.A O no hydrogen 3.236 N/A SER 97.A OG ASP 48.A OD1 no hydrogen 2.618 N/A GLN 98.A N VAL 94.A O no hydrogen 2.935 N/A GLN 98.A NE2 THR 134.A O no hydrogen 2.942 N/A GLU 99.A N TRP 95.A O no hydrogen 2.965 N/A ILE 100.A N VAL 96.A O no hydrogen 2.922 N/A THR 101.A N SER 97.A O no hydrogen 2.935 N/A THR 101.A OG1 SER 97.A O no hydrogen 3.566 N/A THR 101.A OG1 GLN 98.A O no hydrogen 3.177 N/A THR 101.A OG1 LEU 133.A O no hydrogen 2.714 N/A GLN 102.A N GLN 98.A O no hydrogen 3.075 N/A GLN 102.A NE2 GLN 98.A O no hydrogen 3.253 N/A LYS 103.A N GLU 99.A O no hydrogen 3.152 N/A ILE 104.A N ILE 100.A O no hydrogen 2.960 N/A GLY 105.A N THR 101.A O no hydrogen 2.807 N/A ILE 109.A N GLY 105.A O no hydrogen 3.002 N/A LYS 110.A N LEU 106.A O no hydrogen 2.894 N/A ASN 111.A N ASN 107.A O no hydrogen 2.986 N/A TYR 112.A N LYS 108.A O no hydrogen 2.911 N/A TYR 112.A OH ASP 57.A OD2 no hydrogen 2.550 N/A LEU 113.A N ILE 109.A O no hydrogen 2.853 N/A LYS 114.A N LYS 110.A O no hydrogen 3.084 N/A ASP 115.A N ASN 111.A O no hydrogen 2.954 N/A PHE 116.A N TYR 112.A O no hydrogen 2.787 N/A ASP 117.A N LYS 114.A O no hydrogen 3.073 N/A TYR 118.A N LEU 113.A O no hydrogen 3.073 N/A ASN 120.A N LYS 143.A O no hydrogen 2.945 N/A ASN 120.A ND2 SER 141.A O no hydrogen 3.022 N/A GLN 121.A N TYR 118.A O no hydrogen 3.175 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 3.066 N/A SER 124.A N ASP 122.A OD1 no hydrogen 3.040 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 2.621 N/A GLY 125.A N SER 141.A OG no hydrogen 2.875 N/A ASP 126.A N ASN 131.A OD1 no hydrogen 2.918 N/A ARG 129.A N ASP 126.A O no hydrogen 3.262 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 2.842 N/A THR 134.A N ASN 131.A O no hydrogen 3.236 N/A GLU 135.A N GLY 132.A O no hydrogen 3.346 N/A ALA 136.A N GLY 132.A O no hydrogen 2.973 N/A LEU 138.A N GLU 135.A O no hydrogen 2.957 N/A GLU 139.A N ASP 44.A OD1 no hydrogen 2.985 N/A SER 140.A OG ASP 126.A OD1 no hydrogen 2.699 N/A SER 141.A OG ASP 122.A O no hydrogen 2.723 N/A LEU 142.A N ALA 136.A O no hydrogen 3.041 N/A LYS 143.A N ASN 120.A OD1 no hydrogen 3.013 N/A LYS 143.A NZ SER 140.A O no hydrogen 3.118 N/A ILE 144.A N MET 41.A O no hydrogen 2.918 N/A SER 145.A N GLU 148.A OE2 no hydrogen 3.024 N/A GLU 147.A N CYS 37.A O no hydrogen 3.053 N/A GLU 148.A N SER 145.A OG no hydrogen 3.069 N/A GLN 149.A N SER 145.A O no hydrogen 2.862 N/A GLN 149.A NE2 THR 46.A OG1 no hydrogen 2.932 N/A ILE 150.A N PRO 146.A O no hydrogen 2.950 N/A GLN 151.A N GLU 147.A O no hydrogen 3.277 N/A GLN 151.A NE2 ASN 26.A OD1 no hydrogen 2.936 N/A PHE 152.A N GLU 148.A O no hydrogen 2.916 N/A LEU 153.A N GLN 149.A O no hydrogen 2.864 N/A ARG 154.A N ILE 150.A O no hydrogen 2.915 N/A ARG 154.A NE.A ALA 23.A O no hydrogen 3.144 N/A ARG 154.A NE.B GLN 151.A OE1 no hydrogen 3.048 N/A ARG 154.A NH1.A GLN 151.A OE1 no hydrogen 3.085 N/A ARG 154.A NH1.B ALA 23.A O no hydrogen 2.665 N/A ARG 154.A NH2.A ALA 23.A O no hydrogen 3.042 N/A LYS 155.A N GLN 151.A O no hydrogen 2.928 N/A ILE 156.A N PHE 152.A O no hydrogen 3.070 N/A ILE 157.A N LEU 153.A O no hydrogen 3.090 N/A ASN 158.A N ARG 154.A O no hydrogen 3.026 N/A ASN 158.A ND2 ALA 23.A O no hydrogen 2.846 N/A HIS 159.A N ILE 156.A O no hydrogen 2.957 N/A HIS 159.A ND1 ASN 165.A OD1 no hydrogen 2.695 N/A HIS 159.A NE2 GLU 169.A OE2 no hydrogen 2.612 N/A ASN 160.A N LYS 155.A O no hydrogen 2.818 N/A LYS 164.A N ASP 57.A OD1 no hydrogen 2.891 N/A LYS 164.A NZ ASP 57.A O no hydrogen 2.797 N/A LYS 164.A NZ GLU 59.A OE1 no hydrogen 3.491 N/A ILE 168.A N LYS 164.A O no hydrogen 3.258 N/A GLU 169.A N ASN 165.A O no hydrogen 3.047 N/A ASN 170.A N SER 166.A O no hydrogen 2.805 N/A THR 171.A N ALA 167.A O no hydrogen 3.195 N/A THR 171.A OG1 SER 52.A OG no hydrogen 2.745 N/A THR 171.A OG1 ALA 167.A O no hydrogen 2.850 N/A ILE 172.A N ILE 168.A O no hydrogen 2.973 N/A GLU 173.A N GLU 169.A O no hydrogen 2.885 N/A ASN 174.A N ASN 170.A O no hydrogen 3.039 N/A ASN 174.A ND2 GLN 63.A OE1 no hydrogen 2.968 N/A MET 175.A N THR 171.A O no hydrogen 3.194 N/A MET 175.A N ILE 172.A O no hydrogen 2.960 N/A TYR 176.A N GLU 173.A O no hydrogen 3.065 N/A TYR 176.A OH ASP 179.A OD1 no hydrogen 2.678 N/A LEU 177.A N LEU 186.A O no hydrogen 2.871 N/A GLN 178.A N LEU 186.A O no hydrogen 3.491 N/A GLN 178.A NE2 ASP 179.A O no hydrogen 3.270 N/A LEU 180.A N THR 184.A O no hydrogen 2.756 N/A ASP 181.A N ASN 246.A OD1 no hydrogen 2.995 N/A SER 183.A N LEU 180.A O no hydrogen 2.916 N/A THR 184.A OG1.A ASN 182.A OD1 no hydrogen 3.150 N/A THR 184.A OG1.B ILE 210.A O no hydrogen 2.885 N/A LYS 185.A N ILE 210.A O no hydrogen 2.816 N/A LYS 185.A NZ ASP 179.A OD1 no hydrogen 2.859 N/A LYS 185.A NZ ASP 179.A OD2 no hydrogen 3.409 N/A LEU 186.A N GLN 178.A O no hydrogen 2.836 N/A TYR 187.A N PHE 208.A O no hydrogen 2.962 N/A GLY 188.A N MET 175.A O no hydrogen 2.858 N/A LYS 189.A N GLU 206.A O no hydrogen 2.893 N/A LYS 189.A NZ ASP 48.A OD2 no hydrogen 2.874 N/A LYS 189.A NZ MET 89.A O no hydrogen 2.845 N/A LYS 189.A NZ SER 92.A OG no hydrogen 2.880 N/A GLY 191.A N TRP 204.A O no hydrogen 3.107 N/A GLY 193.A N ASN 202.A O no hydrogen 3.077 N/A THR 195.A N LEU 200.A O no hydrogen 2.831 N/A ARG 198.A N THR 195.A O no hydrogen 3.114 N/A THR 199.A OG1 ASN 226.A OD1 no hydrogen 2.695 N/A GLN 201.A N GLY 225.A O no hydrogen 2.870 N/A GLN 201.A NE2 GLY 228.A O no hydrogen 2.973 N/A GLN 201.A NE2 ASN 230.A O no hydrogen 2.707 N/A ASN 202.A N GLY 193.A O no hydrogen 2.846 N/A ASN 202.A ND2 GLU 139.A OE1 no hydrogen 3.053 N/A ASN 202.A ND2 THR 195.A OG1 no hydrogen 2.919 N/A GLY 203.A N LEU 223.A O no hydrogen 2.842 N/A TRP 204.A N GLY 191.A O no hydrogen 2.809 N/A TRP 204.A NE1 ALA 42.A O no hydrogen 2.775 N/A PHE 205.A N SER 221.A O no hydrogen 2.788 N/A GLU 206.A N LYS 189.A O no hydrogen 3.031 N/A GLY 207.A N PHE 219.A O no hydrogen 3.002 N/A PHE 208.A N TYR 187.A O no hydrogen 2.830 N/A ILE 209.A N TYR 217.A O no hydrogen 2.864 N/A ILE 210.A N LYS 185.A O no hydrogen 2.988 N/A SER 211.A N HIS 215.A O no hydrogen 2.900 N/A SER 211.A OG SER 213.A OG no hydrogen 2.990 N/A SER 211.A OG LEU 250.A O no hydrogen 3.292 N/A SER 211.A OG LEU 250.A OXT no hydrogen 2.458 N/A SER 213.A N SER 211.A OG no hydrogen 2.970 N/A SER 213.A OG SER 211.A OG no hydrogen 2.990 N/A SER 213.A OG HIS 215.A ND1.A no hydrogen 2.926 N/A SER 213.A OG LEU 250.A O no hydrogen 2.739 N/A SER 213.A OG LEU 250.A OXT no hydrogen 3.503 N/A GLY 214.A N SER 211.A O no hydrogen 2.958 N/A HIS 215.A N SER 213.A OG no hydrogen 3.109 N/A HIS 215.A ND1.A SER 213.A OG no hydrogen 2.926 N/A HIS 215.A ND1.B ASP 22.A OD2 no hydrogen 2.632 N/A TYR 217.A N ILE 209.A O no hydrogen 2.863 N/A TYR 217.A OH LEU 250.A O no hydrogen 2.672 N/A VAL 218.A N TYR 21.A O no hydrogen 2.947 N/A PHE 219.A N GLY 207.A O no hydrogen 2.934 N/A VAL 220.A N LEU 19.A O no hydrogen 2.926 N/A SER 221.A N PHE 205.A O no hydrogen 2.826 N/A SER 221.A OG ALA 237.A O no hydrogen 2.781 N/A ALA 222.A N CYS 17.A O no hydrogen 3.139 N/A LEU 223.A N GLY 203.A O no hydrogen 2.915 N/A THR 224.A N GLU 15.A O.A no hydrogen 2.912 N/A THR 224.A N GLU 15.A O.B no hydrogen 2.950 N/A THR 224.A OG1 ASN 202.A OD1 no hydrogen 2.746 N/A GLY 225.A N GLN 201.A O no hydrogen 2.884 N/A THR 232.A N GLN 201.A OE1 no hydrogen 3.003 N/A SER 233.A N GLN 201.A OE1 no hydrogen 3.167 N/A SER 233.A OG ASN 202.A O no hydrogen 2.812 N/A LYS 236.A N THR 232.A O no hydrogen 2.926 N/A LYS 236.A NZ LEU 10.A O no hydrogen 3.054 N/A ALA 237.A N SER 233.A O no hydrogen 2.902 N/A LYS 238.A N SER 234.A O no hydrogen 2.853 N/A LYS 239.A N ILE 235.A O no hydrogen 2.910 N/A ASN 240.A N LYS 236.A O no hydrogen 2.904 N/A ASN 240.A ND2 LEU 10.A O no hydrogen 2.939 N/A ALA 241.A N ALA 237.A O no hydrogen 3.036 N/A ILE 242.A N LYS 238.A O no hydrogen 2.981 N/A THR 243.A N LYS 239.A O no hydrogen 2.937 N/A THR 243.A OG1 LYS 239.A O no hydrogen 3.103 N/A ILE 244.A N ASN 240.A O no hydrogen 2.905 N/A LEU 245.A N ALA 241.A O no hydrogen 2.820 N/A ASN 246.A N ILE 242.A O no hydrogen 2.988 N/A THR 247.A N THR 243.A O no hydrogen 3.321 N/A THR 247.A N ILE 244.A O no hydrogen 2.980 N/A THR 247.A OG1 ILE 244.A O no hydrogen 2.745 N/A LEU 248.A N LEU 245.A O no hydrogen 3.136 N/A