Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9grq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A O no hydrogen 3.303 N/A TRP 5.A N SER 2.A O no hydrogen 3.100 N/A GLN 6.A N GLN 3.A O.A no hydrogen 3.005 N/A GLN 6.A N GLN 3.A O.B no hydrogen 3.009 N/A VAL 9.A N VAL 194.A O no hydrogen 2.940 N/A MET 11.A N ALA 192.A O no hydrogen 2.900 N/A TYR 15.A N PRO 12.A O no hydrogen 3.085 N/A LYS 16.A NZ ASN 13.A OD1 no hydrogen 2.994 N/A LYS 16.A NZ TRP 190.A O no hydrogen 2.717 N/A MET 17.A N LEU 14.A O no hydrogen 3.244 N/A GLN 18.A N TYR 15.A O no hydrogen 3.212 N/A GLN 18.A NE2 LEU 14.A O no hydrogen 2.867 N/A ARG 19.A NE.B ARG 19.A O.B no hydrogen 2.801 N/A ARG 19.A NH2.B ARG 19.A O.B no hydrogen 3.272 N/A MET 20.A N ASN 227.A OD1 no hydrogen 3.087 N/A CYS 25.A N GLU 173.A OE2 no hydrogen 2.945 N/A CYS 25.A SG ASN 233.A OD1 no hydrogen 3.690 N/A ASP 26.A N ASN 233.A OD1 no hydrogen 2.775 N/A ASN 29.A ND2 ILE 237.A O no hydrogen 2.807 N/A TYR 30.A N LEU 27.A O no hydrogen 3.163 N/A ASP 32.A N ASN 29.A O no hydrogen 3.067 N/A ILE 40.A N PRO 37.A O no hydrogen 3.007 N/A ALA 45.A N MET 41.A O no hydrogen 3.044 N/A LYS 46.A N MET 42.A O no hydrogen 2.815 N/A LYS 46.A NZ GLU 203.A OE1 no hydrogen 2.709 N/A LYS 46.A NZ GLU 203.A OE2 no hydrogen 3.294 N/A TYR 47.A N ASN 43.A O no hydrogen 3.059 N/A TYR 47.A OH HIS 69.A NE2 no hydrogen 2.639 N/A THR 48.A N VAL 44.A O no hydrogen 2.867 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.723 N/A GLN 49.A N ALA 45.A O no hydrogen 2.999 N/A GLN 49.A NE2 SER 240.A O no hydrogen 3.413 N/A GLN 49.A NE2 SER 243.A OG no hydrogen 3.107 N/A LEU 50.A N LYS 46.A O no hydrogen 2.974 N/A CYS 51.A N TYR 47.A O no hydrogen 2.908 N/A CYS 51.A SG TYR 47.A O no hydrogen 3.394 N/A GLN 52.A N THR 48.A O no hydrogen 2.830 N/A GLN 52.A NE2 SER 243.A O no hydrogen 2.897 N/A TYR 53.A N GLN 49.A O no hydrogen 2.961 N/A LEU 54.A N LEU 50.A O no hydrogen 2.882 N/A ASN 55.A N CYS 51.A O no hydrogen 2.961 N/A ASN 55.A ND2 PHE 250.A O no hydrogen 2.862 N/A THR 56.A N TYR 53.A O no hydrogen 2.844 N/A THR 56.A OG1 TYR 53.A O no hydrogen 2.662 N/A LEU 57.A N LEU 54.A O no hydrogen 3.080 N/A THR 58.A OG1 ASN 210.A OD1 no hydrogen 2.737 N/A VAL 61.A N THR 257.A OG1 no hydrogen 2.906 N/A ASN 64.A ND2.A ASN 285.A OD1 no hydrogen 2.896 N/A ARG 66.A N ASP 125.A OD2 no hydrogen 2.923 N/A ARG 66.A NH1 LYS 123.A O no hydrogen 2.886 N/A ARG 66.A NH1 GLU 284.A OE2 no hydrogen 3.300 N/A ARG 66.A NH2 GLU 284.A OE2 no hydrogen 3.281 N/A VAL 67.A N LEU 94.A O no hydrogen 2.831 N/A ILE 68.A N LEU 126.A O no hydrogen 3.153 N/A HIS 69.A N VAL 96.A O no hydrogen 2.725 N/A HIS 69.A ND1 THR 82.A OG1 no hydrogen 2.865 N/A HIS 69.A NE2 TYR 47.A OH no hydrogen 2.639 N/A PHE 70.A N ILE 128.A O no hydrogen 2.811 N/A ALA 72.A N SER 98.A O no hydrogen 2.959 N/A GLY 73.A N ASP 99.A OD2.A no hydrogen 2.675 N/A GLY 73.A N ASP 99.A OD2.B no hydrogen 2.990 N/A SER 74.A OG VAL 78.A O no hydrogen 3.073 N/A LYS 76.A N SER 74.A OG no hydrogen 3.055 N/A GLY 77.A N SER 74.A O no hydrogen 2.923 N/A THR 82.A OG1 HIS 69.A ND1 no hydrogen 2.865 N/A THR 82.A OG1 ASP 97.A OD2 no hydrogen 2.732 N/A ALA 83.A N ALA 79.A O no hydrogen 3.123 N/A VAL 84.A N PRO 80.A O no hydrogen 3.062 N/A LEU 85.A N GLY 81.A O no hydrogen 2.870 N/A ARG 86.A N THR 82.A O no hydrogen 2.851 N/A ARG 86.A NH1 ASP 108.A OD1 no hydrogen 3.401 N/A ARG 86.A NH1 ASP 108.A OD2 no hydrogen 2.883 N/A ARG 86.A NH2 ASP 108.A OD1 no hydrogen 2.839 N/A GLN 87.A N ALA 83.A O no hydrogen 3.047 N/A TRP 88.A N VAL 84.A O no hydrogen 2.861 N/A TRP 88.A NE1 ASN 55.A OD1 no hydrogen 2.714 N/A LEU 89.A N LEU 85.A O no hydrogen 2.845 N/A THR 93.A N PRO 90.A O no hydrogen 2.998 N/A THR 93.A OG1 PRO 90.A O no hydrogen 2.684 N/A LEU 94.A N MET 65.A O no hydrogen 2.897 N/A LEU 95.A N ASP 108.A OD2 no hydrogen 2.861 N/A VAL 96.A N VAL 67.A O no hydrogen 2.949 N/A ASP 97.A N SER 109.A O no hydrogen 3.050 N/A SER 98.A OG LEU 111.A O no hydrogen 2.743 N/A ASP 99.A N.A LEU 111.A O no hydrogen 3.257 N/A ASP 99.A N.B LEU 111.A O no hydrogen 3.257 N/A LEU 100.A N ASP 99.A OD1.A no hydrogen 2.455 N/A ASN 101.A N ASP 99.A OD1.B no hydrogen 2.845 N/A VAL 104.A N GLY 77.A O no hydrogen 2.780 N/A SER 105.A OG ASP 97.A OD1 no hydrogen 3.425 N/A SER 105.A OG ASP 97.A OD2 no hydrogen 2.526 N/A ALA 107.A N SER 105.A OG no hydrogen 2.883 N/A ASP 108.A N LEU 95.A O no hydrogen 2.832 N/A THR 110.A OG1 ASP 97.A OD1 no hydrogen 2.681 N/A LEU 111.A N ASP 97.A O no hydrogen 2.981 N/A GLY 113.A N ASP 99.A O.A no hydrogen 2.899 N/A GLY 113.A N ASP 99.A O.B no hydrogen 2.840 N/A ALA 116.A N ASP 114.A OD1 no hydrogen 2.960 N/A THR 117.A N ASP 114.A O no hydrogen 2.861 N/A THR 117.A OG1 ASP 114.A O no hydrogen 2.599 N/A THR 117.A OG1 SER 292.A OG no hydrogen 2.824 N/A VAL 118.A N CYS 115.A O no hydrogen 2.940 N/A HIS 119.A N SER 291.A O no hydrogen 2.922 N/A HIS 119.A NE2 ASP 293.A OD2 no hydrogen 2.818 N/A THR 120.A OG1 ASN 122.A O no hydrogen 2.980 N/A ALA 121.A N VAL 289.A O no hydrogen 2.915 N/A ASN 122.A ND2 LYS 123.A O no hydrogen 3.008 N/A TRP 124.A N LYS 160.A O no hydrogen 2.797 N/A TRP 124.A NE1 THR 120.A OG1 no hydrogen 3.018 N/A ASP 125.A N ARG 66.A O no hydrogen 2.918 N/A ILE 127.A N SER 166.A O no hydrogen 3.041 N/A ILE 128.A N ILE 68.A O no hydrogen 2.977 N/A SER 129.A N ALA 168.A O no hydrogen 2.917 N/A ASP 130.A N PHE 70.A O no hydrogen 2.905 N/A MET 131.A N SER 129.A OG no hydrogen 3.211 N/A LYS 135.A N ASP 133.A OD1 no hydrogen 2.994 N/A THR 136.A N ASP 133.A O no hydrogen 2.890 N/A THR 136.A OG1 ASP 133.A O no hydrogen 3.057 N/A LYS 137.A N PRO 134.A O no hydrogen 3.076 N/A LYS 137.A NZ TYR 30.A OH no hydrogen 3.122 N/A THR 140.A N ASN 138.A OD1 no hydrogen 2.958 N/A THR 140.A OG1 ASN 138.A OD1 no hydrogen 2.591 N/A LYS 141.A N ASN 138.A O no hydrogen 3.301 N/A ASN 143.A ND2 GLU 173.A O no hydrogen 2.803 N/A SER 145.A N ASP 144.A OD1.A no hydrogen 2.613 N/A LYS 146.A N TRP 176.A O no hydrogen 2.846 N/A LYS 146.A NZ ASP 144.A O.A no hydrogen 2.804 N/A LYS 146.A NZ ASP 144.A O.B no hydrogen 2.805 N/A LYS 146.A NZ HIS 174.A O no hydrogen 2.837 N/A PHE 150.A N GLU 147.A O no hydrogen 2.908 N/A THR 151.A N GLY 148.A O no hydrogen 3.095 N/A TYR 152.A OH VAL 118.A O no hydrogen 2.766 N/A ILE 153.A N PHE 149.A O no hydrogen 2.917 N/A CYS 154.A N PHE 150.A O no hydrogen 3.003 N/A CYS 154.A SG PHE 150.A O no hydrogen 3.434 N/A CYS 154.A SG ASN 177.A OD1 no hydrogen 3.703 N/A GLY 155.A N THR 151.A O no hydrogen 3.219 N/A PHE 156.A N TYR 152.A O no hydrogen 2.766 N/A ILE 157.A N ILE 153.A O no hydrogen 2.921 N/A GLN 158.A N CYS 154.A O no hydrogen 3.182 N/A GLN 159.A N GLY 155.A O no hydrogen 2.948 N/A LYS 160.A N PHE 156.A O no hydrogen 2.714 N/A LYS 160.A NZ THR 120.A O no hydrogen 2.864 N/A LEU 161.A N ILE 157.A O no hydrogen 3.102 N/A ALA 162.A N TRP 124.A O no hydrogen 2.838 N/A GLY 164.A N TYR 211.A O no hydrogen 2.747 N/A GLY 165.A N ALA 162.A O no hydrogen 2.842 N/A SER 166.A N ASP 125.A O no hydrogen 3.152 N/A VAL 167.A N GLY 208.A O no hydrogen 2.944 N/A ALA 168.A N ILE 127.A O no hydrogen 2.920 N/A ILE 169.A N LEU 206.A O.A no hydrogen 2.832 N/A ILE 169.A N LEU 206.A O.B no hydrogen 2.973 N/A LYS 170.A N SER 129.A O no hydrogen 2.899 N/A LYS 170.A NZ ASP 130.A OD1 no hydrogen 2.466 N/A LYS 170.A NZ GLU 203.A OE1 no hydrogen 3.090 N/A ILE 171.A N ALA 204.A O no hydrogen 2.815 N/A THR 172.A N SER 175.A O no hydrogen 2.961 N/A GLU 173.A N SER 202.A OG no hydrogen 2.963 N/A SER 175.A N THR 172.A OG1 no hydrogen 2.881 N/A TRP 176.A NE1 ASN 143.A OD1 no hydrogen 2.893 N/A ASN 177.A ND2 LYS 146.A O no hydrogen 2.719 N/A ALA 178.A N SER 145.A OG no hydrogen 2.823 N/A LEU 180.A N ASN 177.A OD1 no hydrogen 2.793 N/A TYR 181.A N ASN 177.A O no hydrogen 3.353 N/A TYR 181.A OH HIS 225.A ND1 no hydrogen 2.756 N/A LYS 182.A N ALA 178.A O no hydrogen 2.937 N/A LEU 183.A N ASP 179.A O no hydrogen 2.765 N/A MET 184.A N LEU 180.A O no hydrogen 3.137 N/A MET 184.A N TYR 181.A O no hydrogen 3.026 N/A GLY 185.A N LYS 182.A O no hydrogen 3.022 N/A HIS 186.A N LEU 183.A O no hydrogen 2.775 N/A PHE 187.A N MET 184.A O no hydrogen 3.247 N/A ALA 188.A N ASN 210.A O no hydrogen 2.860 N/A TRP 189.A N CYS 209.A O no hydrogen 3.217 N/A THR 191.A N ILE 207.A O no hydrogen 2.970 N/A THR 191.A OG1 ALA 192.A O no hydrogen 3.422 N/A PHE 193.A N PHE 205.A O no hydrogen 2.828 N/A VAL 194.A N VAL 9.A O no hydrogen 2.965 N/A ASN 196.A N PRO 7.A O no hydrogen 2.962 N/A ASN 196.A ND2 GLN 3.A O.A no hydrogen 2.777 N/A ASN 196.A ND2 GLN 3.A O.B no hydrogen 2.772 N/A ASN 196.A ND2 GLN 6.A O no hydrogen 2.830 N/A VAL 197.A N GLN 49.A OE1 no hydrogen 2.806 N/A ASN 198.A N THR 195.A O no hydrogen 3.153 N/A ASN 198.A ND2 GLU 203.A OE2 no hydrogen 3.062 N/A ALA 199.A N ASN 196.A O no hydrogen 3.455 N/A SER 200.A OG ASP 32.A O no hydrogen 2.771 N/A SER 201.A N ASN 198.A O no hydrogen 3.014 N/A GLU 203.A N SER 201.A OG no hydrogen 2.996 N/A ALA 204.A N ILE 171.A O no hydrogen 2.936 N/A PHE 205.A N PHE 193.A O no hydrogen 2.756 N/A LEU 206.A N.A ILE 169.A O no hydrogen 2.790 N/A LEU 206.A N.B ILE 169.A O no hydrogen 2.782 N/A ILE 207.A N THR 191.A O no hydrogen 2.841 N/A GLY 208.A N VAL 167.A O no hydrogen 3.029 N/A CYS 209.A N TRP 189.A O no hydrogen 2.745 N/A CYS 209.A SG THR 58.A OG1 no hydrogen 3.627 N/A CYS 209.A SG ASN 210.A OD1 no hydrogen 3.449 N/A ASN 210.A N SER 166.A OG no hydrogen 3.066 N/A ASN 210.A ND2 THR 58.A O no hydrogen 2.982 N/A ASN 210.A ND2 GLY 164.A O no hydrogen 3.095 N/A TYR 211.A N GLY 165.A O no hydrogen 2.709 N/A LEU 212.A N HIS 186.A O no hydrogen 2.828 N/A ARG 216.A N GLY 185.A O no hydrogen 2.676 N/A ARG 216.A NE PHE 187.A O no hydrogen 3.085 N/A GLU 217.A N GLY 185.A O no hydrogen 3.217 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 3.124 N/A MET 224.A N ASP 220.A O no hydrogen 2.868 N/A HIS 225.A N GLY 221.A O no hydrogen 3.042 N/A HIS 225.A ND1 TYR 181.A OH no hydrogen 2.756 N/A HIS 225.A NE2 GLU 173.A O no hydrogen 2.866 N/A ALA 226.A N TYR 222.A O no hydrogen 3.197 N/A ASN 227.A N VAL 223.A O no hydrogen 2.793 N/A ASN 227.A ND2 LYS 16.A O no hydrogen 3.363 N/A ASN 227.A ND2 GLN 18.A O no hydrogen 2.852 N/A TYR 228.A N MET 224.A O no hydrogen 2.836 N/A TYR 228.A OH SER 202.A O no hydrogen 2.580 N/A ILE 229.A N HIS 225.A O no hydrogen 2.922 N/A PHE 230.A N ALA 226.A O no hydrogen 2.951 N/A TRP 231.A N ASN 227.A O no hydrogen 2.997 N/A ARG 232.A N TYR 228.A O no hydrogen 3.012 N/A ARG 232.A NH1 SER 201.A O no hydrogen 2.862 N/A ARG 232.A NH1 TYR 228.A OH no hydrogen 3.100 N/A ARG 232.A NH2 SER 201.A O no hydrogen 3.078 N/A ASN 233.A N ILE 229.A O no hydrogen 2.743 N/A ASN 233.A ND2 LYS 24.A O no hydrogen 2.906 N/A THR 234.A N PHE 230.A O no hydrogen 3.112 N/A THR 234.A N TRP 231.A O no hydrogen 3.172 N/A THR 234.A OG1 PHE 230.A O no hydrogen 2.828 N/A THR 234.A OG1 TRP 231.A O no hydrogen 3.456 N/A ASN 235.A ND2 TYR 15.A OH no hydrogen 2.623 N/A ASN 235.A ND2 TRP 231.A O no hydrogen 3.134 N/A SER 240.A N ASN 196.A O no hydrogen 3.060 N/A SER 240.A OG ALA 4.A O no hydrogen 2.501 N/A SER 241.A OG.A THR 35.A O.A no hydrogen 3.222 N/A SER 241.A OG.A THR 35.A O.B no hydrogen 3.204 N/A SER 241.A OG.B THR 35.A O.A no hydrogen 3.062 N/A SER 241.A OG.B THR 35.A O.B no hydrogen 2.823 N/A TYR 242.A N.A SER 240.A OG no hydrogen 3.165 N/A TYR 242.A N.B SER 240.A OG no hydrogen 3.202 N/A SER 243.A OG GLN 52.A OE1 no hydrogen 2.664 N/A LEU 244.A N SER 241.A O.A no hydrogen 3.104 N/A LEU 244.A N SER 241.A O.B no hydrogen 3.031 N/A PHE 245.A N TYR 242.A O.A no hydrogen 3.095 N/A PHE 245.A N TYR 242.A O.B no hydrogen 2.929 N/A ASP 246.A N SER 243.A O no hydrogen 3.192 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 3.274 N/A PHE 250.A N MET 247.A O no hydrogen 3.090 N/A LEU 252.A N TRP 88.A O no hydrogen 2.904 N/A ARG 255.A NH1 LEU 59.A O no hydrogen 2.828 N/A THR 257.A N VAL 61.A O no hydrogen 3.221 N/A MET 260.A N ILE 281.A O no hydrogen 2.909 N/A LYS 263.A N GLN 266.A OE1 no hydrogen 2.876 N/A GLN 266.A N LYS 263.A O no hydrogen 2.784 N/A ILE 267.A N GLU 264.A O no hydrogen 3.285 N/A ILE 271.A N ASN 268.A OD1 no hydrogen 2.798 N/A LEU 272.A N ASN 268.A O no hydrogen 2.994 N/A SER 273.A N ASP 269.A O no hydrogen 2.805 N/A LEU 274.A N MET 270.A O no hydrogen 3.004 N/A LEU 275.A N ILE 271.A O no hydrogen 2.819 N/A SER 276.A N LEU 272.A O no hydrogen 2.892 N/A SER 276.A OG LEU 272.A O no hydrogen 2.894 N/A LYS 277.A N LEU 274.A O no hydrogen 3.107 N/A LYS 277.A NZ SER 273.A OG no hydrogen 3.424 N/A GLY 278.A N LEU 275.A O no hydrogen 3.188 N/A ARG 279.A N LEU 274.A O no hydrogen 3.120 N/A ILE 281.A N ALA 258.A O no hydrogen 2.834 N/A ILE 282.A N LEU 163.A O no hydrogen 2.993 N/A ARG 283.A N MET 260.A O no hydrogen 3.028 N/A ARG 283.A NE ASP 125.A OD1 no hydrogen 2.728 N/A ARG 283.A NH1 GLU 284.A O no hydrogen 2.871 N/A ARG 283.A NH1 ASN 285.A OD1 no hydrogen 2.939 N/A ARG 283.A NH2 ASP 125.A OD1 no hydrogen 3.431 N/A ARG 283.A NH2 ASP 125.A OD2 no hydrogen 2.973 N/A ASN 286.A N GLU 284.A OE2 no hydrogen 3.067 N/A VAL 289.A N ASN 122.A OD1 no hydrogen 3.177 N/A SER 291.A N HIS 119.A O no hydrogen 2.879 N/A SER 292.A OG THR 117.A OG1 no hydrogen 2.824 N/A SER 292.A OG ASP 293.A O no hydrogen 3.561 N/A ASP 293.A N THR 117.A O no hydrogen 2.810 N/A GLU 299.A N.B GLU 299.A OE1.B no hydrogen 2.772 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 3.172 N/A ASN 300.A ND2 ASN 298.A OD1 no hydrogen 3.188 N/A