Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rgf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ASP 1.A OD2 no hydrogen 2.795 N/A PHE 7.A N ASP 4.A OD1 no hydrogen 3.081 N/A LYS 8.A N ASP 4.A O no hydrogen 3.055 N/A VAL 9.A N TYR 5.A O no hydrogen 2.969 N/A LYS 10.A N ASP 6.A O no hydrogen 3.047 N/A LYS 10.A NZ GLU 14.A OE2 no hydrogen 2.758 N/A LEU 11.A N PHE 7.A O no hydrogen 3.103 N/A SER 12.A N LYS 8.A O no hydrogen 2.962 N/A SER 12.A OG LYS 8.A O no hydrogen 3.469 N/A SER 12.A OG VAL 9.A O no hydrogen 2.955 N/A SER 13.A N VAL 9.A O no hydrogen 2.968 N/A GLU 14.A N LYS 10.A O no hydrogen 3.082 N/A GLU 19.A N GLU 19.A OE2 no hydrogen 2.758 N/A ASP 20.A N ARG 17.A O no hydrogen 3.209 N/A LEU 21.A N ARG 17.A O no hydrogen 3.311 N/A PHE 22.A N VAL 18.A O no hydrogen 2.890 N/A GLU 23.A N LYS 36.A O no hydrogen 2.883 N/A CYS 27.A SG GLU 25.A O no hydrogen 3.825 N/A VAL 29.A N CYS 27.A O no hydrogen 3.012 N/A TYR 33.A N LEU 48.A O no hydrogen 2.728 N/A LYS 34.A N CYS 27.A O no hydrogen 2.923 N/A ALA 35.A N TYR 46.A O no hydrogen 2.718 N/A LYS 36.A N GLU 23.A O no hydrogen 3.236 N/A LYS 36.A NZ ASP 45.A OD2 no hydrogen 2.620 N/A LYS 38.A N LEU 21.A O no hydrogen 2.932 N/A LYS 38.A NZ GLU 19.A O no hydrogen 2.880 N/A LYS 44.A N ASP 42.A OD1 no hydrogen 2.977 N/A TYR 46.A N ALA 35.A O no hydrogen 2.960 N/A TYR 46.A OH ASP 42.A OD2 no hydrogen 2.555 N/A ALA 47.A N PHE 94.A O no hydrogen 2.782 N/A LEU 48.A N TYR 33.A O no hydrogen 2.813 N/A LYS 49.A N LEU 92.A O no hydrogen 2.880 N/A LYS 49.A NZ MET 164.A O no hydrogen 3.261 N/A GLN 50.A N HIS 31.A O no hydrogen 3.158 N/A ILE 51.A N VAL 90.A O no hydrogen 2.822 N/A GLY 55.A N ARG 88.A O no hydrogen 2.875 N/A SER 57.A OG SER 59.A OG no hydrogen 3.073 N/A SER 59.A OG SER 57.A OG no hydrogen 3.073 N/A ALA 60.A N SER 57.A OG no hydrogen 3.260 N/A CYS 61.A N SER 57.A O no hydrogen 2.763 N/A CYS 61.A SG ILE 56.A O no hydrogen 3.962 N/A CYS 61.A SG SER 57.A O no hydrogen 3.568 N/A ARG 62.A N MET 58.A O no hydrogen 2.969 N/A GLU 63.A N SER 59.A O no hydrogen 2.813 N/A ILE 64.A N ALA 60.A O no hydrogen 2.977 N/A ALA 65.A N CYS 61.A O no hydrogen 2.796 N/A LEU 66.A N ARG 62.A O no hydrogen 2.892 N/A LEU 67.A N GLU 63.A O no hydrogen 3.004 N/A ARG 68.A N ILE 64.A O no hydrogen 3.016 N/A ARG 68.A NH2 ARG 68.A O no hydrogen 3.527 N/A GLU 69.A N LEU 66.A O no hydrogen 2.946 N/A LEU 70.A N LEU 66.A O no hydrogen 2.834 N/A LYS 71.A N TYR 131.A OH no hydrogen 2.935 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.179 N/A ASN 74.A ND2 GLN 124.A OE1 no hydrogen 2.869 N/A ASN 74.A ND2 VAL 159.A O no hydrogen 3.011 N/A VAL 75.A N HIS 72.A O no hydrogen 3.175 N/A ILE 76.A N ILE 161.A O no hydrogen 3.058 N/A GLN 79.A N LEU 93.A O no hydrogen 2.812 N/A PHE 82.A N TRP 91.A O no hydrogen 2.854 N/A SER 84.A N LYS 89.A O no hydrogen 2.858 N/A SER 84.A OG ASP 87.A OD1 no hydrogen 2.550 N/A LYS 89.A N SER 84.A O no hydrogen 3.116 N/A LYS 89.A N ASP 87.A OD1 no hydrogen 3.360 N/A LYS 89.A NZ ILE 51.A O no hydrogen 2.822 N/A LYS 89.A NZ GLY 53.A O no hydrogen 2.895 N/A TRP 91.A N PHE 82.A O no hydrogen 2.906 N/A LEU 92.A N LYS 49.A O no hydrogen 2.815 N/A LEU 93.A N LYS 80.A O no hydrogen 2.850 N/A PHE 94.A N ALA 47.A O no hydrogen 2.945 N/A TYR 96.A N ASP 45.A O no hydrogen 3.083 N/A HIS 99.A N VAL 149.A O no hydrogen 2.951 N/A LEU 101.A N ILE 147.A O no hydrogen 2.822 N/A HIS 103.A N ASP 100.A OD2 no hydrogen 3.041 N/A HIS 103.A ND1 ASP 100.A OD1 no hydrogen 2.594 N/A HIS 103.A ND1 ASP 100.A OD2 no hydrogen 3.176 N/A ILE 104.A N ASP 100.A O no hydrogen 3.127 N/A ILE 105.A N LEU 101.A O no hydrogen 2.918 N/A LYS 106.A N TRP 102.A O no hydrogen 3.060 N/A PHE 107.A N HIS 103.A O no hydrogen 2.938 N/A HIS 108.A N ILE 104.A O no hydrogen 3.209 N/A HIS 108.A NE2 TYR 321.A OH no hydrogen 2.683 N/A ARG 109.A N ILE 105.A O no hydrogen 2.809 N/A ALA 110.A N LYS 106.A O no hydrogen 2.949 N/A SER 111.A N PHE 107.A O no hydrogen 2.883 N/A LYS 112.A N HIS 108.A O no hydrogen 3.176 N/A ARG 115.A NH1 LEU 202.A O no hydrogen 3.154 N/A ARG 115.A NH2 LEU 202.A O no hydrogen 3.173 N/A VAL 118.A N PRO 114.A O no hydrogen 3.114 N/A LYS 119.A N ARG 115.A O no hydrogen 3.077 N/A LYS 119.A NZ TYR 302.A O no hydrogen 2.950 N/A LYS 119.A NZ PRO 307.A O no hydrogen 2.569 N/A SER 120.A N GLY 116.A O no hydrogen 3.097 N/A SER 120.A OG GLY 116.A O no hydrogen 3.017 N/A SER 120.A OG THR 310.A OG1 no hydrogen 3.265 N/A LEU 121.A N MET 117.A O no hydrogen 2.899 N/A LEU 122.A N VAL 118.A O no hydrogen 2.970 N/A TYR 123.A N LYS 119.A O no hydrogen 2.835 N/A GLN 124.A N SER 120.A O no hydrogen 3.130 N/A GLN 124.A NE2 THR 310.A O no hydrogen 2.979 N/A GLN 124.A NE2 SER 311.A O no hydrogen 2.866 N/A ILE 125.A N LEU 121.A O no hydrogen 2.988 N/A LEU 126.A N LEU 122.A O no hydrogen 2.970 N/A ASP 127.A N TYR 123.A O no hydrogen 2.820 N/A GLY 128.A N GLN 124.A O no hydrogen 2.923 N/A ILE 129.A N ILE 125.A O no hydrogen 2.962 N/A HIS 130.A N LEU 126.A O no hydrogen 2.737 N/A TYR 131.A N ASP 127.A O no hydrogen 3.108 N/A LEU 132.A N GLY 128.A O no hydrogen 3.024 N/A HIS 133.A N ILE 129.A O no hydrogen 2.800 N/A HIS 133.A NE2 ASP 190.A OD2 no hydrogen 2.747 N/A ALA 134.A N HIS 130.A O no hydrogen 2.967 N/A ASN 135.A N TYR 131.A O no hydrogen 3.273 N/A ASN 135.A N LEU 132.A O no hydrogen 3.070 N/A ASN 135.A ND2 TYR 131.A O no hydrogen 3.012 N/A TRP 136.A N HIS 133.A O no hydrogen 2.888 N/A VAL 137.A N LEU 132.A O no hydrogen 2.810 N/A HIS 139.A N ASP 190.A OD2 no hydrogen 3.042 N/A HIS 139.A NE2 ALA 162.A O no hydrogen 2.696 N/A ARG 140.A N ASP 190.A OD1 no hydrogen 3.045 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.118 N/A LYS 143.A NZ ASP 141.A OD1 no hydrogen 3.509 N/A LYS 143.A NZ ASP 141.A OD2 no hydrogen 3.223 N/A ASN 146.A N LYS 143.A O no hydrogen 2.935 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.823 N/A ILE 147.A N PRO 144.A O no hydrogen 2.961 N/A LEU 148.A N LYS 160.A O no hydrogen 2.947 N/A VAL 149.A N HIS 99.A O no hydrogen 2.766 N/A MET 150.A N ARG 158.A O no hydrogen 3.063 N/A ARG 156.A N GLY 153.A O no hydrogen 3.381 N/A ARG 156.A NE GLU 152.A OE2 no hydrogen 2.914 N/A ARG 156.A NH1 ASP 312.A OD2 no hydrogen 2.767 N/A ARG 156.A NH2 CYS 317.A O no hydrogen 3.275 N/A GLY 157.A N MET 150.A O no hydrogen 2.919 N/A ARG 158.A N GLU 155.A O no hydrogen 2.975 N/A ARG 158.A NH1 GLU 155.A OE1 no hydrogen 3.153 N/A VAL 159.A N GLN 124.A OE1 no hydrogen 2.889 N/A LYS 160.A N LEU 148.A O no hydrogen 2.835 N/A LYS 160.A NZ PRO 73.A O no hydrogen 2.726 N/A LYS 160.A NZ GLU 155.A OE1 no hydrogen 2.775 N/A LYS 160.A NZ GLU 155.A OE2 no hydrogen 3.557 N/A ILE 161.A N ASN 74.A O no hydrogen 2.768 N/A ALA 162.A N ASN 146.A O no hydrogen 2.992 N/A MET 164.A N ASN 146.A OD1 no hydrogen 2.992 N/A TRP 172.A NE1 CYS 210.A O no hydrogen 2.998 N/A TYR 173.A OH GLU 200.A OE1 no hydrogen 2.702 N/A ARG 174.A N PHE 171.A O no hydrogen 3.295 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.859 N/A LEU 178.A N ALA 175.A O no hydrogen 3.013 N/A LEU 179.A N ALA 175.A O no hydrogen 3.403 N/A LEU 180.A N PRO 176.A O no hydrogen 2.861 N/A GLY 181.A N LEU 178.A O no hydrogen 3.150 N/A ALA 182.A N GLU 177.A O no hydrogen 2.837 N/A LYS 187.A NZ HIS 133.A O no hydrogen 2.952 N/A ILE 189.A N THR 186.A O no hydrogen 3.240 N/A ILE 189.A N THR 186.A OG1 no hydrogen 3.158 N/A ILE 191.A N LYS 187.A O no hydrogen 3.098 N/A TRP 192.A N ALA 188.A O no hydrogen 2.988 N/A ALA 193.A N ILE 189.A O no hydrogen 3.241 N/A ILE 194.A N ASP 190.A O no hydrogen 3.060 N/A GLY 195.A N ILE 191.A O no hydrogen 2.964 N/A CYS 196.A N TRP 192.A O no hydrogen 2.944 N/A CYS 196.A SG TRP 172.A O no hydrogen 3.892 N/A CYS 196.A SG TRP 192.A O no hydrogen 3.327 N/A ILE 197.A N ALA 193.A O no hydrogen 2.918 N/A PHE 198.A N ILE 194.A O no hydrogen 2.831 N/A ALA 199.A N GLY 195.A O no hydrogen 3.032 N/A GLU 200.A N CYS 196.A O no hydrogen 3.104 N/A LEU 201.A N ILE 197.A O no hydrogen 2.814 N/A LEU 202.A N PHE 198.A O no hydrogen 2.956 N/A THR 203.A N ALA 199.A O no hydrogen 2.997 N/A THR 203.A OG1 ALA 199.A O no hydrogen 3.246 N/A SER 204.A N GLU 200.A O no hydrogen 2.619 N/A GLU 205.A N THR 203.A OG1 no hydrogen 3.128 N/A HIS 209.A N PRO 206.A O no hydrogen 3.184 N/A CYS 210.A SG ARG 211.A O no hydrogen 3.425 N/A TYR 215.A OH ASP 250.A OD1 no hydrogen 2.642 N/A HIS 217.A ND1 ASP 218.A OD1 no hydrogen 3.380 N/A GLN 219.A NE2 PHE 208.A O no hydrogen 2.921 N/A GLN 219.A NE2 GLN 219.A O no hydrogen 3.360 N/A LEU 220.A N HIS 216.A O no hydrogen 3.238 N/A ASP 221.A N HIS 217.A O no hydrogen 2.967 N/A ARG 222.A N ASP 218.A O no hydrogen 2.966 N/A ARG 222.A NE ILE 207.A O no hydrogen 3.030 N/A ARG 222.A NH2 ILE 207.A O no hydrogen 2.858 N/A ILE 223.A N GLN 219.A O no hydrogen 2.929 N/A PHE 224.A N LEU 220.A O no hydrogen 2.813 N/A ASN 225.A N ASP 221.A O no hydrogen 2.880 N/A VAL 226.A N ARG 222.A O no hydrogen 3.260 N/A MET 227.A N ILE 223.A O no hydrogen 2.783 N/A GLY 228.A N PHE 224.A O no hydrogen 2.733 N/A ALA 231.A N ASP 234.A OD2 no hydrogen 3.061 N/A ASP 234.A N ALA 231.A O no hydrogen 2.914 N/A TRP 235.A N ALA 231.A O no hydrogen 3.351 N/A ILE 238.A N TRP 235.A O no hydrogen 3.161 N/A LYS 239.A NZ GLU 236.A O no hydrogen 3.036 N/A LYS 240.A N ASP 237.A O no hydrogen 3.045 N/A MET 241.A N ILE 238.A O no hydrogen 3.012 N/A GLU 243.A N LEU 180.A O no hydrogen 3.064 N/A HIS 244.A N MET 241.A O no hydrogen 3.081 N/A THR 246.A OG1 GLU 243.A O no hydrogen 3.358 N/A THR 246.A OG1 GLU 243.A OE1 no hydrogen 2.764 N/A LEU 247.A N GLU 243.A O no hydrogen 2.931 N/A MET 248.A N HIS 244.A O no hydrogen 3.000 N/A LYS 249.A N SER 245.A O no hydrogen 3.009 N/A LYS 249.A NZ ASP 250.A OD2 no hydrogen 2.631 N/A ASP 250.A N THR 246.A O no hydrogen 2.937 N/A PHE 251.A N LEU 247.A O no hydrogen 2.833 N/A ARG 253.A NH1 PHE 229.A O no hydrogen 3.206 N/A ARG 253.A NH2 PRO 230.A O no hydrogen 3.159 N/A THR 255.A N ARG 252.A O no hydrogen 3.076 N/A THR 255.A OG1 ARG 252.A O no hydrogen 3.226 N/A TYR 256.A N ARG 253.A O no hydrogen 2.972 N/A TYR 256.A OH ASP 221.A OD1 no hydrogen 2.506 N/A THR 257.A N ASN 254.A O no hydrogen 3.444 N/A CYS 259.A N TYR 256.A O no hydrogen 3.120 N/A CYS 259.A SG ASN 225.A O no hydrogen 3.313 N/A LYS 263.A N SER 260.A OG no hydrogen 3.176 N/A TYR 264.A N SER 260.A O no hydrogen 2.973 N/A TYR 264.A OH GLU 205.A OE2 no hydrogen 2.528 N/A MET 265.A N LEU 261.A O no hydrogen 2.871 N/A GLU 266.A N ILE 262.A O no hydrogen 2.954 N/A LYS 267.A N LYS 263.A O no hydrogen 3.402 N/A LYS 267.A N TYR 264.A O no hydrogen 3.301 N/A HIS 268.A N MET 265.A O no hydrogen 3.172 N/A LYS 269.A N GLU 266.A O no hydrogen 3.318 N/A VAL 270.A N MET 265.A O no hydrogen 3.019 N/A SER 274.A N LYS 271.A O no hydrogen 3.062 N/A SER 274.A OG LYS 271.A O no hydrogen 2.622 N/A PHE 277.A N SER 274.A OG no hydrogen 3.115 N/A HIS 278.A N SER 274.A O no hydrogen 3.239 N/A LEU 279.A N LYS 275.A O no hydrogen 3.073 N/A LEU 280.A N ALA 276.A O no hydrogen 2.982 N/A GLN 281.A N PHE 277.A O no hydrogen 2.864 N/A LYS 282.A N HIS 278.A O no hydrogen 3.213 N/A LEU 283.A N LEU 279.A O no hydrogen 3.092 N/A LEU 283.A N LEU 280.A O no hydrogen 3.158 N/A LEU 284.A N LEU 280.A O no hydrogen 2.837 N/A THR 285.A OG1 GLN 281.A O no hydrogen 3.170 N/A THR 285.A OG1 LYS 282.A O no hydrogen 3.473 N/A ILE 289.A N ASP 287.A OD1 no hydrogen 3.237 N/A LYS 290.A N ASP 287.A O no hydrogen 3.004 N/A LYS 290.A NZ ASP 234.A O no hydrogen 3.559 N/A ARG 291.A N PRO 288.A O no hydrogen 3.318 N/A ARG 291.A NE THR 285.A O no hydrogen 2.672 N/A ARG 291.A NH1 GLU 177.A OE2 no hydrogen 2.696 N/A ARG 291.A NH1 ALA 188.A O no hydrogen 2.981 N/A ARG 291.A NH2 GLU 177.A OE1 no hydrogen 2.593 N/A ARG 291.A NH2 THR 285.A O no hydrogen 3.368 N/A ARG 291.A NH2 MET 286.A O no hydrogen 2.994 N/A ILE 292.A N LYS 282.A O no hydrogen 3.242 N/A THR 293.A N GLN 296.A OE1 no hydrogen 3.046 N/A SER 294.A OG GLU 295.A OE2 no hydrogen 3.135 N/A GLU 295.A N GLU 295.A OE2 no hydrogen 2.854 N/A GLN 296.A N THR 293.A OG1 no hydrogen 3.171 N/A ALA 297.A N THR 293.A O no hydrogen 2.947 N/A MET 298.A N SER 294.A O no hydrogen 3.071 N/A GLN 299.A N GLU 295.A O no hydrogen 3.285 N/A GLN 299.A N GLN 296.A O no hydrogen 3.160 N/A ASP 300.A N ALA 297.A O no hydrogen 3.029 N/A TYR 302.A N ASP 300.A OD2 no hydrogen 2.832 N/A PHE 303.A N ASP 300.A O no hydrogen 3.060 N/A LEU 304.A N PRO 301.A O no hydrogen 2.924 N/A GLU 305.A N PRO 301.A O no hydrogen 3.090 N/A THR 310.A N SER 120.A OG no hydrogen 2.783 N/A THR 310.A OG1 SER 120.A OG no hydrogen 3.265 N/A THR 310.A OG1 ASP 312.A O no hydrogen 2.695 N/A VAL 313.A N GLY 157.A O no hydrogen 2.860 N/A PHE 314.A N ASP 312.A OD1 no hydrogen 2.859 N/A ALA 315.A N ASP 312.A O no hydrogen 2.737 N/A CYS 317.A SG GLN 318.A O no hydrogen 3.445 N/A TYR 321.A OH HIS 108.A NE2 no hydrogen 2.683 N/A