Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ ASP 177.A OD2 no hydrogen 3.211 N/A HIS 6.A N GLY 196.A O no hydrogen 2.788 N/A HIS 6.A ND1 ASP 10.A OD2 no hydrogen 3.137 N/A THR 7.A N ASP 10.A OD2 no hydrogen 3.420 N/A ASP 10.A N THR 7.A O no hydrogen 2.916 N/A PHE 11.A N THR 7.A O no hydrogen 3.097 N/A ILE 12.A N GLU 8.A O no hydrogen 3.034 N/A LYS 13.A N LYS 9.A O no hydrogen 3.415 N/A LYS 13.A NZ ASP 101.A OD2 no hydrogen 2.630 N/A MET 14.A N ASP 10.A O no hydrogen 3.022 N/A ARG 15.A N PHE 11.A O no hydrogen 2.844 N/A ARG 15.A NE GLU 245.A OE2 no hydrogen 2.740 N/A ARG 15.A NH1 GLU 8.A OE2 no hydrogen 2.923 N/A ARG 15.A NH2 GLU 245.A OE1 no hydrogen 2.987 N/A ALA 16.A N ILE 12.A O no hydrogen 3.240 N/A ALA 17.A N LYS 13.A O no hydrogen 3.053 N/A GLY 18.A N MET 14.A O no hydrogen 2.864 N/A LYS 19.A N ARG 15.A O no hydrogen 2.920 N/A LEU 20.A N ALA 16.A O no hydrogen 3.148 N/A ALA 21.A N ALA 17.A O no hydrogen 2.948 N/A ALA 22.A N GLY 18.A O no hydrogen 2.881 N/A GLU 23.A N LYS 19.A O no hydrogen 2.804 N/A THR 24.A N LEU 20.A O no hydrogen 3.034 N/A THR 24.A OG1 LEU 20.A O no hydrogen 2.884 N/A LEU 25.A N ALA 21.A O no hydrogen 3.305 N/A ASP 26.A N ALA 22.A O no hydrogen 2.876 N/A PHE 27.A N GLU 23.A O no hydrogen 2.824 N/A ILE 28.A N THR 24.A O no hydrogen 3.025 N/A THR 29.A N ASP 26.A O no hydrogen 3.299 N/A THR 29.A OG1 LEU 25.A O no hydrogen 3.104 N/A THR 29.A OG1 ASP 26.A O no hydrogen 2.936 N/A HIS 31.A N ILE 28.A O no hydrogen 2.945 N/A VAL 32.A N THR 29.A O no hydrogen 3.109 N/A ASN 35.A N LEU 86.A O no hydrogen 2.776 N/A VAL 36.A N LYS 33.A O no hydrogen 3.356 N/A THR 37.A OG1 SER 40.A OG no hydrogen 3.421 N/A THR 38.A OG1 ASN 82.A O no hydrogen 3.247 N/A ASN 39.A N ASN 82.A O no hydrogen 3.010 N/A SER 40.A N THR 37.A OG1 no hydrogen 3.064 N/A SER 40.A OG THR 37.A OG1 no hydrogen 3.421 N/A LEU 41.A N THR 37.A O no hydrogen 3.403 N/A ASN 42.A N THR 38.A O no hydrogen 2.869 N/A ASN 42.A ND2 ASP 43.A OD1 no hydrogen 3.402 N/A ASP 43.A N ASN 39.A O no hydrogen 3.111 N/A LEU 44.A N SER 40.A O no hydrogen 3.061 N/A CYS 45.A N LEU 41.A O no hydrogen 3.015 N/A CYS 45.A SG LEU 41.A O no hydrogen 3.444 N/A HIS 46.A N ASN 42.A O no hydrogen 2.793 N/A HIS 46.A ND1 SER 67.A OG no hydrogen 2.813 N/A ASN 47.A N ASP 43.A O no hydrogen 3.008 N/A PHE 48.A N LEU 44.A O no hydrogen 3.004 N/A ILE 49.A N CYS 45.A O no hydrogen 2.891 N/A THR 50.A N HIS 46.A O no hydrogen 3.005 N/A THR 50.A OG1 HIS 46.A O no hydrogen 3.277 N/A THR 50.A OG1 ASN 47.A O no hydrogen 3.501 N/A SER 51.A N ASN 47.A O no hydrogen 3.036 N/A SER 51.A OG ASN 47.A O no hydrogen 2.876 N/A SER 51.A OG PHE 48.A O no hydrogen 3.070 N/A HIS 52.A N ILE 49.A O no hydrogen 2.951 N/A HIS 52.A ND1 PHE 48.A O no hydrogen 2.836 N/A ASN 53.A N THR 50.A O no hydrogen 3.141 N/A ALA 54.A N ILE 49.A O no hydrogen 3.340 N/A ILE 55.A N ILE 99.A O no hydrogen 2.993 N/A ALA 57.A N THR 97.A O no hydrogen 2.959 N/A LEU 59.A N PRO 56.A O no hydrogen 3.161 N/A ASN 60.A N PHE 64.A O no hydrogen 2.717 N/A TYR 61.A N PRO 58.A O no hydrogen 2.976 N/A TYR 61.A OH HIS 176.A ND1 no hydrogen 2.754 N/A GLY 63.A N ASN 60.A O no hydrogen 3.301 N/A PHE 64.A N TYR 61.A O no hydrogen 2.927 N/A LYS 66.A NZ ASN 39.A OD1 no hydrogen 2.935 N/A LYS 66.A NZ PRO 81.A O no hydrogen 3.191 N/A SER 67.A N ASN 42.A OD1 no hydrogen 2.888 N/A SER 67.A OG HIS 46.A ND1 no hydrogen 2.813 N/A ILE 68.A N ASN 42.A OD1 no hydrogen 3.254 N/A CYS 69.A N ASP 95.A O no hydrogen 3.223 N/A THR 70.A N GLY 79.A O no hydrogen 2.980 N/A SER 71.A N ASN 93.A O no hydrogen 2.899 N/A ASN 73.A N ILE 91.A O no hydrogen 2.842 N/A ASN 73.A ND2 ASP 90.A OD1 no hydrogen 2.946 N/A VAL 75.A N ILE 72.A O no hydrogen 2.962 N/A VAL 76.A N VAL 222.A O no hydrogen 2.679 N/A GLY 79.A N SER 71.A OG no hydrogen 3.215 N/A ASN 82.A N THR 38.A OG1 no hydrogen 2.965 N/A LYS 84.A N ASN 82.A OD1 no hydrogen 3.051 N/A LEU 86.A N VAL 36.A O no hydrogen 2.887 N/A LYS 87.A N ASP 90.A OD2 no hydrogen 2.825 N/A LYS 87.A NZ ASP 90.A OD1 no hydrogen 3.019 N/A GLY 89.A N VAL 113.A O no hydrogen 2.773 N/A ASP 90.A N LYS 87.A O no hydrogen 3.027 N/A ILE 91.A N ASN 73.A OD1 no hydrogen 3.078 N/A VAL 92.A N TYR 111.A O no hydrogen 3.104 N/A ASN 93.A N SER 71.A O no hydrogen 2.909 N/A ASN 93.A ND2 SER 108.A OG no hydrogen 2.887 N/A ASN 93.A ND2 GLN 232.A O no hydrogen 2.881 N/A ILE 94.A N ARG 109.A O no hydrogen 3.092 N/A ASP 95.A N CYS 69.A O no hydrogen 3.023 N/A VAL 96.A N THR 107.A O no hydrogen 2.912 N/A THR 97.A OG1 VAL 96.A O no hydrogen 3.069 N/A VAL 98.A N GLY 105.A O no hydrogen 2.921 N/A ILE 99.A N ILE 55.A O no hydrogen 2.765 N/A LEU 100.A N TRP 103.A O no hydrogen 2.833 N/A TRP 103.A N LEU 100.A O no hydrogen 3.198 N/A TYR 104.A N GLY 172.A O no hydrogen 3.008 N/A GLY 105.A N VAL 98.A O no hydrogen 2.971 N/A ASP 106.A N THR 236.A OG1 no hydrogen 2.987 N/A THR 107.A N VAL 96.A O no hydrogen 3.078 N/A THR 107.A OG1 GLU 234.A O no hydrogen 2.840 N/A SER 108.A N GLU 234.A O no hydrogen 3.209 N/A ARG 109.A N ILE 94.A O no hydrogen 3.153 N/A ARG 109.A NH1 ASP 26.A OD1 no hydrogen 2.881 N/A ARG 109.A NH2 ASP 26.A OD1 no hydrogen 3.563 N/A TYR 111.A N VAL 92.A O no hydrogen 2.734 N/A TYR 111.A OH LEU 25.A O no hydrogen 2.865 N/A VAL 113.A N ASP 90.A O no hydrogen 3.028 N/A ASP 115.A N ASN 88.A OD1 no hydrogen 2.744 N/A LYS 121.A N ALA 117.A O no hydrogen 3.197 N/A ARG 122.A N ILE 118.A O no hydrogen 2.870 N/A LEU 123.A N LYS 119.A O no hydrogen 3.082 N/A ILE 124.A N PRO 120.A O no hydrogen 3.092 N/A GLN 125.A N LYS 121.A O no hydrogen 3.115 N/A GLN 125.A NE2 GLN 125.A O no hydrogen 3.372 N/A GLN 125.A NE2 ASP 129.A OD1 no hydrogen 3.427 N/A GLN 125.A NE2 ASP 129.A OD2 no hydrogen 2.935 N/A VAL 126.A N ARG 122.A O no hydrogen 3.064 N/A THR 127.A N LEU 123.A O no hydrogen 2.988 N/A THR 127.A OG1 LEU 123.A O no hydrogen 2.741 N/A TYR 128.A N ILE 124.A O no hydrogen 3.003 N/A ASP 129.A N GLN 125.A O no hydrogen 3.027 N/A ALA 130.A N VAL 126.A O no hydrogen 2.804 N/A MET 131.A N THR 127.A O no hydrogen 3.006 N/A MET 132.A N TYR 128.A O no hydrogen 3.073 N/A LYS 133.A N ASP 129.A O no hydrogen 2.942 N/A GLY 134.A N ALA 130.A O no hydrogen 3.142 N/A ILE 135.A N MET 131.A O no hydrogen 2.975 N/A GLU 136.A N MET 132.A O no hydrogen 2.860 N/A VAL 137.A N GLY 134.A O no hydrogen 3.372 N/A VAL 138.A N ILE 135.A O no hydrogen 2.962 N/A GLY 141.A N LEU 193.A O no hydrogen 2.863 N/A ALA 142.A N ARG 139.A O no hydrogen 3.088 N/A LYS 143.A N ASP 146.A OD2 no hydrogen 2.809 N/A LEU 144.A N LEU 191.A O no hydrogen 2.903 N/A GLY 145.A N THR 189.A O no hydrogen 2.919 N/A ASP 146.A N LYS 143.A O no hydrogen 2.992 N/A ILE 147.A N LEU 144.A O no hydrogen 3.141 N/A TYR 149.A N GLY 145.A O no hydrogen 2.985 N/A ALA 150.A N ASP 146.A O no hydrogen 3.139 N/A ILE 151.A N ILE 147.A O no hydrogen 3.147 N/A GLN 152.A N GLY 148.A O no hydrogen 2.868 N/A GLN 152.A NE2 GLU 156.A OE2 no hydrogen 3.068 N/A SER 153.A N TYR 149.A O no hydrogen 2.897 N/A SER 153.A OG TYR 149.A O no hydrogen 2.767 N/A TYR 154.A N ALA 150.A O no hydrogen 3.165 N/A ALA 155.A N ILE 151.A O no hydrogen 3.025 N/A GLU 156.A N GLN 152.A O no hydrogen 2.941 N/A LYS 157.A N SER 153.A O no hydrogen 3.000 N/A HIS 158.A N TYR 154.A O no hydrogen 3.237 N/A HIS 158.A N ALA 155.A O no hydrogen 3.251 N/A HIS 158.A ND1 TYR 154.A O no hydrogen 2.885 N/A ASN 159.A N GLU 156.A O no hydrogen 3.071 N/A TYR 160.A N ALA 155.A O no hydrogen 2.985 N/A SER 161.A N ASN 206.A O no hydrogen 3.023 N/A SER 161.A OG GLY 208.A O no hydrogen 2.785 N/A VAL 163.A N MET 204.A O no hydrogen 3.084 N/A THR 167.A OG1 GLY 168.A O no hydrogen 2.868 N/A GLY 168.A N ILE 181.A O no hydrogen 2.910 N/A HIS 169.A N THR 200.A OG1 no hydrogen 3.058 N/A HIS 169.A ND1 GLY 170.A O no hydrogen 3.050 N/A GLY 170.A N PRO 179.A O no hydrogen 3.135 N/A GLY 172.A N VAL 174.A O no hydrogen 3.075 N/A HIS 176.A ND1 TYR 61.A OH no hydrogen 2.754 N/A ASP 177.A N GLY 170.A O no hydrogen 2.862 N/A LYS 178.A N ASP 177.A OD1 no hydrogen 2.647 N/A ILE 181.A N GLY 168.A O no hydrogen 3.071 N/A ASN 183.A ND2 TYR 166.A O no hydrogen 3.595 N/A ASN 183.A ND2 GLU 202.A O no hydrogen 3.699 N/A GLY 185.A N GLN 152.A OE1 no hydrogen 3.077 N/A GLY 188.A N ASP 146.A OD1 no hydrogen 2.753 N/A THR 189.A OG1 ARG 186.A O no hydrogen 2.713 N/A LEU 193.A N ALA 142.A O no hydrogen 2.966 N/A GLY 196.A N VAL 239.A O no hydrogen 2.834 N/A MET 197.A N LYS 194.A O no hydrogen 3.213 N/A PHE 199.A N ILE 237.A O no hydrogen 3.000 N/A THR 200.A N HIS 169.A O no hydrogen 2.789 N/A THR 200.A OG1 GLU 202.A OE1 no hydrogen 3.007 N/A VAL 201.A N HIS 235.A O no hydrogen 3.140 N/A ILE 205.A N ALA 231.A O no hydrogen 2.886 N/A ASN 206.A N SER 161.A O no hydrogen 2.945 N/A ASN 206.A ND2 ASN 209.A O no hydrogen 2.978 N/A ALA 207.A N LEU 229.A O no hydrogen 2.877 N/A GLY 208.A N SER 228.A OG no hydrogen 2.971 N/A ASN 209.A N ASP 226.A OD2 no hydrogen 2.688 N/A ASP 211.A N ASN 209.A OD1 no hydrogen 2.746 N/A ILE 213.A N THR 223.A O no hydrogen 2.907 N/A SER 215.A N THR 221.A O no hydrogen 2.859 N/A ASP 218.A N SER 215.A OG no hydrogen 3.100 N/A GLY 219.A N SER 215.A O no hydrogen 2.861 N/A TRP 220.A N ASP 218.A OD1 no hydrogen 2.788 N/A THR 221.A N ASP 218.A OD1 no hydrogen 2.932 N/A THR 221.A OG1 ASP 218.A OD1 no hydrogen 3.279 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.700 N/A VAL 222.A N CYS 77.A O no hydrogen 3.248 N/A THR 223.A N ILE 213.A O no hydrogen 2.996 N/A THR 224.A N HIS 74.A O no hydrogen 3.039 N/A THR 224.A OG1 SER 228.A O no hydrogen 2.676 N/A ARG 225.A N ASP 211.A O no hydrogen 2.875 N/A ARG 225.A NE.B ASP 211.A OD2 no hydrogen 3.250 N/A LYS 227.A N THR 224.A O no hydrogen 3.148 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.899 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.677 N/A SER 228.A OG ASP 226.A OD2 no hydrogen 3.529 N/A SER 230.A N ASN 73.A O no hydrogen 3.166 N/A SER 230.A OG ILE 205.A O no hydrogen 3.392 N/A SER 230.A OG ASN 206.A OD1 no hydrogen 2.736 N/A ALA 231.A N ILE 205.A O no hydrogen 2.891 N/A GLN 232.A NE2 GLU 202.A O no hydrogen 3.194 N/A GLU 234.A N SER 108.A O no hydrogen 3.107 N/A HIS 235.A N VAL 201.A O no hydrogen 3.245 N/A HIS 235.A ND1 THR 248.A OG1 no hydrogen 2.700 N/A THR 236.A N THR 248.A OG1 no hydrogen 2.961 N/A THR 236.A OG1 ASP 106.A O no hydrogen 2.676 N/A ILE 237.A N PHE 199.A O no hydrogen 2.800 N/A GLY 238.A N GLU 245.A O no hydrogen 2.877 N/A VAL 239.A N MET 197.A O no hydrogen 2.910 N/A THR 240.A N GLY 243.A O no hydrogen 2.999 N/A LYS 241.A NZ GLU 195.A OE1 no hydrogen 3.513 N/A LYS 241.A NZ GLU 195.A OE2 no hydrogen 2.947 N/A ASP 242.A N THR 240.A OG1 no hydrogen 3.214 N/A GLY 243.A N THR 240.A O no hydrogen 3.357 N/A GLU 245.A N GLY 238.A O no hydrogen 2.802 N/A PHE 247.A N THR 236.A O no hydrogen 2.904 N/A THR 248.A OG1 HIS 235.A ND1 no hydrogen 2.700 N/A