Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N HIS 74.A ND1 no hydrogen 3.061 N/A VAL 4.A N THR 27.A O no hydrogen 2.870 N/A CYS 5.A N GLY 75.A O no hydrogen 2.848 N/A CYS 5.A SG ARG 29.A O no hydrogen 3.612 N/A VAL 6.A N ARG 29.A O no hydrogen 2.984 N/A THR 7.A N PHE 77.A O no hydrogen 2.958 N/A THR 7.A OG1 PHE 77.A O no hydrogen 3.477 N/A THR 7.A OG1 HIS 78.A ND1 no hydrogen 2.739 N/A ALA 9.A N THR 31.A O no hydrogen 3.097 N/A GLY 11.A N GLY 8.A O no hydrogen 3.114 N/A SER 15.A N GLY 11.A O no hydrogen 3.050 N/A SER 15.A OG ALA 9.A O no hydrogen 3.201 N/A SER 15.A OG GLY 11.A O no hydrogen 2.636 N/A SER 15.A OG HIS 42.A NE2 no hydrogen 3.053 N/A LEU 17.A N ILE 13.A O no hydrogen 2.944 N/A VAL 18.A N ALA 14.A O no hydrogen 2.761 N/A LYS 19.A N SER 15.A O no hydrogen 2.945 N/A LYS 19.A NZ GLU 23.A OE2 no hydrogen 2.976 N/A LEU 20.A N TRP 16.A O no hydrogen 3.024 N/A LEU 21.A N LEU 17.A O no hydrogen 2.876 N/A LEU 22.A N VAL 18.A O no hydrogen 2.921 N/A GLU 23.A N LYS 19.A O no hydrogen 3.042 N/A ARG 24.A N LEU 20.A O no hydrogen 3.043 N/A GLY 25.A N LEU 22.A O no hydrogen 3.180 N/A TYR 26.A N LEU 21.A O no hydrogen 2.999 N/A TYR 26.A OH GLU 225.A OE2 no hydrogen 2.381 N/A THR 27.A N GLN 2.A O no hydrogen 2.820 N/A VAL 28.A N ARG 52.A O no hydrogen 2.743 N/A ARG 29.A N VAL 4.A O no hydrogen 2.876 N/A ARG 29.A NH1 VAL 69.A O no hydrogen 2.922 N/A ARG 29.A NH1 HIS 71.A O no hydrogen 2.689 N/A GLY 30.A N THR 54.A O no hydrogen 2.839 N/A THR 31.A N VAL 6.A O no hydrogen 2.868 N/A VAL 32.A N HIS 56.A O no hydrogen 2.828 N/A GLU 36.A N ASN 34.A OD1 no hydrogen 3.229 N/A LYS 39.A N ASP 37.A OD1 no hydrogen 3.081 N/A ASN 40.A N ASP 37.A O no hydrogen 3.065 N/A ASN 40.A ND2 ASN 34.A O no hydrogen 2.839 N/A GLY 41.A N PRO 38.A O no hydrogen 2.849 N/A HIS 42.A NE2 SER 15.A OG no hydrogen 3.053 N/A LEU 43.A N ASN 40.A O no hydrogen 3.066 N/A GLU 45.A N HIS 42.A O no hydrogen 3.394 N/A LEU 46.A N LEU 43.A O no hydrogen 2.936 N/A ALA 49.A N LEU 46.A O no hydrogen 2.989 N/A ARG 52.A N GLY 48.A O no hydrogen 2.871 N/A ARG 52.A NH1 LEU 22.A O no hydrogen 2.944 N/A ARG 52.A NH1 TYR 26.A O no hydrogen 3.044 N/A ARG 52.A NH2 LEU 22.A O no hydrogen 3.458 N/A LEU 53.A N ALA 49.A O no hydrogen 2.933 N/A THR 54.A N VAL 28.A O no hydrogen 2.879 N/A THR 54.A OG1 VAL 28.A O no hydrogen 3.508 N/A THR 54.A OG1 HIS 56.A NE2 no hydrogen 2.756 N/A HIS 56.A N GLY 30.A O no hydrogen 2.822 N/A HIS 56.A NE2 THR 54.A OG1 no hydrogen 2.756 N/A VAL 58.A N VAL 32.A O no hydrogen 2.999 N/A ASP 59.A N SER 65.A OG no hydrogen 3.057 N/A LEU 61.A N ASP 59.A OD1 no hydrogen 3.160 N/A ASP 62.A N ASP 59.A O no hydrogen 3.069 N/A SER 65.A N ASP 62.A O no hydrogen 2.863 N/A ILE 66.A N ASP 62.A O no hydrogen 3.440 N/A GLN 67.A N LEU 63.A O no hydrogen 2.935 N/A GLN 67.A NE2 GLN 67.A O no hydrogen 3.219 N/A GLN 67.A NE2 ALA 98.A O no hydrogen 2.964 N/A SER 68.A N GLN 64.A O no hydrogen 3.254 N/A SER 68.A OG SER 65.A O no hydrogen 3.308 N/A VAL 69.A N ILE 66.A O no hydrogen 3.076 N/A VAL 70.A N ILE 66.A O no hydrogen 2.891 N/A HIS 71.A N GLN 67.A O no hydrogen 3.093 N/A CYS 73.A N VAL 70.A O no hydrogen 2.961 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.473 N/A HIS 74.A N THR 3.A O no hydrogen 2.855 N/A VAL 76.A N ARG 106.A O no hydrogen 3.103 N/A PHE 77.A N CYS 5.A O no hydrogen 2.630 N/A HIS 78.A N VAL 108.A O no hydrogen 2.814 N/A HIS 78.A ND1 THR 7.A OG1 no hydrogen 2.739 N/A HIS 78.A NE2 THR 92.A OG1 no hydrogen 3.017 N/A THR 79.A N THR 7.A OG1 no hydrogen 3.059 N/A THR 79.A OG1 THR 7.A O no hydrogen 2.619 N/A ALA 88.A N MET 84.A O no hydrogen 2.948 N/A VAL 89.A N LEU 85.A O no hydrogen 2.941 N/A ASN 90.A N GLU 86.A O no hydrogen 2.913 N/A GLY 91.A N PRO 87.A O no hydrogen 2.851 N/A THR 92.A N ALA 88.A O no hydrogen 2.925 N/A THR 92.A OG1 HIS 78.A NE2 no hydrogen 3.017 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.140 N/A LYS 93.A N VAL 89.A O no hydrogen 2.983 N/A LYS 93.A NZ ASN 90.A OD1 no hydrogen 2.601 N/A LYS 93.A NZ ASN 94.A OD1 no hydrogen 3.533 N/A ASN 94.A N ASN 90.A O no hydrogen 3.095 N/A ASN 94.A ND2 LEU 60.A O no hydrogen 2.771 N/A VAL 95.A N GLY 91.A O no hydrogen 2.974 N/A ILE 96.A N THR 92.A O no hydrogen 2.963 N/A ILE 97.A N LYS 93.A O no hydrogen 2.863 N/A ALA 98.A N ASN 94.A O no hydrogen 2.909 N/A SER 99.A N VAL 95.A O no hydrogen 2.899 N/A SER 99.A OG VAL 95.A O no hydrogen 2.759 N/A ALA 100.A N ILE 96.A O no hydrogen 2.976 N/A GLU 101.A N ILE 97.A O no hydrogen 3.180 N/A ALA 102.A N ALA 98.A O no hydrogen 3.018 N/A LYS 103.A N ALA 100.A O no hydrogen 3.216 N/A LYS 103.A NZ ALA 100.A O no hydrogen 3.323 N/A VAL 104.A N SER 99.A O no hydrogen 3.167 N/A ARG 105.A N HIS 74.A O no hydrogen 2.746 N/A ARG 105.A NH1 ASN 227.A OD1 no hydrogen 3.036 N/A ARG 105.A NH2 TYR 224.A O no hydrogen 2.713 N/A ARG 105.A NH2 ASN 227.A OD1 no hydrogen 2.941 N/A ARG 106.A NE ASP 167.A OD1 no hydrogen 3.276 N/A ARG 106.A NE ASP 167.A OD2 no hydrogen 3.226 N/A ARG 106.A NH1 VAL 223.A O no hydrogen 2.823 N/A ARG 106.A NH1 THR 226.A O no hydrogen 2.888 N/A ARG 106.A NH2 ASP 167.A OD2 no hydrogen 2.941 N/A ARG 106.A NH2 ASN 227.A O no hydrogen 3.023 N/A VAL 107.A N ASP 167.A O no hydrogen 2.790 N/A VAL 108.A N VAL 76.A O no hydrogen 2.816 N/A PHE 109.A N VAL 169.A O no hydrogen 2.834 N/A THR 110.A N HIS 78.A O no hydrogen 2.930 N/A THR 110.A OG1 HIS 220.A NE2 no hydrogen 2.557 N/A SER 111.A N VAL 171.A O no hydrogen 2.808 N/A SER 111.A OG GLU 154.A OE1 no hydrogen 2.631 N/A SER 112.A OG TYR 146.A OH no hydrogen 3.291 N/A ILE 113.A N PRO 173.A O no hydrogen 2.958 N/A GLY 114.A N SER 112.A OG no hydrogen 2.877 N/A THR 115.A N SER 112.A O no hydrogen 3.125 N/A THR 115.A OG1 SER 112.A O no hydrogen 3.147 N/A THR 115.A OG1 GLU 154.A OE1 no hydrogen 2.656 N/A VAL 116.A N ILE 113.A O no hydrogen 2.890 N/A MET 118.A N SER 134.A OG no hydrogen 2.946 N/A ASP 119.A N TYR 117.A O no hydrogen 2.851 N/A ASN 121.A N ASP 119.A OD1 no hydrogen 2.785 N/A THR 122.A N ASP 119.A O no hydrogen 2.624 N/A ARG 124.A NH1 THR 207.A OG1 no hydrogen 3.163 N/A ARG 124.A NH1 LYS 271.A O no hydrogen 2.546 N/A ASP 125.A N SER 123.A OG no hydrogen 3.145 N/A VAL 126.A N SER 123.A OG no hydrogen 3.130 N/A VAL 128.A N LYS 274.A O no hydrogen 2.702 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.645 N/A SER 131.A N ASP 129.A OD1 no hydrogen 3.248 N/A SER 131.A OG ASP 129.A OD1 no hydrogen 2.803 N/A TYR 132.A N ASP 129.A O no hydrogen 3.104 N/A SER 134.A N THR 115.A O no hydrogen 3.011 N/A SER 134.A OG GLY 114.A O no hydrogen 2.721 N/A ASP 135.A N MET 118.A O no hydrogen 2.736 N/A HIS 138.A N ASP 135.A OD1 no hydrogen 3.032 N/A CYS 139.A N ASP 135.A O no hydrogen 2.912 N/A CYS 139.A SG ASP 135.A O no hydrogen 3.160 N/A LYS 140.A N LEU 136.A O no hydrogen 2.927 N/A LYS 140.A NZ TYR 148.A OH no hydrogen 3.564 N/A ASN 141.A N GLU 137.A O no hydrogen 2.688 N/A THR 142.A N HIS 138.A O no hydrogen 3.220 N/A THR 142.A N CYS 139.A O no hydrogen 3.321 N/A THR 142.A OG1 HIS 138.A O no hydrogen 2.592 N/A LYS 143.A N LYS 140.A O no hydrogen 3.260 N/A ASN 144.A N CYS 139.A O no hydrogen 2.984 N/A TRP 145.A N LYS 143.A O no hydrogen 2.867 N/A TYR 146.A OH SER 112.A OG no hydrogen 3.291 N/A CYS 147.A N ASN 144.A OD1 no hydrogen 3.312 N/A CYS 147.A SG GLY 114.A O no hydrogen 3.538 N/A TYR 148.A N ASN 144.A O no hydrogen 3.135 N/A GLY 149.A N TRP 145.A O no hydrogen 3.010 N/A LYS 150.A N TYR 146.A O no hydrogen 2.969 N/A THR 151.A N CYS 147.A O no hydrogen 3.002 N/A THR 151.A OG1 CYS 147.A O no hydrogen 2.767 N/A VAL 152.A N TYR 148.A O no hydrogen 2.894 N/A ALA 153.A N GLY 149.A O no hydrogen 2.878 N/A GLU 154.A N LYS 150.A O no hydrogen 2.924 N/A GLN 155.A N THR 151.A O no hydrogen 2.985 N/A SER 156.A N VAL 152.A O no hydrogen 2.795 N/A ALA 157.A N ALA 153.A O no hydrogen 2.832 N/A TRP 158.A N GLU 154.A O no hydrogen 3.076 N/A TRP 158.A NE1 GLU 154.A OE2 no hydrogen 3.005 N/A ASP 159.A N GLN 155.A O no hydrogen 3.076 N/A ILE 160.A N SER 156.A O no hydrogen 2.879 N/A ALA 161.A N ALA 157.A O no hydrogen 2.839 N/A LYS 162.A N TRP 158.A O no hydrogen 2.823 N/A GLU 163.A N ASP 159.A O no hydrogen 2.867 N/A ASN 164.A N ILE 160.A O no hydrogen 3.165 N/A ASN 164.A ND2 ILE 160.A O no hydrogen 2.635 N/A GLN 165.A N LYS 162.A O no hydrogen 3.315 N/A VAL 166.A N ALA 161.A O no hydrogen 2.902 N/A VAL 169.A N VAL 107.A O no hydrogen 2.871 N/A VAL 170.A N GLY 231.A O no hydrogen 3.108 N/A VAL 171.A N PHE 109.A O no hydrogen 3.058 N/A ASN 172.A N TYR 233.A O no hydrogen 2.690 N/A ASN 172.A ND2 SER 112.A O no hydrogen 2.962 N/A ASN 172.A ND2 GLU 154.A OE1 no hydrogen 3.031 N/A VAL 174.A N CYS 235.A O no hydrogen 3.274 N/A VAL 175.A N SER 209.A O no hydrogen 3.052 N/A LEU 177.A N VAL 211.A O no hydrogen 2.999 N/A GLY 178.A N THR 297.A OG1 no hydrogen 2.976 N/A LEU 180.A N SER 300.A OG no hydrogen 2.816 N/A ASN 186.A ND2 VAL 176.A O no hydrogen 3.035 N/A THR 189.A N ASN 186.A OD1 no hydrogen 2.820 N/A THR 189.A OG1 ASN 186.A OD1 no hydrogen 3.055 N/A ILE 190.A N ASN 186.A O no hydrogen 3.033 N/A HIS 191.A N ALA 187.A O no hydrogen 2.953 N/A ILE 192.A N SER 188.A O no hydrogen 2.782 N/A LEU 193.A N THR 189.A O no hydrogen 2.759 N/A LYS 194.A N ILE 190.A O no hydrogen 2.877 N/A TYR 195.A N HIS 191.A O no hydrogen 2.856 N/A LEU 196.A N ILE 192.A O no hydrogen 3.097 N/A ASN 197.A N LEU 193.A O no hydrogen 2.874 N/A GLY 198.A N TYR 195.A O no hydrogen 3.218 N/A ALA 199.A N ASN 197.A OD1 no hydrogen 2.938 N/A ALA 200.A N LYS 194.A O no hydrogen 2.901 N/A LYS 201.A NZ LEU 258.A O no hydrogen 3.137 N/A TYR 203.A N LYS 261.A O no hydrogen 3.121 N/A ASN 205.A ND2 ASP 264.A OD2 no hydrogen 3.222 N/A ASN 205.A ND2 PRO 268.A O no hydrogen 3.047 N/A GLN 208.A N LEU 240.A O no hydrogen 2.961 N/A TYR 210.A N THR 238.A O no hydrogen 3.188 N/A VAL 211.A N VAL 175.A O no hydrogen 2.962 N/A HIS 212.A NE2 ASP 296.A OD2 no hydrogen 2.862 N/A VAL 213.A N LEU 177.A O no hydrogen 2.845 N/A LYS 214.A N HIS 212.A ND1 no hydrogen 3.075 N/A VAL 216.A N HIS 212.A O no hydrogen 3.153 N/A ALA 217.A N VAL 213.A O no hydrogen 3.098 N/A LEU 218.A N LYS 214.A O no hydrogen 3.040 N/A ALA 219.A N ASP 215.A O no hydrogen 2.669 N/A HIS 220.A N VAL 216.A O no hydrogen 3.027 N/A HIS 220.A ND1 VAL 216.A O no hydrogen 2.632 N/A HIS 220.A NE2 THR 110.A OG1 no hydrogen 2.557 N/A LEU 221.A N ALA 217.A O no hydrogen 3.062 N/A LEU 222.A N LEU 218.A O no hydrogen 2.927 N/A VAL 223.A N ALA 219.A O no hydrogen 3.051 N/A TYR 224.A N HIS 220.A O no hydrogen 3.173 N/A TYR 224.A OH GLN 2.A OE1 no hydrogen 2.662 N/A GLU 225.A N LEU 221.A O no hydrogen 2.789 N/A THR 226.A N LEU 222.A O no hydrogen 2.926 N/A THR 226.A OG1 LEU 222.A O no hydrogen 2.756 N/A ALA 229.A N THR 226.A O no hydrogen 2.823 N/A SER 230.A N TYR 233.A OH no hydrogen 3.023 N/A ARG 232.A NE GLU 154.A OE2 no hydrogen 2.830 N/A ARG 232.A NH1 GLU 130.A O no hydrogen 2.988 N/A ARG 232.A NH1 TYR 132.A O no hydrogen 2.803 N/A ARG 232.A NH2 THR 115.A O no hydrogen 2.990 N/A ARG 232.A NH2 THR 115.A OG1 no hydrogen 2.689 N/A TYR 233.A OH SER 230.A O no hydrogen 3.269 N/A ILE 234.A N GLU 130.A OE2 no hydrogen 2.922 N/A CYS 235.A N ASN 172.A O no hydrogen 2.992 N/A CYS 236.A SG PHE 275.A O no hydrogen 3.927 N/A GLU 237.A N TYR 210.A O no hydrogen 3.001 N/A THR 238.A OG1 GLU 237.A OE1 no hydrogen 2.817 N/A LEU 240.A N GLN 208.A O no hydrogen 2.806 N/A HIS 241.A N GLU 244.A OE2 no hydrogen 2.668 N/A HIS 241.A NE2 ASN 205.A OD1 no hydrogen 2.922 N/A ARG 242.A N ALA 206.A O no hydrogen 2.955 N/A GLY 243.A N HIS 241.A ND1 no hydrogen 2.923 N/A VAL 245.A N HIS 241.A O no hydrogen 3.103 N/A VAL 246.A N ARG 242.A O no hydrogen 2.959 N/A GLU 247.A N GLY 243.A O no hydrogen 3.032 N/A ILE 248.A N GLU 244.A O no hydrogen 3.084 N/A LEU 249.A N VAL 245.A O no hydrogen 3.002 N/A ALA 250.A N VAL 246.A O no hydrogen 2.891 N/A LYS 251.A N GLU 247.A O no hydrogen 3.257 N/A LYS 251.A N ILE 248.A O no hydrogen 3.058 N/A TYR 252.A N ILE 248.A O no hydrogen 3.096 N/A PHE 253.A N LEU 249.A O no hydrogen 2.675 N/A GLU 255.A N GLU 255.A OE2 no hydrogen 2.654 N/A TYR 256.A N PHE 253.A O no hydrogen 3.067 N/A THR 260.A N LYS 201.A O no hydrogen 2.889 N/A CYS 262.A SG TYR 203.A O no hydrogen 3.435 N/A CYS 262.A SG ASP 264.A O no hydrogen 3.311 N/A SER 263.A N TYR 203.A O no hydrogen 2.934 N/A SER 263.A OG TYR 203.A O no hydrogen 3.383 N/A LYS 266.A N ASP 264.A OD1 no hydrogen 3.294 N/A ASN 267.A N ASP 264.A OD1 no hydrogen 3.159 N/A ASN 267.A ND2 ASP 264.A OD1 no hydrogen 3.152 N/A ASN 267.A ND2 ASP 264.A OD2 no hydrogen 3.208 N/A ARG 269.A NH2 TYR 203.A OH no hydrogen 2.751 N/A VAL 270.A N ASN 205.A OD1 no hydrogen 2.878 N/A SER 276.A N VAL 128.A O no hydrogen 2.873 N/A ASN 277.A ND2 CYS 236.A O no hydrogen 2.793 N/A GLN 278.A N SER 276.A OG no hydrogen 3.219 N/A GLN 278.A NE2 ASP 282.A OD1 no hydrogen 3.228 N/A LYS 279.A NZ SER 230.A O no hydrogen 2.972 N/A LYS 279.A NZ ARG 232.A O no hydrogen 2.710 N/A LYS 281.A N ASN 277.A O no hydrogen 3.094 N/A ASP 282.A N GLN 278.A O no hydrogen 2.880 N/A LEU 283.A N LEU 280.A O no hydrogen 3.084 N/A GLY 284.A N LYS 281.A O no hydrogen 2.730 N/A LEU 285.A N LEU 280.A O no hydrogen 3.013 N/A THR 288.A N ASP 215.A OD2 no hydrogen 2.918 N/A THR 288.A OG1 ASP 215.A OD1 no hydrogen 3.511 N/A VAL 290.A N GLU 237.A OE1 no hydrogen 3.006 N/A GLN 292.A N PRO 289.A O no hydrogen 3.111 N/A CYS 293.A N PRO 289.A O no hydrogen 3.370 N/A CYS 293.A SG THR 288.A O no hydrogen 3.914 N/A CYS 293.A SG PRO 289.A O no hydrogen 3.716 N/A LEU 294.A N VAL 290.A O no hydrogen 2.983 N/A TYR 295.A N LYS 291.A O no hydrogen 2.987 N/A ASP 296.A N GLN 292.A O no hydrogen 3.027 N/A THR 297.A N CYS 293.A O no hydrogen 3.020 N/A THR 297.A OG1 CYS 293.A O no hydrogen 2.841 N/A VAL 298.A N LEU 294.A O no hydrogen 3.044 N/A ARG 299.A N TYR 295.A O no hydrogen 2.994 N/A ARG 299.A NE TYR 295.A OH no hydrogen 3.062 N/A ARG 299.A NH1 GLN 302.A OE1 no hydrogen 2.898 N/A ARG 299.A NH2 TYR 295.A OH no hydrogen 2.959 N/A SER 300.A N ASP 296.A O no hydrogen 3.054 N/A LEU 301.A N THR 297.A O no hydrogen 2.999 N/A GLN 302.A N VAL 298.A O no hydrogen 2.951 N/A GLN 302.A NE2 TYR 256.A OH no hydrogen 2.660 N/A GLU 303.A N ARG 299.A O no hydrogen 2.783 N/A LYS 304.A N SER 300.A O no hydrogen 2.932 N/A LYS 304.A NZ LEU 180.A O no hydrogen 2.949 N/A GLY 305.A N GLN 302.A O no hydrogen 2.854 N/A HIS 306.A N LEU 301.A O no hydrogen 2.853 N/A LEU 307.A N LEU 301.A O no hydrogen 3.152 N/A