Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ms9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 10.A N ASP 8.A OD1 no hydrogen 2.861 N/A GLU 11.A N ASP 8.A O no hydrogen 3.191 N/A MET 12.A N VAL 73.A O no hydrogen 2.867 N/A ARG 14.A NH1 PRO 79.A O no hydrogen 2.189 N/A ARG 14.A NH2 GLU 77.A O no hydrogen 2.801 N/A ARG 14.A NH2 GLU 77.A OE2 no hydrogen 3.137 N/A ASP 16.A N GLU 13.A O no hydrogen 2.870 N/A ILE 17.A N ARG 14.A O no hydrogen 3.091 N/A THR 18.A N VAL 35.A O no hydrogen 2.832 N/A LYS 20.A N GLU 33.A O no hydrogen 2.880 N/A HIS 21.A ND1 LYS 22.A O no hydrogen 2.884 N/A LYS 22.A NZ GLU 30.A OE2 no hydrogen 2.468 N/A LEU 23.A N VAL 31.A O no hydrogen 2.770 N/A GLY 26.A N LEU 23.A O no hydrogen 2.981 N/A GLN 27.A N GLY 24.A O no hydrogen 3.124 N/A GLN 27.A NE2 GLY 24.A O no hydrogen 3.076 N/A GLY 29.A N GLY 26.A O no hydrogen 3.457 N/A VAL 31.A N GLY 29.A O no hydrogen 2.732 N/A TYR 32.A N VAL 45.A O no hydrogen 2.824 N/A TYR 32.A OH GLU 30.A OE1 no hydrogen 2.795 N/A GLU 33.A N HIS 21.A O no hydrogen 3.039 N/A GLY 34.A N VAL 43.A O no hydrogen 2.816 N/A VAL 35.A N THR 18.A O no hydrogen 2.932 N/A TRP 36.A N LEU 41.A O no hydrogen 2.786 N/A LYS 37.A N ASP 16.A O no hydrogen 3.099 N/A LYS 37.A NZ THR 15.A O no hydrogen 3.003 N/A LYS 38.A NZ TYR 39.A OH no hydrogen 2.409 N/A TYR 39.A N TRP 36.A O no hydrogen 2.878 N/A SER 40.A N LYS 37.A O no hydrogen 3.059 N/A LEU 41.A N TRP 36.A O no hydrogen 3.248 N/A VAL 43.A N GLY 34.A O no hydrogen 2.759 N/A ALA 44.A N THR 84.A O no hydrogen 2.956 N/A VAL 45.A N TYR 32.A O no hydrogen 2.837 N/A LYS 46.A N ILE 82.A O no hydrogen 2.909 N/A LYS 46.A NZ GLU 55.A OE1 no hydrogen 3.153 N/A THR 47.A N GLU 30.A O no hydrogen 2.901 N/A THR 47.A OG1 LEU 48.A O no hydrogen 3.550 N/A THR 47.A OG1 PHE 80.A O no hydrogen 2.977 N/A LEU 48.A N PHE 80.A O no hydrogen 3.315 N/A LEU 53.A N VAL 49.A O no hydrogen 2.918 N/A LYS 54.A N GLU 50.A O no hydrogen 2.796 N/A GLU 55.A N GLU 51.A O no hydrogen 2.882 N/A ALA 56.A N PHE 52.A O no hydrogen 3.046 N/A ALA 57.A N LEU 53.A O no hydrogen 2.921 N/A VAL 58.A N LYS 54.A O no hydrogen 3.013 N/A MET 59.A N GLU 55.A O no hydrogen 3.071 N/A LYS 60.A N ALA 56.A O no hydrogen 3.181 N/A LYS 60.A NZ ASP 8.A OD2 no hydrogen 2.648 N/A GLU 61.A N VAL 58.A O no hydrogen 2.963 N/A ILE 62.A N MET 59.A O no hydrogen 3.245 N/A LYS 63.A N TYR 122.A OH no hydrogen 2.817 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.761 N/A ASN 66.A ND2 VAL 146.A O no hydrogen 2.990 N/A LEU 67.A N HIS 64.A O no hydrogen 3.135 N/A VAL 68.A N VAL 148.A O no hydrogen 3.068 N/A GLN 69.A N GLU 85.A OE1 no hydrogen 2.717 N/A GLN 69.A NE2 LEU 70.A O no hydrogen 2.695 N/A LEU 71.A N ILE 83.A O no hydrogen 2.722 N/A GLY 72.A N ILE 83.A O no hydrogen 3.297 N/A VAL 73.A N TRP 10.A O no hydrogen 2.915 N/A CYS 74.A N TYR 81.A O no hydrogen 2.931 N/A CYS 74.A SG MET 12.A O no hydrogen 3.488 N/A THR 75.A N GLU 11.A OE1 no hydrogen 2.855 N/A THR 75.A OG1 GLU 11.A OE2 no hydrogen 2.633 N/A TYR 81.A N CYS 74.A O no hydrogen 2.942 N/A ILE 82.A N LYS 46.A O no hydrogen 2.812 N/A ILE 83.A N GLY 72.A O no hydrogen 2.873 N/A THR 84.A N ALA 44.A O no hydrogen 2.867 N/A THR 84.A OG1 GLU 85.A O no hydrogen 2.893 N/A GLU 85.A N GLN 69.A O no hydrogen 3.226 N/A THR 88.A OG1 GLU 142.A OE2 no hydrogen 3.261 N/A TYR 89.A N VAL 140.A O no hydrogen 2.887 N/A TYR 89.A OH GLU 142.A OE1 no hydrogen 3.345 N/A GLY 90.A N MET 87.A O no hydrogen 3.147 N/A ASN 91.A ND2 TYR 28.A OH no hydrogen 3.520 N/A ASN 91.A ND2 ASP 94.A OD2 no hydrogen 2.934 N/A LEU 92.A N CYS 138.A O no hydrogen 2.864 N/A ASP 94.A N ASN 91.A OD1 no hydrogen 2.996 N/A TYR 95.A N ASN 91.A O no hydrogen 3.045 N/A LEU 96.A N LEU 92.A O no hydrogen 2.888 N/A ARG 97.A N LEU 93.A O no hydrogen 3.118 N/A ARG 97.A NE GLY 203.A O no hydrogen 2.678 N/A ARG 97.A NH2 GLY 203.A O no hydrogen 3.017 N/A GLU 98.A N ASP 94.A O no hydrogen 2.927 N/A GLU 98.A N TYR 95.A O no hydrogen 3.182 N/A CYS 99.A SG LEU 96.A O no hydrogen 3.448 N/A GLN 102.A N ASN 100.A OD1 no hydrogen 2.864 N/A GLU 103.A N ASN 100.A O no hydrogen 3.025 N/A GLU 103.A N ASN 100.A OD1 no hydrogen 3.241 N/A VAL 104.A N ASN 100.A O no hydrogen 2.811 N/A LEU 109.A N SER 105.A O no hydrogen 2.975 N/A LEU 110.A N ALA 106.A O no hydrogen 3.085 N/A TYR 111.A N VAL 107.A O no hydrogen 2.987 N/A MET 112.A N VAL 108.A O no hydrogen 2.840 N/A ALA 113.A N LEU 109.A O no hydrogen 3.028 N/A THR 114.A N LEU 110.A O no hydrogen 3.008 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.743 N/A GLN 115.A N TYR 111.A O no hydrogen 3.002 N/A GLN 115.A NE2 TYR 111.A O no hydrogen 3.260 N/A GLN 115.A NE2 HIS 144.A O no hydrogen 2.868 N/A ILE 116.A N MET 112.A O no hydrogen 3.079 N/A SER 117.A N ALA 113.A O no hydrogen 2.958 N/A SER 117.A OG ALA 113.A O no hydrogen 3.552 N/A SER 117.A OG THR 114.A O no hydrogen 2.803 N/A SER 117.A OG HIS 257.A ND1 no hydrogen 3.213 N/A SER 118.A N THR 114.A O no hydrogen 3.058 N/A SER 118.A OG HIS 64.A NE2 no hydrogen 3.177 N/A ALA 119.A N GLN 115.A O no hydrogen 3.131 N/A MET 120.A N ILE 116.A O no hydrogen 2.951 N/A GLU 121.A N SER 117.A O no hydrogen 2.874 N/A TYR 122.A N SER 118.A O no hydrogen 3.070 N/A LEU 123.A N ALA 119.A O no hydrogen 2.958 N/A GLU 124.A N MET 120.A O no hydrogen 2.843 N/A LYS 125.A N GLU 121.A O no hydrogen 2.874 N/A LYS 126.A N TYR 122.A O no hydrogen 3.021 N/A ASN 127.A N GLU 124.A O no hydrogen 3.191 N/A PHE 128.A N LEU 123.A O no hydrogen 2.929 N/A HIS 130.A N ASP 188.A OD2 no hydrogen 2.573 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.724 N/A ARG 131.A N ASP 188.A OD1 no hydrogen 2.889 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 2.978 N/A ALA 135.A N GLU 198.A OE2 no hydrogen 2.891 N/A ARG 136.A NE TYR 160.A OH no hydrogen 2.801 N/A ARG 136.A NH2 ASP 132.A OD1 no hydrogen 3.002 N/A ASN 137.A N ALA 134.A O no hydrogen 2.920 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.908 N/A CYS 138.A N ALA 135.A O no hydrogen 3.041 N/A CYS 138.A SG ALA 134.A O no hydrogen 3.669 N/A LEU 139.A N LYS 147.A O no hydrogen 2.790 N/A VAL 140.A N GLY 90.A O no hydrogen 2.802 N/A GLY 141.A N LEU 145.A O no hydrogen 2.805 N/A HIS 144.A NE2 GLU 103.A OE2 no hydrogen 2.716 N/A LEU 145.A N GLU 142.A O no hydrogen 3.100 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 2.833 N/A LYS 147.A N LEU 139.A O no hydrogen 2.918 N/A LYS 147.A NZ GLU 85.A OE1 no hydrogen 2.903 N/A LYS 147.A NZ GLU 85.A OE2 no hydrogen 3.180 N/A VAL 148.A N ASN 66.A O no hydrogen 2.723 N/A ALA 149.A N ASN 137.A O no hydrogen 2.771 N/A PHE 151.A N ASN 137.A OD1 no hydrogen 2.869 N/A GLY 152.A N ASP 150.A OD1 no hydrogen 3.153 N/A ARG 155.A NH2 GLY 165.A O no hydrogen 2.505 N/A LEU 156.A N LEU 153.A O no hydrogen 2.974 N/A ASP 158.A N ASP 158.A OD1 no hydrogen 2.627 N/A TYR 160.A OH ASP 132.A OD1 no hydrogen 3.291 N/A TYR 160.A OH ASP 132.A OD2 no hydrogen 2.563 N/A THR 161.A N PHE 168.A O no hydrogen 2.915 N/A HIS 163.A N ALA 166.A O no hydrogen 2.255 N/A HIS 163.A NE2 ASN 181.A OD1 no hydrogen 2.954 N/A ALA 166.A N HIS 163.A O no hydrogen 2.489 N/A PHE 168.A N THR 161.A O no hydrogen 2.860 N/A LYS 171.A NZ PRO 206.A O no hydrogen 3.542 N/A LYS 171.A NZ TYR 207.A O no hydrogen 2.713 N/A LYS 171.A NZ ILE 210.A O no hydrogen 3.039 N/A TRP 172.A N PRO 169.A O no hydrogen 2.869 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.925 N/A THR 173.A N ILE 170.A O no hydrogen 3.107 N/A THR 173.A OG1 PRO 169.A O no hydrogen 2.695 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.730 N/A SER 177.A N ALA 174.A O no hydrogen 2.997 N/A SER 177.A OG LYS 182.A O no hydrogen 2.726 N/A LEU 178.A N ALA 174.A O no hydrogen 2.952 N/A ALA 179.A N PRO 175.A O no hydrogen 2.895 N/A TYR 180.A N GLU 176.A O no hydrogen 2.860 N/A ASN 181.A N SER 177.A O no hydrogen 3.005 N/A LYS 182.A N GLU 176.A O no hydrogen 3.277 N/A SER 184.A N SER 187.A OG no hydrogen 2.850 N/A LYS 186.A NZ ARG 250.A O no hydrogen 3.001 N/A SER 187.A N SER 184.A O no hydrogen 3.155 N/A SER 187.A N SER 184.A OG no hydrogen 3.315 N/A SER 187.A OG SER 184.A O no hydrogen 2.955 N/A ASP 188.A N SER 184.A O no hydrogen 3.164 N/A VAL 189.A N ILE 185.A O no hydrogen 2.974 N/A TRP 190.A N LYS 186.A O no hydrogen 3.109 N/A ALA 191.A N SER 187.A O no hydrogen 3.166 N/A PHE 192.A N ASP 188.A O no hydrogen 2.777 N/A GLY 193.A N VAL 189.A O no hydrogen 3.121 N/A VAL 194.A N TRP 190.A O no hydrogen 3.272 N/A LEU 195.A N ALA 191.A O no hydrogen 2.844 N/A LEU 196.A N PHE 192.A O no hydrogen 2.853 N/A TRP 197.A N GLY 193.A O no hydrogen 3.204 N/A TRP 197.A NE1 GLU 226.A O no hydrogen 2.978 N/A GLU 198.A N VAL 194.A O no hydrogen 2.945 N/A ILE 199.A N LEU 195.A O no hydrogen 2.823 N/A ALA 200.A N LEU 196.A O no hydrogen 2.820 N/A THR 201.A N TRP 197.A O no hydrogen 3.012 N/A THR 201.A OG1 TRP 197.A O no hydrogen 2.929 N/A THR 201.A OG1 GLU 198.A O no hydrogen 3.134 N/A TYR 202.A N ILE 199.A O no hydrogen 3.093 N/A TYR 202.A OH VAL 104.A O no hydrogen 2.677 N/A GLY 203.A N GLU 198.A O no hydrogen 2.838 N/A MET 204.A N THR 201.A OG1 no hydrogen 2.924 N/A ILE 210.A N TYR 207.A O no hydrogen 3.039 N/A SER 213.A N ASP 211.A OD1.B no hydrogen 3.042 N/A SER 213.A OG ASP 211.A OD1.B no hydrogen 2.156 N/A SER 213.A OG ASP 211.A OD2.A no hydrogen 3.424 N/A GLN 214.A N ASP 211.A O.A no hydrogen 2.934 N/A GLN 214.A N ASP 211.A O.B no hydrogen 2.998 N/A GLN 214.A NE2 ASP 211.A OD2.A no hydrogen 2.879 N/A VAL 215.A N LEU 212.A O no hydrogen 3.248 N/A LEU 218.A N GLN 214.A O no hydrogen 2.991 N/A LEU 219.A N VAL 215.A O no hydrogen 2.950 N/A GLU 220.A N TYR 216.A O no hydrogen 2.880 N/A LYS 221.A N GLU 217.A O.A no hydrogen 3.096 N/A LYS 221.A N GLU 217.A O.B no hydrogen 2.969 N/A LYS 221.A NZ GLU 217.A OE2.B no hydrogen 3.447 N/A ASP 222.A N.A LEU 219.A O no hydrogen 2.875 N/A ASP 222.A N.B LEU 219.A O no hydrogen 2.861 N/A TYR 223.A N LEU 218.A O no hydrogen 2.923 N/A ARG 224.A NE TRP 243.A O no hydrogen 2.888 N/A ARG 224.A NH1 LEU 219.A O no hydrogen 2.963 N/A ARG 224.A NH1 TYR 223.A O no hydrogen 2.756 N/A ARG 224.A NH2 TRP 243.A O no hydrogen 3.004 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.662 N/A ARG 227.A NH1 CYS 231.A O no hydrogen 2.812 N/A CYS 231.A N PRO 228.A O no hydrogen 3.063 N/A CYS 231.A SG PRO 232.A O no hydrogen 3.679 N/A TYR 236.A N PRO 232.A O no hydrogen 2.945 N/A TYR 236.A OH MET 225.A O no hydrogen 2.605 N/A GLU 237.A N GLU 233.A O no hydrogen 2.906 N/A LEU 238.A N LYS 234.A O no hydrogen 3.101 N/A MET 239.A N VAL 235.A O no hydrogen 2.924 N/A ARG 240.A N TYR 236.A O no hydrogen 2.910 N/A ARG 240.A NH1 TYR 236.A OH no hydrogen 2.969 N/A ALA 241.A N GLU 237.A O no hydrogen 2.986 N/A CYS 242.A N LEU 238.A O no hydrogen 2.915 N/A CYS 242.A SG LEU 238.A O no hydrogen 3.319 N/A TRP 243.A N MET 239.A O no hydrogen 3.119 N/A GLN 244.A N ALA 241.A O no hydrogen 3.209 N/A SER 248.A N ASN 246.A OD1.A no hydrogen 3.079 N/A SER 248.A OG ASN 246.A OD1.A no hydrogen 2.735 N/A ASP 249.A N ASN 246.A O no hydrogen 2.895 N/A ARG 250.A N PRO 247.A O no hydrogen 3.160 N/A ARG 250.A NE GLN 244.A O no hydrogen 2.861 N/A ARG 250.A NH1 GLU 176.A OE1 no hydrogen 3.529 N/A ARG 250.A NH1 GLU 176.A OE2 no hydrogen 2.845 N/A ARG 250.A NH1 LYS 186.A O no hydrogen 2.941 N/A ARG 250.A NH2 GLU 176.A OE1 no hydrogen 2.831 N/A ARG 250.A NH2 GLN 244.A O no hydrogen 3.150 N/A ARG 250.A NH2 TRP 245.A O no hydrogen 2.988 N/A SER 252.A N GLU 255.A OE2 no hydrogen 3.090 N/A PHE 253.A N GLU 124.A OE2 no hydrogen 2.892 N/A ALA 254.A N GLU 124.A OE1 no hydrogen 3.039 N/A GLU 255.A N SER 252.A OG no hydrogen 3.056 N/A ILE 256.A N SER 252.A O no hydrogen 2.992 N/A HIS 257.A N PHE 253.A O no hydrogen 2.779 N/A HIS 257.A ND1 SER 117.A OG no hydrogen 3.213 N/A GLN 258.A N ALA 254.A O no hydrogen 2.988 N/A ALA 259.A N GLU 255.A O no hydrogen 2.894 N/A PHE 260.A N ILE 256.A O no hydrogen 2.939 N/A GLU 261.A N HIS 257.A O no hydrogen 2.736 N/A THR 262.A N GLN 258.A O no hydrogen 2.978 N/A THR 262.A OG1 GLN 258.A O no hydrogen 3.074 N/A MET 263.A N ALA 259.A O no hydrogen 3.165 N/A PHE 264.A N PHE 260.A O no hydrogen 2.583 N/A GLN 265.A N GLU 261.A O no hydrogen 2.952 N/A