Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s1r_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 GLU 48.A OE2 no hydrogen 2.973 N/A ALA 5.A N VAL 338.A O no hydrogen 3.148 N/A LEU 9.A N GLN 60.A OE1 no hydrogen 3.069 N/A PHE 10.A N CYS 102.A O no hydrogen 3.120 N/A CYS 11.A SG ALA 30.A O no hydrogen 3.050 N/A ALA 12.A N HIS 100.A O no hydrogen 2.957 N/A SER 13.A N VAL 32.A O no hydrogen 2.890 N/A ALA 15.A N SER 13.A OG no hydrogen 3.233 N/A GLU 19.A N LYS 16.A O no hydrogen 3.169 N/A GLU 21.A N GLU 19.A OE1 no hydrogen 3.026 N/A VAL 22.A N SER 93.A O no hydrogen 2.987 N/A HIS 23.A N GLU 21.A OE2 no hydrogen 2.936 N/A HIS 23.A ND1 GLU 21.A OE2 no hydrogen 2.764 N/A ASN 24.A N GLU 21.A OE1 no hydrogen 2.850 N/A VAL 25.A N GLU 21.A O no hydrogen 3.023 N/A TRP 26.A N VAL 22.A O no hydrogen 3.128 N/A ALA 27.A N HIS 23.A O no hydrogen 3.026 N/A THR 28.A N ASN 24.A O no hydrogen 2.903 N/A THR 28.A OG1 ASN 24.A O no hydrogen 3.227 N/A THR 28.A OG1 VAL 25.A O no hydrogen 2.478 N/A HIS 29.A N TRP 26.A O no hydrogen 3.287 N/A ALA 30.A N TRP 26.A O no hydrogen 3.005 N/A CYS 31.A N ALA 27.A O no hydrogen 2.860 N/A VAL 32.A N CYS 11.A O no hydrogen 2.898 N/A THR 34.A OG1 ASP 14.A OD1 no hydrogen 2.710 N/A ASN 37.A N ASP 35.A OD1 no hydrogen 2.676 N/A ILE 41.A N SER 128.A O no hydrogen 3.172 N/A HIS 42.A ND1 ASN 125.A OD1 no hydrogen 2.772 N/A LEU 43.A N VAL 126.A O no hydrogen 2.844 N/A GLU 48.A N CYS 123.A O no hydrogen 3.016 N/A PHE 50.A N GLY 121.A O no hydrogen 2.916 N/A MET 52.A N GLY 119.A O no hydrogen 3.082 N/A TRP 53.A N ASN 51.A OD1 no hydrogen 3.073 N/A LYS 54.A N ASN 51.A O no hydrogen 2.990 N/A LYS 54.A NZ ASN 56.A OD1 no hydrogen 2.985 N/A ASN 56.A ND2 ASP 6.A OD2 no hydrogen 2.204 N/A MET 57.A N ASN 55.A OD1 no hydrogen 3.393 N/A VAL 58.A N ASN 55.A O no hydrogen 2.896 N/A GLN 60.A N ASN 56.A O no hydrogen 3.063 N/A GLN 60.A NE2 LEU 9.A O no hydrogen 3.009 N/A MET 61.A N MET 57.A O no hydrogen 3.068 N/A GLN 62.A N VAL 58.A O no hydrogen 3.149 N/A GLU 63.A N GLU 59.A O no hydrogen 3.171 N/A ASP 64.A N GLN 60.A O no hydrogen 3.055 N/A VAL 65.A N MET 61.A O no hydrogen 2.909 N/A ILE 66.A N GLN 62.A O no hydrogen 3.074 N/A SER 67.A N GLU 63.A O no hydrogen 3.110 N/A SER 67.A OG GLN 71.A OE1 no hydrogen 2.750 N/A LEU 68.A N ASP 64.A O no hydrogen 2.958 N/A TRP 69.A N VAL 65.A O no hydrogen 2.967 N/A ASP 70.A N ILE 66.A O no hydrogen 2.866 N/A GLN 71.A N SER 67.A O no hydrogen 3.161 N/A SER 72.A N LEU 68.A O no hydrogen 3.149 N/A SER 72.A OG LEU 68.A O no hydrogen 2.567 N/A GLN 74.A N SER 72.A O no hydrogen 2.370 N/A GLN 74.A NE2 ASP 70.A O no hydrogen 3.447 N/A CYS 76.A N MET 284.A O no hydrogen 2.584 N/A VAL 77.A N MET 284.A O no hydrogen 3.236 N/A LYS 78.A N ILE 85.A O no hydrogen 2.724 N/A LEU 79.A N GLN 282.A O no hydrogen 2.850 N/A THR 80.A N SER 83.A O no hydrogen 3.258 N/A SER 83.A N THR 80.A O no hydrogen 3.107 N/A SER 83.A OG THR 80.A O no hydrogen 2.757 N/A ILE 85.A N LYS 78.A O no hydrogen 2.986 N/A GLN 87.A N CYS 76.A O no hydrogen 3.067 N/A ASP 95.A N GLU 21.A OE2 no hydrogen 2.702 N/A ILE 99.A N ILE 135.A O no hydrogen 2.643 N/A HIS 100.A N ALA 12.A O no hydrogen 2.893 N/A HIS 100.A ND1 THR 132.A O no hydrogen 2.740 N/A TYR 101.A N THR 132.A OG1 no hydrogen 3.000 N/A TYR 101.A OH ASP 64.A OD2 no hydrogen 3.004 N/A CYS 102.A N PHE 10.A O no hydrogen 2.900 N/A THR 103.A N GLN 130.A O no hydrogen 3.178 N/A THR 103.A OG1 TYR 107.A O no hydrogen 3.507 N/A TYR 107.A N PRO 104.A O no hydrogen 3.232 N/A VAL 108.A N VAL 339.A O no hydrogen 3.236 N/A ILE 109.A N VAL 129.A O no hydrogen 3.084 N/A LEU 110.A N LYS 337.A O no hydrogen 2.950 N/A LYS 111.A N SER 127.A O no hydrogen 2.760 N/A CYS 112.A N LYS 335.A O no hydrogen 2.877 N/A ASN 113.A N ASN 125.A O no hydrogen 2.830 N/A ASN 113.A ND2 ASN 125.A O no hydrogen 3.026 N/A ASN 113.A ND2 SER 127.A OG no hydrogen 3.138 N/A PHE 117.A N ASP 114.A O no hydrogen 3.147 N/A THR 120.A N ASN 118.A OD1 no hydrogen 2.801 N/A THR 120.A OG1 ASN 118.A OD1 no hydrogen 3.182 N/A GLY 121.A N PHE 50.A O no hydrogen 3.005 N/A CYS 123.A N GLU 48.A O no hydrogen 2.586 N/A CYS 123.A SG ASN 125.A O no hydrogen 3.720 N/A LYS 124.A N ASP 114.A OD2 no hydrogen 3.081 N/A ASN 125.A N ASP 114.A OD1 no hydrogen 3.036 N/A SER 127.A N LYS 111.A O no hydrogen 3.041 N/A SER 127.A OG GLU 40.A OE2 no hydrogen 2.695 N/A SER 128.A N ILE 41.A O no hydrogen 2.978 N/A VAL 129.A N ILE 109.A O no hydrogen 2.865 N/A THR 132.A N TYR 101.A O no hydrogen 2.898 N/A THR 132.A OG1 HIS 133.A O no hydrogen 3.070 N/A HIS 133.A N TYR 336.A OH no hydrogen 3.361 N/A HIS 133.A ND1 TYR 336.A OH no hydrogen 2.859 N/A HIS 133.A NE2 GLU 332.A OE1 no hydrogen 2.866 N/A ILE 135.A N ILE 99.A O no hydrogen 2.941 N/A VAL 138.A N LYS 136.A O no hydrogen 2.853 N/A SER 140.A OG LEU 143.A O no hydrogen 2.810 N/A THR 141.A N HIS 235.A O no hydrogen 3.014 N/A THR 141.A OG1 GLU 230.A O no hydrogen 2.733 N/A THR 141.A OG1 MET 233.A O no hydrogen 2.953 N/A GLN 142.A N GLY 321.A O no hydrogen 3.125 N/A GLN 142.A NE2 ILE 231.A O no hydrogen 2.856 N/A LEU 143.A N THR 141.A O no hydrogen 2.627 N/A LEU 144.A N GLY 301.A O no hydrogen 2.915 N/A ASN 146.A N ASN 298.A O no hydrogen 2.732 N/A GLY 147.A N THR 300.A OG1 no hydrogen 3.159 N/A SER 148.A N GLU 332.A OE2 no hydrogen 2.949 N/A SER 148.A OG GLU 332.A OE1 no hydrogen 2.941 N/A SER 148.A OG GLU 332.A OE2 no hydrogen 2.993 N/A ALA 150.A N LEU 172.A O no hydrogen 2.847 N/A ILE 155.A N HIS 171.A O no hydrogen 2.926 N/A ARG 157.A N ILE 169.A O no hydrogen 2.682 N/A ARG 157.A NH1 HIS 171.A ND1 no hydrogen 2.994 N/A ARG 157.A NH2 PHE 117.A O no hydrogen 2.827 N/A ASN 160.A N SER 158.A OG no hydrogen 3.249 N/A ASN 163.A N ASN 160.A O no hydrogen 2.731 N/A ALA 165.A N ASN 163.A OD1 no hydrogen 3.046 N/A LYS 166.A N ASN 163.A O no hydrogen 3.164 N/A LYS 166.A NZ GLU 159.A OE1 no hydrogen 3.388 N/A ILE 168.A N LEU 304.A O no hydrogen 2.834 N/A ILE 169.A N ARG 157.A O no hydrogen 2.746 N/A VAL 170.A N ILE 302.A O no hydrogen 2.733 N/A HIS 171.A N ILE 155.A O no hydrogen 2.611 N/A HIS 171.A NE2 SER 148.A O no hydrogen 2.696 N/A LEU 172.A N THR 300.A O no hydrogen 3.154 N/A ASN 173.A ND2 GLU 152.A O no hydrogen 2.601 N/A VAL 176.A N ILE 299.A O no hydrogen 3.264 N/A ILE 178.A N SER 297.A O no hydrogen 2.776 N/A ASN 179.A N GLU 193.A O no hydrogen 2.962 N/A CYS 180.A N CYS 295.A O no hydrogen 3.258 N/A THR 181.A N TYR 191.A O no hydrogen 2.872 N/A THR 181.A OG1 ASN 294.A OD1 no hydrogen 3.476 N/A ARG 182.A N ILE 293.A O no hydrogen 2.806 N/A ARG 182.A NE ARG 182.A O no hydrogen 2.987 N/A ARG 182.A NE GLY 291.A O no hydrogen 2.983 N/A ARG 182.A NH1 ILE 187.A O no hydrogen 2.716 N/A ARG 182.A NH1 ILE 289.A O no hydrogen 3.329 N/A ARG 182.A NH2 ILE 289.A O no hydrogen 2.476 N/A ARG 182.A NH2 GLY 291.A O no hydrogen 2.564 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 2.852 N/A LYS 189.A N ASP 186.A O no hydrogen 3.231 N/A ALA 190.A N CYS 268.A O no hydrogen 3.481 N/A TYR 191.A N THR 181.A O no hydrogen 3.229 N/A CYS 192.A N LEU 266.A O no hydrogen 2.910 N/A GLU 193.A N ASN 179.A O no hydrogen 2.722 N/A ILE 194.A N ILE 264.A O no hydrogen 2.831 N/A GLY 196.A N GLY 262.A O no hydrogen 2.806 N/A THR 197.A OG1 ASN 261.A O no hydrogen 3.285 N/A LYS 198.A N ASN 195.A OD1 no hydrogen 3.235 N/A TRP 199.A N ASN 195.A O no hydrogen 2.921 N/A TRP 199.A NE1 LEU 250.A O no hydrogen 2.745 N/A ASN 200.A N GLY 196.A O no hydrogen 2.870 N/A LYS 201.A N THR 197.A O no hydrogen 3.240 N/A VAL 202.A N LYS 198.A O no hydrogen 2.999 N/A LEU 203.A N TRP 199.A O no hydrogen 2.888 N/A LYS 204.A N ASN 200.A O no hydrogen 3.494 N/A GLN 205.A N LYS 201.A O no hydrogen 3.392 N/A VAL 206.A N VAL 202.A O no hydrogen 3.164 N/A THR 207.A N LEU 203.A O no hydrogen 2.955 N/A THR 207.A OG1 LYS 204.A O no hydrogen 2.181 N/A THR 207.A OG1 GLU 208.A OE2 no hydrogen 3.325 N/A GLU 208.A N LYS 204.A O no hydrogen 2.875 N/A LYS 209.A N GLN 205.A O no hydrogen 3.190 N/A LYS 209.A NZ GLU 153.A OE1 no hydrogen 2.620 N/A LEU 210.A N VAL 206.A O no hydrogen 2.939 N/A LYS 211.A N THR 207.A O no hydrogen 2.847 N/A LYS 211.A NZ LYS 217.A O no hydrogen 3.121 N/A GLU 212.A N GLU 208.A O no hydrogen 3.248 N/A HIS 213.A N LEU 210.A O no hydrogen 3.108 N/A HIS 213.A ND1 LYS 209.A O no hydrogen 2.938 N/A PHE 214.A N LEU 210.A O no hydrogen 2.977 N/A ASN 216.A N LYS 211.A O no hydrogen 2.779 N/A LYS 217.A N PHE 214.A O no hydrogen 2.951 N/A LYS 217.A NZ THR 313.A O no hydrogen 2.229 N/A THR 218.A N SER 314.A O no hydrogen 2.833 N/A THR 218.A OG1 SER 314.A O no hydrogen 3.301 N/A ILE 220.A N GLU 316.A O no hydrogen 2.915 N/A PHE 221.A N ASN 253.A OD1 no hydrogen 3.218 N/A GLN 222.A N PHE 318.A O no hydrogen 2.881 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.800 N/A ILE 231.A N ASP 228.A O no hydrogen 2.988 N/A THR 232.A N ASP 228.A O no hydrogen 3.075 N/A THR 232.A OG1 ASP 228.A O no hydrogen 3.451 N/A MET 233.A N LEU 229.A O no hydrogen 3.041 N/A HIS 234.A N CYS 245.A O no hydrogen 2.711 N/A HIS 234.A ND1 THR 141.A O no hydrogen 2.725 N/A HIS 235.A N THR 141.A OG1 no hydrogen 3.032 N/A HIS 235.A ND1 PHE 243.A O no hydrogen 2.795 N/A PHE 236.A N PHE 243.A O no hydrogen 3.196 N/A CYS 238.A N GLU 241.A O no hydrogen 2.772 N/A ARG 239.A NE ASN 294.A O no hydrogen 3.485 N/A GLU 241.A N CYS 238.A O no hydrogen 2.926 N/A PHE 243.A N PHE 236.A O no hydrogen 2.890 N/A TYR 244.A N LYS 269.A O no hydrogen 2.864 N/A TYR 244.A OH GLU 230.A OE2 no hydrogen 2.587 N/A CYS 245.A N HIS 234.A O no hydrogen 2.833 N/A ASN 246.A N PRO 267.A O no hydrogen 3.229 N/A THR 247.A OG1 GLN 142.A OE1 no hydrogen 2.576 N/A THR 248.A N ASN 246.A OD1 no hydrogen 2.932 N/A THR 248.A OG1 ASN 246.A OD1 no hydrogen 2.886 N/A GLN 249.A NE2 THR 265.A O no hydrogen 3.079 N/A LEU 250.A N THR 247.A O no hydrogen 2.918 N/A ASN 253.A ND2 PHE 221.A O no hydrogen 3.094 N/A ILE 256.A N ASN 253.A O no hydrogen 3.521 N/A GLY 262.A N CYS 260.A O no hydrogen 2.406 N/A ILE 264.A N ILE 194.A O no hydrogen 2.851 N/A LEU 266.A N CYS 192.A O no hydrogen 2.804 N/A CYS 268.A N ALA 190.A O no hydrogen 3.194 N/A CYS 268.A SG LEU 266.A O no hydrogen 3.766 N/A LYS 269.A N TYR 244.A O no hydrogen 2.924 N/A ILE 270.A N ARG 188.A O no hydrogen 3.109 N/A LYS 271.A N PHE 242.A O no hydrogen 3.048 N/A LYS 271.A NZ ILE 273.A O no hydrogen 2.741 N/A GLN 272.A NE2 TYR 285.A O no hydrogen 3.474 N/A ILE 274.A N ALA 283.A O no hydrogen 3.043 N/A ASN 275.A N GLU 230.A OE2 no hydrogen 2.907 N/A ASN 275.A ND2 GLU 230.A OE1 no hydrogen 3.260 N/A MET 276.A N GLY 281.A O no hydrogen 3.159 N/A GLN 278.A N GLN 278.A OE1 no hydrogen 2.751 N/A GLY 279.A N MET 276.A O no hydrogen 2.888 N/A GLN 282.A N LEU 79.A O no hydrogen 2.878 N/A ALA 283.A N ILE 274.A O no hydrogen 2.945 N/A MET 284.A N VAL 77.A O no hydrogen 2.850 N/A TYR 285.A N GLN 272.A O no hydrogen 3.115 N/A TYR 285.A OH LEU 73.A O no hydrogen 2.750 N/A ILE 289.A N GLU 241.A OE2 no hydrogen 3.267 N/A ILE 293.A N ARG 182.A O no hydrogen 3.215 N/A CYS 295.A N CYS 180.A O no hydrogen 3.168 N/A SER 297.A N ILE 178.A O no hydrogen 3.035 N/A ASN 298.A N ASN 146.A OD1 no hydrogen 3.083 N/A ILE 299.A N VAL 176.A O no hydrogen 2.779 N/A THR 300.A N LEU 144.A O no hydrogen 2.821 N/A THR 300.A OG1 LEU 144.A O no hydrogen 3.409 N/A ILE 302.A N VAL 170.A O no hydrogen 3.002 N/A LEU 303.A N GLN 142.A O no hydrogen 3.047 N/A LEU 304.A N ILE 168.A O no hydrogen 2.851 N/A THR 305.A N ARG 319.A O no hydrogen 2.823 N/A THR 305.A OG1 ARG 319.A O no hydrogen 3.419 N/A ARG 306.A NH2 LEU 161.A O no hydrogen 2.743 N/A ARG 306.A NH2 THR 162.A O no hydrogen 2.893 N/A ASP 307.A N THR 317.A O no hydrogen 2.938 N/A GLU 316.A N THR 218.A O no hydrogen 2.699 N/A PHE 318.A N ILE 220.A O no hydrogen 2.802 N/A ARG 319.A N THR 305.A O no hydrogen 2.890 N/A ARG 319.A NE ASP 307.A OD1 no hydrogen 2.925 N/A ARG 319.A NE ASP 307.A OD2 no hydrogen 3.160 N/A ARG 319.A NH1 PRO 223.A O no hydrogen 2.815 N/A ARG 319.A NH2 ASP 307.A OD2 no hydrogen 2.922 N/A GLY 321.A N LEU 303.A O no hydrogen 2.969 N/A LYS 326.A N ASN 324.A OD1 no hydrogen 3.195 N/A LYS 326.A NZ GLU 59.A OE1 no hydrogen 2.832 N/A ASP 327.A N ASN 324.A O no hydrogen 2.964 N/A ASN 328.A N ILE 325.A O no hydrogen 3.046 N/A ASN 328.A ND2 VAL 138.A O no hydrogen 3.280 N/A ASN 328.A ND2 SER 140.A O no hydrogen 3.337 N/A TRP 329.A NE1 GLN 62.A OE1 no hydrogen 2.756 N/A ARG 330.A N LYS 326.A O no hydrogen 2.911 N/A ARG 330.A NH1 ASP 327.A OD1 no hydrogen 3.059 N/A SER 331.A N ASP 327.A O no hydrogen 3.044 N/A SER 331.A OG ASN 328.A O no hydrogen 2.557 N/A GLU 332.A N TRP 329.A O no hydrogen 3.113 N/A LEU 333.A N TRP 329.A O no hydrogen 3.006 N/A TYR 336.A N LEU 333.A O no hydrogen 2.928 N/A TYR 336.A OH HIS 133.A ND1 no hydrogen 2.859 N/A LYS 337.A N LEU 110.A O no hydrogen 3.124 N/A LYS 337.A NZ ASP 4.A OD1 no hydrogen 2.888 N/A LYS 337.A NZ GLU 48.A OE1 no hydrogen 2.443 N/A LYS 337.A NZ ASN 49.A O no hydrogen 3.002 N/A VAL 339.A N VAL 108.A O no hydrogen 3.095 N/A GLN 340.A N LYS 3.A O no hydrogen 2.729 N/A ILE 341.A N GLY 106.A O no hydrogen 2.888 N/A