Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LYS 48.A O no hydrogen 2.808 N/A VAL 5.A N ASP 82.A OD2 no hydrogen 2.806 N/A VAL 6.A N LYS 50.A O no hydrogen 2.929 N/A THR 7.A N ILE 83.A O no hydrogen 2.817 N/A THR 7.A OG1 GLU 75.A OE1 no hydrogen 2.610 N/A THR 8.A N THR 52.A O no hydrogen 2.928 N/A THR 8.A OG1 ILE 85.A O no hydrogen 2.802 N/A ILE 9.A N THR 8.A OG1 no hydrogen 2.809 N/A VAL 15.A N GLU 11.A O no hydrogen 3.045 N/A MET 16.A N GLU 31.A O no hydrogen 2.744 N/A LYS 18.A N ARG 29.A O no hydrogen 2.920 N/A LYS 18.A NZ GLU 28.A O no hydrogen 3.082 N/A HIS 21.A N LYS 18.A O no hydrogen 3.181 N/A ALA 23.A N ASN 20.A O no hydrogen 3.250 N/A LEU 24.A N HIS 21.A O no hydrogen 2.657 N/A ASN 27.A ND2 TYR 49.A O no hydrogen 2.982 N/A ARG 29.A N GLY 26.A O no hydrogen 3.180 N/A ARG 29.A NE GLY 26.A O no hydrogen 2.789 N/A ARG 29.A NH2 GLY 26.A O no hydrogen 3.542 N/A TYR 30.A N ASN 27.A O no hydrogen 3.255 N/A GLU 31.A N MET 16.A O no hydrogen 2.884 N/A TYR 33.A N PRO 13.A O no hydrogen 2.883 N/A CYS 34.A N TYR 14.A O no hydrogen 2.877 N/A CYS 34.A SG ILE 85.A O no hydrogen 3.892 N/A VAL 35.A N GLY 32.A O no hydrogen 3.120 N/A ASP 36.A N GLY 32.A O no hydrogen 2.989 N/A LEU 37.A N TYR 33.A O no hydrogen 2.905 N/A ALA 38.A N CYS 34.A O no hydrogen 2.901 N/A ALA 39.A N VAL 35.A O no hydrogen 3.242 N/A GLU 40.A N ASP 36.A O no hydrogen 3.125 N/A ILE 41.A N LEU 37.A O no hydrogen 2.862 N/A ALA 42.A N ALA 38.A O no hydrogen 2.918 N/A LYS 43.A N ALA 39.A O no hydrogen 2.990 N/A HIS 44.A N GLU 40.A O no hydrogen 3.009 N/A CYS 45.A N ILE 41.A O no hydrogen 2.921 N/A CYS 45.A N ALA 42.A O no hydrogen 3.296 N/A CYS 45.A SG ILE 41.A O no hydrogen 3.258 N/A PHE 47.A N ALA 42.A O no hydrogen 3.064 N/A LYS 50.A N VAL 4.A O no hydrogen 2.923 N/A LEU 51.A N ASN 27.A OD1 no hydrogen 2.805 N/A THR 52.A N VAL 6.A O no hydrogen 2.843 N/A THR 52.A OG1 VAL 6.A O no hydrogen 2.751 N/A VAL 54.A N THR 8.A O no hydrogen 2.741 N/A GLY 55.A N GLU 75.A OE2 no hydrogen 3.078 N/A GLY 57.A N VAL 54.A O no hydrogen 3.145 N/A LYS 58.A N ASP 56.A OD2 no hydrogen 2.999 N/A TYR 59.A OH GLU 11.A OE2 no hydrogen 2.519 N/A ALA 61.A N ASN 70.A OD1 no hydrogen 2.813 N/A ASP 63.A N ILE 68.A O no hydrogen 2.995 N/A ASP 65.A N ASP 63.A OD1 no hydrogen 2.699 N/A THR 66.A N ASP 63.A OD1 no hydrogen 2.915 N/A LYS 67.A N ASP 63.A O no hydrogen 2.723 N/A ILE 68.A N THR 66.A OG1 no hydrogen 3.288 N/A TRP 69.A N TYR 78.A OH no hydrogen 3.088 N/A ASN 70.A N ALA 61.A O no hydrogen 2.976 N/A GLY 71.A N ASP 56.A OD1 no hydrogen 2.807 N/A MET 72.A N LYS 58.A O no hydrogen 3.091 N/A VAL 73.A N TYR 59.A O no hydrogen 3.178 N/A GLY 74.A N ASN 70.A O no hydrogen 2.928 N/A GLU 75.A N GLY 71.A O no hydrogen 3.043 N/A LEU 76.A N MET 72.A O no hydrogen 3.181 N/A VAL 77.A N VAL 73.A O no hydrogen 2.915 N/A TYR 78.A N GLY 74.A O no hydrogen 2.954 N/A GLY 79.A N LEU 76.A O no hydrogen 3.059 N/A LYS 80.A N GLU 75.A O no hydrogen 2.675 N/A ALA 81.A N GLU 75.A O no hydrogen 3.115 N/A ASP 82.A N VAL 5.A O no hydrogen 2.791 N/A ILE 83.A N VAL 5.A O no hydrogen 3.237 N/A ALA 84.A N ALA 221.A O no hydrogen 2.776 N/A ILE 85.A N THR 7.A O no hydrogen 3.197 N/A LEU 88.A N ALA 86.A O no hydrogen 2.633 N/A THR 89.A OG1 SER 140.A OG no hydrogen 3.046 N/A THR 89.A OG1 GLU 191.A OE2 no hydrogen 2.806 N/A ILE 90.A N GLY 217.A O no hydrogen 2.926 N/A ARG 94.A N THR 91.A OG1 no hydrogen 3.399 N/A ARG 94.A NE GLY 60.A O no hydrogen 3.206 N/A ARG 94.A NH1 THR 89.A O no hydrogen 2.945 N/A ARG 94.A NH2 GLY 60.A O no hydrogen 3.096 N/A GLU 95.A N THR 91.A O no hydrogen 2.897 N/A GLU 96.A N LEU 92.A O no hydrogen 3.148 N/A VAL 97.A N ARG 94.A O no hydrogen 2.979 N/A ILE 98.A N ARG 94.A O no hydrogen 2.913 N/A ASP 99.A N THR 222.A O no hydrogen 2.906 N/A SER 101.A N ILE 220.A O no hydrogen 2.891 N/A SER 101.A OG LYS 102.A O no hydrogen 2.771 N/A LYS 102.A N ASN 233.A OD1 no hydrogen 2.822 N/A PHE 104.A N TYR 218.A O no hydrogen 2.967 N/A LEU 107.A N LYS 216.A O no hydrogen 2.883 N/A GLY 108.A N SER 192.A OG no hydrogen 3.104 N/A ILE 109.A N ASP 214.A OD1 no hydrogen 2.798 N/A SER 110.A N LEU 190.A O no hydrogen 2.693 N/A SER 110.A OG LEU 190.A O no hydrogen 2.916 N/A MET 112.A N TYR 188.A O no hydrogen 2.716 N/A ILE 113.A N MET 207.A O no hydrogen 3.081 N/A LYS 114.A NZ ARG 180.A O no hydrogen 3.195 N/A LYS 115.A N ASP 205.A O no hydrogen 2.857 N/A LYS 115.A NZ CYS 204.A O no hydrogen 3.000 N/A THR 117.A N LYS 114.A O no hydrogen 3.155 N/A THR 117.A OG1 LYS 114.A O no hydrogen 2.817 N/A ILE 119.A N THR 117.A O no hydrogen 2.842 N/A GLU 120.A N ASP 124.A OD1 no hydrogen 2.820 N/A ASP 124.A N SER 121.A OG no hydrogen 3.188 N/A LEU 125.A N SER 121.A O no hydrogen 3.215 N/A SER 126.A N ALA 122.A O no hydrogen 2.947 N/A SER 126.A OG GLU 123.A O no hydrogen 2.801 N/A LYS 127.A N GLU 123.A O no hydrogen 3.163 N/A LYS 127.A N ASP 124.A O no hydrogen 3.365 N/A GLN 128.A N LEU 125.A O no hydrogen 3.300 N/A GLN 128.A NE2 LEU 125.A O no hydrogen 2.928 N/A GLN 128.A NE2 ILE 131.A O no hydrogen 2.965 N/A ILE 131.A N GLN 128.A OE1 no hydrogen 2.694 N/A ALA 132.A N LYS 185.A O no hydrogen 2.854 N/A GLY 134.A N ALA 187.A O no hydrogen 3.432 N/A THR 135.A OG1 LEU 136.A O no hydrogen 2.898 N/A ASP 137.A N VAL 169.A O no hydrogen 2.626 N/A SER 140.A OG THR 89.A OG1 no hydrogen 3.046 N/A LYS 142.A NZ ASP 137.A O no hydrogen 3.049 N/A LYS 142.A NZ ASP 137.A OD1 no hydrogen 3.179 N/A GLU 143.A N GLY 139.A O no hydrogen 3.147 N/A PHE 144.A N SER 140.A O no hydrogen 2.893 N/A ARG 146.A N LYS 142.A O no hydrogen 3.030 N/A ARG 146.A NE GLU 143.A OE1 no hydrogen 3.343 N/A ARG 146.A NE GLU 143.A OE2 no hydrogen 3.070 N/A ARG 146.A NH2 GLU 143.A OE2 no hydrogen 3.306 N/A ARG 147.A N GLU 143.A O no hydrogen 2.948 N/A SER 148.A N PHE 145.A O no hydrogen 3.362 N/A ILE 150.A N SER 148.A OG no hydrogen 3.165 N/A ASP 154.A N ILE 150.A O no hydrogen 2.802 N/A LYS 155.A N ALA 151.A O no hydrogen 2.958 N/A MET 156.A N VAL 152.A O no hydrogen 3.008 N/A TRP 157.A N PHE 153.A O no hydrogen 2.948 N/A THR 158.A N ASP 154.A O no hydrogen 3.042 N/A THR 158.A OG1 ASP 154.A O no hydrogen 2.954 N/A TYR 159.A N LYS 155.A O no hydrogen 3.211 N/A MET 160.A N MET 156.A O no hydrogen 2.909 N/A ARG 161.A N TRP 157.A O no hydrogen 2.915 N/A SER 162.A N TYR 159.A O no hydrogen 3.312 N/A ALA 163.A N MET 160.A O no hydrogen 3.440 N/A PHE 168.A N SER 166.A OG no hydrogen 3.224 N/A VAL 169.A N THR 135.A O no hydrogen 3.072 N/A THR 172.A OG1 GLU 11.A OE1 no hydrogen 2.685 N/A THR 172.A OG1 GLU 11.A OE2 no hydrogen 3.525 N/A GLU 174.A N THR 171.A OG1 no hydrogen 3.183 N/A GLY 175.A N THR 171.A O no hydrogen 3.127 N/A VAL 176.A N THR 172.A O no hydrogen 2.889 N/A ALA 177.A N ALA 173.A O no hydrogen 2.881 N/A ARG 178.A N GLU 174.A O no hydrogen 2.929 N/A ARG 178.A NH1 SER 166.A O no hydrogen 2.843 N/A ARG 178.A NH2 SER 166.A O no hydrogen 2.922 N/A VAL 179.A N GLY 175.A O no hydrogen 2.991 N/A ARG 180.A N VAL 176.A O no hydrogen 2.972 N/A ARG 180.A NE ASP 205.A OD1 no hydrogen 2.807 N/A LYS 181.A N ALA 177.A O no hydrogen 2.933 N/A SER 182.A OG ARG 178.A O no hydrogen 2.543 N/A LYS 185.A N SER 182.A O no hydrogen 2.907 N/A TYR 186.A OH VAL 167.A O no hydrogen 2.619 N/A ALA 187.A N ALA 132.A O no hydrogen 2.834 N/A TYR 188.A N MET 112.A O no hydrogen 2.879 N/A LEU 189.A N GLY 134.A O no hydrogen 2.987 N/A LEU 190.A N SER 110.A O no hydrogen 2.969 N/A SER 192.A N GLY 108.A O no hydrogen 2.636 N/A SER 192.A OG GLY 108.A O no hydrogen 3.216 N/A THR 193.A OG1 TYR 14.A OH no hydrogen 3.215 N/A MET 194.A N GLU 191.A O no hydrogen 2.957 N/A ASN 195.A N GLU 191.A O no hydrogen 3.188 N/A ASN 195.A ND2 SER 110.A OG no hydrogen 2.944 N/A ASN 195.A ND2 ILE 111.A O no hydrogen 2.950 N/A GLU 196.A N SER 192.A O no hydrogen 2.840 N/A TYR 197.A N THR 193.A O no hydrogen 3.114 N/A ILE 198.A N MET 194.A O no hydrogen 2.985 N/A GLU 199.A N ASN 195.A O no hydrogen 3.055 N/A GLN 200.A N TYR 197.A O no hydrogen 3.037 N/A ARG 201.A N ILE 198.A O no hydrogen 2.972 N/A LYS 202.A N GLU 258.A OE2 no hydrogen 2.916 N/A CYS 204.A N ARG 201.A O no hydrogen 2.884 N/A CYS 204.A SG ARG 201.A O no hydrogen 3.794 N/A CYS 204.A SG GLU 258.A O no hydrogen 3.659 N/A MET 207.A N ILE 113.A O no hydrogen 3.034 N/A LYS 208.A N GLU 199.A OE1 no hydrogen 2.873 N/A VAL 209.A N ILE 111.A O no hydrogen 3.131 N/A LEU 213.A N ILE 109.A O no hydrogen 2.810 N/A LYS 216.A N LEU 107.A O no hydrogen 2.856 N/A LYS 216.A NZ ASP 214.A OD2 no hydrogen 2.819 N/A TYR 218.A N MET 105.A O no hydrogen 2.993 N/A TYR 218.A OH GLU 191.A OE1 no hydrogen 2.435 N/A GLY 219.A N LEU 88.A O no hydrogen 3.042 N/A ILE 220.A N SER 101.A OG no hydrogen 3.078 N/A ALA 221.A N ALA 84.A O no hydrogen 3.069 N/A THR 222.A N ASP 99.A O no hydrogen 2.955 N/A LYS 224.A NZ GLU 96.A O no hydrogen 2.669 N/A GLY 225.A N ASP 99.A OD2 no hydrogen 3.388 N/A SER 226.A N PRO 223.A O no hydrogen 2.984 N/A LEU 228.A N SER 226.A OG no hydrogen 2.982 N/A GLY 229.A N SER 226.A O no hydrogen 3.428 N/A VAL 232.A N LEU 228.A O no hydrogen 3.026 N/A ASN 233.A N GLY 229.A O no hydrogen 3.060 N/A LEU 234.A N ASN 230.A O no hydrogen 3.113 N/A ALA 235.A N ALA 231.A O no hydrogen 2.888 N/A VAL 236.A N VAL 232.A O no hydrogen 3.035 N/A LEU 237.A N ASN 233.A O no hydrogen 3.190 N/A LYS 238.A N LEU 234.A O no hydrogen 2.907 N/A LYS 238.A NZ GLN 242.A OE1 no hydrogen 3.508 N/A LEU 239.A N ALA 235.A O no hydrogen 2.892 N/A ASN 240.A N VAL 236.A O no hydrogen 2.996 N/A GLU 241.A N LEU 237.A O no hydrogen 2.940 N/A GLN 242.A N LYS 238.A O no hydrogen 2.950 N/A GLY 243.A N ASN 240.A O no hydrogen 2.900 N/A LEU 244.A N LEU 239.A O no hydrogen 2.994 N/A LYS 247.A N GLY 243.A O no hydrogen 3.204 N/A LEU 248.A N LEU 244.A O no hydrogen 2.921 N/A LYS 249.A N LEU 245.A O no hydrogen 3.096 N/A LYS 249.A NZ GLU 196.A OE2 no hydrogen 2.899 N/A ASN 250.A N ASP 246.A O no hydrogen 3.170 N/A LYS 251.A N LYS 247.A O no hydrogen 2.936 N/A LYS 251.A NZ ASP 36.A OD1 no hydrogen 2.737 N/A TRP 252.A N LEU 248.A O no hydrogen 3.046 N/A TRP 252.A NE1 ASP 36.A OD1 no hydrogen 2.941 N/A TRP 253.A N LYS 249.A O no hydrogen 2.725 N/A TRP 253.A NE1 THR 193.A O no hydrogen 2.785 N/A TYR 254.A N ASN 250.A O no hydrogen 3.109 N/A ASP 255.A N ASN 250.A O no hydrogen 2.767 N/A GLY 257.A N TYR 254.A O no hydrogen 2.838 N/A GLU 258.A N GLN 200.A O no hydrogen 2.786 N/A CYS 259.A SG GLU 199.A O no hydrogen 3.464 N/A