Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s1g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N LEU 152.A O no hydrogen 2.863 N/A THR 5.A N VAL 151.A O no hydrogen 2.778 N/A SER 7.A N LEU 177.A O no hydrogen 2.984 N/A SER 7.A OG GLY 99.A O no hydrogen 2.579 N/A VAL 9.A N ILE 175.A O no hydrogen 2.829 N/A LEU 11.A N GLY 173.A O no hydrogen 2.906 N/A THR 12.A N TYR 20.A O no hydrogen 2.745 N/A ASN 13.A ND2 ASP 16.A OD1 no hydrogen 2.852 N/A TYR 14.A N GLN 18.A O no hydrogen 2.752 N/A ASP 16.A N ASN 13.A OD1 no hydrogen 2.731 N/A THR 17.A N TYR 14.A O no hydrogen 3.023 N/A THR 17.A OG1 TYR 14.A O no hydrogen 3.356 N/A GLN 18.A N TYR 14.A O no hydrogen 3.059 N/A GLN 18.A NE2 LEU 120.A O no hydrogen 2.930 N/A TYR 19.A OH ASN 162.A O no hydrogen 2.795 N/A TYR 20.A N THR 12.A O no hydrogen 3.047 N/A GLY 21.A N VAL 34.A O no hydrogen 2.972 N/A ILE 23.A N PHE 32.A O no hydrogen 3.131 N/A GLY 24.A N THR 97.A O no hydrogen 3.121 N/A ILE 25.A N GLN 30.A O no hydrogen 2.751 N/A GLY 26.A N ILE 95.A O no hydrogen 2.893 N/A THR 27.A N SER 68.A OG no hydrogen 3.084 N/A THR 27.A OG1 SER 70.A OG no hydrogen 2.716 N/A GLN 30.A N ILE 25.A O no hydrogen 2.856 N/A GLN 30.A NE2 ASP 64.A O no hydrogen 2.877 N/A PHE 32.A N ILE 23.A O no hydrogen 2.990 N/A LYS 33.A N ASP 124.A OD2 no hydrogen 2.870 N/A VAL 34.A N GLY 21.A O no hydrogen 2.765 N/A VAL 35.A N GLY 125.A O no hydrogen 3.150 N/A ASP 37.A N VAL 127.A O no hydrogen 2.856 N/A THR 38.A N THR 226.A OG1 no hydrogen 2.834 N/A THR 38.A OG1 VAL 224.A O no hydrogen 2.682 N/A THR 38.A OG1 THR 226.A OG1 no hydrogen 3.395 N/A GLY 39.A N ASP 37.A OD1 no hydrogen 2.997 N/A SER 40.A N ASP 37.A O no hydrogen 3.445 N/A SER 40.A OG ASP 37.A OD2 no hydrogen 2.653 N/A SER 41.A OG PHE 131.A O no hydrogen 2.751 N/A ASN 42.A ND2 ILE 136.A O no hydrogen 3.086 N/A TRP 44.A N VAL 126.A O no hydrogen 2.956 N/A VAL 45.A N GLY 108.A O no hydrogen 3.068 N/A SER 47.A N VAL 110.A O no hydrogen 2.870 N/A SER 47.A OG GLU 109.A OE1 no hydrogen 2.730 N/A SER 48.A N PHE 63.A O no hydrogen 2.806 N/A SER 48.A OG PHE 63.A O no hydrogen 3.241 N/A LYS 49.A N SER 47.A OG no hydrogen 3.004 N/A CYS 50.A N SER 47.A O no hydrogen 2.955 N/A CYS 50.A SG SER 51.A O no hydrogen 3.638 N/A CYS 50.A SG THR 111.A O no hydrogen 3.430 N/A ARG 52.A NH1 SER 48.A O no hydrogen 2.814 N/A ARG 52.A NH1 CYS 50.A O no hydrogen 2.711 N/A ARG 52.A NH2 SER 48.A O no hydrogen 3.323 N/A LEU 53.A N SER 51.A OG no hydrogen 3.050 N/A TYR 54.A N SER 51.A O no hydrogen 2.960 N/A CYS 57.A N TYR 54.A O no hydrogen 3.042 N/A VAL 58.A N THR 55.A O no hydrogen 2.928 N/A TYR 59.A N THR 55.A O no hydrogen 3.399 N/A HIS 60.A ND1 ALA 56.A O no hydrogen 2.697 N/A HIS 60.A NE2 ALA 121.A O no hydrogen 2.788 N/A LYS 61.A N ASP 124.A OD1 no hydrogen 3.089 N/A LYS 61.A NZ THR 31.A O no hydrogen 2.892 N/A LYS 61.A NZ THR 31.A OG1 no hydrogen 3.204 N/A PHE 63.A N PRO 46.A O no hydrogen 2.764 N/A ASP 64.A N GLN 30.A OE1 no hydrogen 2.905 N/A SER 66.A N ASP 64.A OD1 no hydrogen 3.143 N/A ASP 67.A N ASP 64.A O no hydrogen 3.128 N/A SER 68.A N ALA 65.A O no hydrogen 3.030 N/A SER 68.A OG ASP 94.A OD1 no hydrogen 3.460 N/A SER 68.A OG ASP 94.A OD2 no hydrogen 2.667 N/A SER 69.A N THR 27.A O no hydrogen 3.069 N/A SER 70.A OG THR 27.A OG1 no hydrogen 2.716 N/A SER 70.A OG SER 68.A OG no hydrogen 3.325 N/A SER 70.A OG ASP 94.A OD1 no hydrogen 2.656 N/A LYS 72.A N GLN 93.A O no hydrogen 2.804 N/A GLY 75.A N LEU 91.A O no hydrogen 2.820 N/A THR 76.A N ASN 74.A OD1 no hydrogen 3.138 N/A THR 76.A OG1 ASN 74.A OD1 no hydrogen 2.721 N/A LEU 78.A N GLY 89.A O no hydrogen 2.848 N/A LEU 80.A N VAL 87.A O no hydrogen 2.825 N/A TYR 82.A N GLY 85.A O no hydrogen 2.783 N/A GLY 85.A N TYR 82.A O no hydrogen 3.068 N/A VAL 87.A N LEU 80.A O no hydrogen 3.015 N/A SER 88.A N GLU 112.A O no hydrogen 3.217 N/A GLY 89.A N LEU 78.A O no hydrogen 2.849 N/A PHE 90.A N GLU 109.A O no hydrogen 3.074 N/A LEU 91.A N THR 76.A O no hydrogen 2.865 N/A SER 92.A N PHE 107.A O no hydrogen 2.873 N/A SER 92.A OG GLU 109.A OE2 no hydrogen 2.686 N/A GLN 93.A N LYS 72.A O no hydrogen 3.016 N/A ASP 94.A N GLN 105.A O no hydrogen 3.147 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 2.741 N/A ILE 96.A N VAL 103.A O no hydrogen 2.768 N/A THR 97.A N GLY 24.A O no hydrogen 2.863 N/A VAL 98.A N ILE 101.A O no hydrogen 2.887 N/A ILE 101.A N VAL 98.A O no hydrogen 2.977 N/A VAL 103.A N ILE 96.A O no hydrogen 2.850 N/A GLN 105.A N ASP 94.A O no hydrogen 2.821 N/A GLN 105.A NE2 MET 106.A O no hydrogen 3.053 N/A GLN 105.A NE2 THR 140.A O no hydrogen 2.862 N/A PHE 107.A N SER 92.A O no hydrogen 2.772 N/A GLY 108.A N VAL 43.A O no hydrogen 2.797 N/A GLU 109.A N PHE 90.A O no hydrogen 2.766 N/A VAL 110.A N VAL 45.A O no hydrogen 3.013 N/A THR 111.A N SER 88.A O no hydrogen 2.900 N/A THR 111.A OG1 SER 88.A O no hydrogen 3.537 N/A GLU 112.A N SER 88.A O no hydrogen 2.966 N/A PHE 118.A N PRO 114.A O no hydrogen 3.231 N/A MET 119.A N ALA 115.A O no hydrogen 2.777 N/A LEU 120.A N PRO 117.A O no hydrogen 3.015 N/A ALA 121.A N PHE 118.A O no hydrogen 3.271 N/A GLU 122.A N GLN 18.A OE1 no hydrogen 2.736 N/A ASP 124.A N LYS 33.A O no hydrogen 2.749 N/A GLY 125.A N LYS 33.A O no hydrogen 3.096 N/A VAL 126.A N TRP 44.A O no hydrogen 2.921 N/A VAL 127.A N VAL 35.A O no hydrogen 2.786 N/A GLY 128.A N ASN 42.A O no hydrogen 2.959 N/A MET 129.A N ASP 37.A O no hydrogen 2.701 N/A GLY 130.A N SER 40.A O no hydrogen 2.803 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.819 N/A GLN 134.A N PHE 131.A O no hydrogen 3.075 N/A GLN 134.A NE2 THR 308.A OG1 no hydrogen 3.221 N/A ALA 135.A N ILE 132.A O no hydrogen 2.955 N/A ILE 136.A N ASN 42.A OD1 no hydrogen 2.952 N/A ARG 138.A N ALA 135.A O no hydrogen 3.355 N/A ASN 145.A N PRO 141.A O no hydrogen 3.254 N/A ASN 145.A ND2 GLN 105.A OE1 no hydrogen 2.750 N/A ILE 146.A N ILE 142.A O no hydrogen 2.953 N/A ILE 147.A N PHE 143.A O no hydrogen 2.857 N/A SER 148.A N ASP 144.A O no hydrogen 3.045 N/A SER 148.A OG ASP 144.A O no hydrogen 3.136 N/A GLN 149.A N ILE 146.A O no hydrogen 3.060 N/A GLN 149.A NE2 THR 102.A O no hydrogen 2.820 N/A GLY 150.A N ILE 147.A O no hydrogen 2.808 N/A LYS 153.A N THR 5.A O no hydrogen 2.814 N/A GLU 154.A N GLY 178.A O no hydrogen 3.234 N/A PHE 157.A N PHE 326.A O no hydrogen 3.103 N/A SER 158.A N VAL 176.A O no hydrogen 2.780 N/A SER 158.A OG GLY 179.A O no hydrogen 2.693 N/A SER 158.A OG SER 180.A OG no hydrogen 2.545 N/A PHE 159.A N THR 324.A O no hydrogen 2.808 N/A TYR 160.A N GLN 174.A O no hydrogen 2.825 N/A TYR 161.A OH THR 226.A O no hydrogen 2.748 N/A ASN 162.A N GLY 172.A O no hydrogen 2.989 N/A ASN 162.A ND2 LEU 171.A O no hydrogen 2.763 N/A ARG 163.A N ASN 162.A OD1 no hydrogen 2.768 N/A SER 165.A OG ASN 167.A O no hydrogen 3.501 N/A ASN 167.A N SER 165.A OG no hydrogen 2.902 N/A SER 170.A N ASN 167.A O no hydrogen 3.360 N/A GLN 174.A N TYR 160.A O no hydrogen 2.794 N/A GLN 174.A NE2 ASP 181.A OD2 no hydrogen 3.281 N/A ILE 175.A N VAL 9.A O no hydrogen 2.965 N/A VAL 176.A N SER 158.A O no hydrogen 2.841 N/A LEU 177.A N SER 7.A O no hydrogen 2.708 N/A GLY 178.A N VAL 156.A O no hydrogen 2.757 N/A SER 180.A OG SER 158.A OG no hydrogen 2.545 N/A SER 180.A OG GLU 325.A OE2 no hydrogen 2.821 N/A ASP 181.A N TYR 323.A OH no hydrogen 2.876 N/A GLN 183.A N ASP 181.A OD1 no hydrogen 3.089 N/A HIS 184.A N ASP 181.A O no hydrogen 2.932 N/A HIS 184.A ND1 ARG 339.A OXT no hydrogen 3.176 N/A GLU 186.A N LEU 337.A O no hydrogen 2.977 N/A HIS 190.A N PHE 335.A O no hydrogen 3.119 N/A TYR 191.A OH GLU 325.A OE1 no hydrogen 2.917 N/A ILE 192.A N ILE 333.A O no hydrogen 2.924 N/A LEU 194.A N ASN 331.A O no hydrogen 2.872 N/A ILE 195.A N GLN 201.A O no hydrogen 3.159 N/A TRP 200.A NE1 MET 129.A O no hydrogen 3.067 N/A GLN 201.A NE2 THR 308.A O no hydrogen 2.957 N/A GLN 201.A NE2 THR 311.A OG1 no hydrogen 2.916 N/A ILE 202.A N ALA 222.A O no hydrogen 2.849 N/A GLN 203.A NE2 MET 204.A O no hydrogen 3.501 N/A MET 204.A N CYS 220.A O no hydrogen 2.783 N/A LYS 205.A N HIS 270.A O no hydrogen 2.918 N/A LYS 205.A NZ GLY 272.A O no hydrogen 2.835 N/A VAL 207.A N LEU 215.A O no hydrogen 3.068 N/A SER 208.A N SER 268.A O no hydrogen 2.842 N/A VAL 209.A N THR 213.A O no hydrogen 3.023 N/A GLY 210.A N ASP 266.A O no hydrogen 2.915 N/A THR 213.A N VAL 209.A O no hydrogen 3.260 N/A LEU 215.A N VAL 207.A O no hydrogen 2.886 N/A CYS 216.A SG MET 204.A O no hydrogen 3.449 N/A CYS 216.A SG CYS 216.A O no hydrogen 2.936 N/A GLY 219.A N CYS 216.A O no hydrogen 3.022 N/A CYS 220.A N MET 204.A O no hydrogen 2.839 N/A CYS 220.A SG MET 204.A O no hydrogen 3.990 N/A ALA 222.A N ILE 202.A O no hydrogen 2.830 N/A LEU 223.A N TRP 312.A O no hydrogen 2.890 N/A VAL 224.A N TRP 200.A O no hydrogen 2.909 N/A ASP 225.A N LEU 314.A O no hydrogen 2.963 N/A THR 226.A N THR 38.A OG1 no hydrogen 3.022 N/A THR 226.A OG1 PHE 36.A O no hydrogen 2.728 N/A THR 226.A OG1 THR 38.A OG1 no hydrogen 3.395 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 3.045 N/A ALA 228.A N ASP 225.A O no hydrogen 3.227 N/A SER 229.A OG THR 17.A O no hydrogen 2.676 N/A ILE 231.A N ALA 298.A O no hydrogen 3.146 N/A SER 232.A N ALA 313.A O no hydrogen 2.846 N/A GLY 233.A N HIS 300.A O no hydrogen 3.329 N/A SER 234.A OG SER 236.A OG no hydrogen 3.241 N/A SER 234.A OG SER 237.A OG no hydrogen 2.912 N/A THR 235.A N ASP 303.A OD1 no hydrogen 2.978 N/A THR 235.A OG1 ASP 303.A OD1 no hydrogen 3.453 N/A THR 235.A OG1 ASP 303.A OD2 no hydrogen 2.608 N/A SER 236.A OG SER 234.A OG no hydrogen 3.241 N/A SER 237.A N SER 234.A OG no hydrogen 3.163 N/A SER 237.A OG SER 234.A OG no hydrogen 2.912 N/A ILE 238.A N SER 234.A O no hydrogen 2.997 N/A GLU 239.A N THR 235.A O no hydrogen 3.019 N/A LYS 240.A N SER 236.A O no hydrogen 3.351 N/A LEU 241.A N SER 237.A O no hydrogen 2.929 N/A MET 242.A N ILE 238.A O no hydrogen 2.788 N/A GLU 243.A N GLU 239.A O no hydrogen 3.074 N/A ALA 244.A N LYS 240.A O no hydrogen 3.092 N/A LEU 245.A N LEU 241.A O no hydrogen 3.129 N/A GLY 246.A N MET 242.A O no hydrogen 2.930 N/A GLY 246.A N GLU 243.A O no hydrogen 3.208 N/A ALA 247.A N MET 242.A O no hydrogen 2.925 N/A LYS 248.A N VAL 255.A O no hydrogen 2.982 N/A LYS 249.A NZ ARG 250.A O no hydrogen 3.171 N/A ARG 250.A N ASP 253.A O no hydrogen 2.947 N/A ARG 250.A NE ASP 253.A OD1 no hydrogen 2.855 N/A ARG 250.A NH2 ASP 253.A OD1 no hydrogen 3.112 N/A ARG 250.A NH2 ASP 253.A OD2 no hydrogen 2.881 N/A VAL 255.A N LYS 248.A O no hydrogen 2.919 N/A VAL 256.A N CYS 295.A O no hydrogen 3.010 N/A CYS 258.A N LYS 293.A O no hydrogen 2.945 N/A ASN 259.A N SER 290.A O no hydrogen 3.298 N/A GLU 260.A N LYS 257.A O no hydrogen 2.822 N/A GLY 261.A N LYS 257.A O no hydrogen 3.309 N/A GLY 261.A N CYS 258.A O no hydrogen 3.099 N/A THR 263.A N GLU 260.A O no hydrogen 3.035 N/A THR 263.A OG1 GLU 260.A O no hydrogen 2.832 N/A LEU 264.A N GLY 261.A O no hydrogen 3.464 N/A ILE 267.A N LEU 278.A O no hydrogen 2.833 N/A SER 268.A N SER 208.A O no hydrogen 2.809 N/A SER 268.A OG THR 277.A OG1 no hydrogen 2.703 N/A PHE 269.A N TYR 276.A O no hydrogen 2.853 N/A HIS 270.A N GLY 206.A O no hydrogen 2.990 N/A HIS 270.A ND1 GLU 275.A OE1 no hydrogen 2.868 N/A LEU 271.A N LYS 274.A O no hydrogen 2.966 N/A LYS 274.A N LEU 271.A O no hydrogen 3.121 N/A TYR 276.A N PHE 269.A O no hydrogen 2.793 N/A THR 277.A OG1 SER 268.A OG no hydrogen 2.703 N/A LEU 278.A N ILE 267.A O no hydrogen 2.781 N/A THR 279.A N ASP 282.A OD2 no hydrogen 2.828 N/A THR 279.A OG1 ASP 282.A OD2 no hydrogen 3.229 N/A SER 280.A OG GLY 261.A O no hydrogen 3.404 N/A SER 280.A OG PRO 262.A O no hydrogen 3.492 N/A ASP 282.A N THR 279.A O no hydrogen 2.891 N/A TYR 283.A N SER 280.A O no hydrogen 3.130 N/A TYR 283.A OH PRO 265.A O no hydrogen 2.676 N/A VAL 284.A N SER 280.A O no hydrogen 2.777 N/A PHE 285.A N THR 296.A O no hydrogen 2.909 N/A GLN 286.A NE2 CYS 258.A O no hydrogen 2.807 N/A GLN 286.A NE2 SER 288.A O no hydrogen 2.773 N/A GLU 287.A N PHE 285.A O no hydrogen 2.922 N/A SER 290.A N SER 288.A OG no hydrogen 2.932 N/A LYS 292.A N SER 290.A OG no hydrogen 2.939 N/A LYS 293.A N SER 290.A O no hydrogen 3.449 N/A CYS 295.A N VAL 256.A O no hydrogen 2.766 N/A CYS 295.A SG PHE 285.A O no hydrogen 3.533 N/A CYS 295.A SG SER 288.A O no hydrogen 3.835 N/A THR 296.A OG1 ASP 253.A OD2 no hydrogen 3.500 N/A LEU 297.A N TYR 254.A O no hydrogen 3.059 N/A ALA 298.A N TYR 283.A O no hydrogen 2.760 N/A HIS 300.A N ILE 231.A O no hydrogen 3.081 N/A MET 302.A N GLY 233.A O no hydrogen 2.925 N/A GLY 309.A N PRO 305.A O no hydrogen 3.005 N/A THR 311.A OG1 TRP 312.A O no hydrogen 2.786 N/A TRP 312.A N LEU 221.A O no hydrogen 2.908 N/A ALA 313.A N SER 232.A O no hydrogen 2.801 N/A LEU 314.A N LEU 223.A O no hydrogen 2.732 N/A ALA 316.A N ALA 228.A O no hydrogen 2.924 N/A THR 317.A N SER 229.A O no hydrogen 3.314 N/A THR 317.A OG1 SER 229.A O no hydrogen 3.330 N/A THR 317.A OG1 ALA 298.A O no hydrogen 2.853 N/A PHE 318.A N GLY 315.A O no hydrogen 2.983 N/A ILE 319.A N GLY 315.A O no hydrogen 3.175 N/A ARG 320.A N ALA 316.A O no hydrogen 2.889 N/A ARG 320.A NH1 ASP 16.A O no hydrogen 2.807 N/A ARG 320.A NH1 TYR 19.A OH no hydrogen 3.009 N/A LYS 321.A N PHE 318.A O no hydrogen 3.125 N/A LYS 321.A NZ ASP 282.A OD2 no hydrogen 2.815 N/A PHE 322.A N PHE 318.A O no hydrogen 3.040 N/A THR 324.A N PHE 159.A O no hydrogen 3.151 N/A THR 324.A OG1 PHE 322.A O no hydrogen 2.896 N/A GLU 325.A N GLY 334.A O no hydrogen 2.838 N/A PHE 326.A N PHE 157.A O no hydrogen 2.786 N/A ASP 327.A N ARG 332.A O no hydrogen 2.852 N/A ARG 328.A N ASP 155.A O no hydrogen 2.931 N/A ARG 328.A NH1 ASP 144.A OD1 no hydrogen 3.050 N/A ARG 328.A NH2 ASP 144.A OD2 no hydrogen 3.340 N/A ARG 329.A N ASP 155.A O no hydrogen 3.337 N/A ASN 330.A N ASP 327.A OD1 no hydrogen 2.973 N/A ASN 330.A ND2 ASP 327.A OD2 no hydrogen 2.880 N/A ASN 331.A N ARG 328.A O no hydrogen 3.406 N/A ARG 332.A N ASP 327.A O no hydrogen 3.103 N/A ARG 332.A NE ASP 327.A OD2 no hydrogen 3.013 N/A ILE 333.A N ILE 192.A O no hydrogen 2.944 N/A GLY 334.A N GLU 325.A O no hydrogen 2.860 N/A PHE 335.A N HIS 190.A O no hydrogen 3.027 N/A ALA 336.A N TYR 323.A O no hydrogen 3.060 N/A ALA 338.A N LYS 321.A O no hydrogen 3.010 N/A ARG 339.A N HIS 184.A O no hydrogen 2.962 N/A ARG 339.A NE GLN 183.A O no hydrogen 3.503 N/A ARG 339.A NH2 PRO 182.A O no hydrogen 3.006 N/A