Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2c1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 3.A OD2 no hydrogen 3.165 N/A LEU 7.A N ASP 3.A O no hydrogen 2.975 N/A ARG 8.A N ASN 4.A O no hydrogen 2.780 N/A ARG 8.A NE PHE 178.A O no hydrogen 2.699 N/A ARG 8.A NH1 ASP 183.A OD1 no hydrogen 3.135 N/A ARG 8.A NH2 PHE 178.A O no hydrogen 2.698 N/A ARG 8.A NH2 ASP 183.A OD1 no hydrogen 2.673 N/A GLU 9.A N GLY 5.A O no hydrogen 2.980 N/A GLU 10.A N ALA 6.A O no hydrogen 2.914 N/A ALA 11.A N LEU 7.A O no hydrogen 2.934 N/A LYS 12.A N ARG 8.A O no hydrogen 2.865 N/A LYS 12.A N GLU 9.A O no hydrogen 3.222 N/A LYS 12.A NZ LEU 179.A O no hydrogen 3.408 N/A GLY 13.A N GLU 10.A O no hydrogen 3.187 N/A VAL 14.A N ALA 11.A O no hydrogen 3.258 N/A PHE 15.A N ALA 11.A O no hydrogen 2.860 N/A ILE 18.A N ASP 176.A OD2 no hydrogen 2.884 N/A ILE 25.A N VAL 31.A O no hydrogen 2.879 N/A LYS 26.A NZ GLU 162.A OE1 no hydrogen 2.611 N/A VAL 31.A N ILE 25.A O no hydrogen 2.654 N/A LEU 33.A N THR 23.A O no hydrogen 3.117 N/A THR 34.A N GLN 163.A OE1 no hydrogen 2.955 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.725 N/A LYS 37.A N THR 34.A OG1 no hydrogen 3.198 N/A ILE 38.A N THR 34.A O no hydrogen 2.991 N/A GLU 39.A N ALA 35.A O no hydrogen 2.884 N/A LEU 40.A N GLU 36.A O no hydrogen 3.101 N/A GLY 41.A N LYS 37.A O no hydrogen 2.935 N/A LYS 42.A N ILE 38.A O no hydrogen 3.028 N/A LYS 42.A NZ ASP 312.A O no hydrogen 2.764 N/A VAL 43.A N GLU 39.A O no hydrogen 3.112 N/A LEU 44.A N LEU 40.A O no hydrogen 2.782 N/A PHE 45.A N GLY 41.A O no hydrogen 2.797 N/A PHE 46.A N LYS 42.A O no hydrogen 3.126 N/A PHE 46.A N VAL 43.A O no hydrogen 3.298 N/A ASP 47.A N LEU 44.A O no hydrogen 3.244 N/A ARG 49.A N ASP 47.A OD1 no hydrogen 2.909 N/A ARG 49.A NE ASP 47.A OD1 no hydrogen 2.863 N/A ARG 49.A NH1 PRO 317.A O no hydrogen 2.879 N/A ARG 49.A NH2 ASP 47.A OD1 no hydrogen 3.527 N/A ARG 49.A NH2 ASP 47.A OD2 no hydrogen 2.786 N/A ARG 49.A NH2 PRO 317.A O no hydrogen 2.762 N/A MET 50.A N ASP 47.A O no hydrogen 3.356 N/A SER 51.A N PRO 48.A O no hydrogen 3.232 N/A SER 51.A OG PRO 48.A O no hydrogen 2.917 N/A SER 51.A OG ILE 56.A O no hydrogen 3.187 N/A GLY 54.A N SER 51.A O no hydrogen 3.158 N/A GLY 54.A N SER 51.A OG no hydrogen 3.024 N/A LEU 55.A N SER 53.A OG no hydrogen 3.115 N/A ILE 56.A N SER 51.A OG no hydrogen 3.208 N/A SER 57.A N THR 60.A OG1 no hydrogen 2.983 N/A SER 57.A OG THR 60.A OG1 no hydrogen 3.384 N/A GLN 59.A N PHE 45.A O no hydrogen 3.054 N/A THR 60.A N SER 57.A O no hydrogen 3.028 N/A THR 60.A N SER 57.A OG no hydrogen 3.275 N/A THR 60.A OG1 SER 57.A O no hydrogen 3.305 N/A THR 60.A OG1 SER 57.A OG no hydrogen 3.384 N/A CYS 61.A N CYS 58.A O no hydrogen 3.143 N/A HIS 62.A N CYS 58.A O no hydrogen 2.922 N/A HIS 62.A ND1 PRO 88.A O no hydrogen 2.960 N/A VAL 64.A N GLN 59.A OE1 no hydrogen 3.016 N/A GLY 65.A N ASN 63.A OD1 no hydrogen 2.854 N/A LEU 66.A N ASN 63.A O no hydrogen 3.048 N/A GLY 68.A N ASN 63.A O no hydrogen 2.859 N/A LEU 72.A N ASP 70.A OD1 no hydrogen 3.008 N/A SER 75.A N ARG 85.A O no hydrogen 2.765 N/A GLY 77.A N GLN 81.A OE1 no hydrogen 2.736 N/A HIS 78.A N GLN 81.A OE1 no hydrogen 3.032 N/A GLN 81.A N HIS 78.A O no hydrogen 3.084 N/A GLN 81.A NE2 SER 75.A O no hydrogen 2.962 N/A GLN 81.A NE2 GLY 83.A O no hydrogen 2.915 N/A ARG 85.A N SER 75.A O no hydrogen 3.067 N/A ARG 85.A NE ASP 102.A OD1 no hydrogen 2.805 N/A ARG 85.A NH1 PRO 84.A O no hydrogen 2.900 N/A ARG 85.A NH2 ASP 102.A OD1 no hydrogen 3.370 N/A ARG 85.A NH2 ASP 102.A OD2 no hydrogen 2.743 N/A ASN 86.A N HIS 266.A O no hydrogen 2.896 N/A ASN 86.A ND2 PRO 73.A O no hydrogen 2.948 N/A THR 89.A OG1 GLY 67.A O no hydrogen 2.550 N/A MET 90.A N GLY 68.A O no hydrogen 3.099 N/A LEU 91.A N THR 89.A OG1 no hydrogen 3.005 N/A ASN 92.A N LEU 168.A O no hydrogen 2.890 N/A ASN 92.A ND2 THR 170.A OG1 no hydrogen 2.935 N/A ALA 93.A N MET 90.A O no hydrogen 3.083 N/A PHE 95.A N ASN 92.A O no hydrogen 3.019 N/A ASN 96.A N ALA 93.A O no hydrogen 3.077 N/A ALA 97.A N GLN 214.A OE1 no hydrogen 3.121 N/A ALA 98.A N GLY 213.A O no hydrogen 3.079 N/A PHE 100.A N TYR 216.A OH no hydrogen 3.387 N/A TRP 101.A NE1 ASN 86.A O no hydrogen 2.639 N/A GLY 103.A N VAL 249.A O no hydrogen 3.054 N/A ALA 105.A N GLU 247.A O no hydrogen 3.043 N/A ASP 107.A N ARG 104.A O no hydrogen 2.826 N/A LEU 108.A N ARG 104.A O no hydrogen 2.951 N/A ALA 109.A N ALA 105.A O no hydrogen 2.986 N/A GLN 111.A NE2 LYS 113.A O no hydrogen 2.929 N/A ALA 118.A N GLY 114.A O no hydrogen 2.786 N/A SER 121.A OG VAL 120.A O no hydrogen 3.330 N/A SER 121.A OG THR 123.A OG1 no hydrogen 3.045 N/A THR 123.A OG1 SER 121.A OG no hydrogen 3.045 N/A GLN 126.A N ASN 122.A O no hydrogen 3.188 N/A VAL 127.A N THR 123.A O no hydrogen 2.594 N/A VAL 128.A N PRO 124.A O no hydrogen 2.885 N/A LYS 129.A N ASP 125.A O no hydrogen 2.949 N/A THR 130.A N GLN 126.A O no hydrogen 3.203 N/A THR 130.A OG1 GLN 126.A O no hydrogen 2.865 N/A ILE 131.A N VAL 127.A O no hydrogen 2.853 N/A ASN 132.A N VAL 128.A O no hydrogen 2.745 N/A SER 133.A N LYS 129.A O no hydrogen 3.238 N/A SER 133.A N THR 130.A O no hydrogen 3.284 N/A SER 133.A OG THR 130.A O no hydrogen 2.699 N/A SER 133.A OG THR 323.A OG1 no hydrogen 2.765 N/A MET 134.A N ILE 131.A O no hydrogen 3.101 N/A TYR 137.A OH ASP 47.A OD2 no hydrogen 2.484 N/A VAL 138.A N MET 134.A O no hydrogen 3.299 N/A GLU 139.A N PRO 135.A O no hydrogen 2.931 N/A ALA 140.A N GLU 136.A O no hydrogen 3.017 N/A PHE 141.A N TYR 137.A O no hydrogen 2.849 N/A LYS 142.A N VAL 138.A O no hydrogen 3.055 N/A ALA 143.A N GLU 139.A O no hydrogen 3.182 N/A ALA 144.A N ALA 140.A O no hydrogen 2.973 N/A PHE 145.A N PHE 141.A O no hydrogen 2.781 N/A GLU 148.A N PHE 145.A O no hydrogen 3.267 N/A THR 153.A N PRO 151.A O no hydrogen 3.067 N/A ASN 156.A N THR 153.A OG1 no hydrogen 3.105 N/A ASN 156.A ND2 GLU 148.A OE2 no hydrogen 2.672 N/A ASN 156.A ND2 PRO 151.A O no hydrogen 2.765 N/A PHE 157.A N THR 153.A O no hydrogen 2.962 N/A ALA 158.A N PHE 154.A O no hydrogen 2.905 N/A ALA 159.A N ASP 155.A O no hydrogen 2.796 N/A ALA 160.A N ASN 156.A O no hydrogen 2.863 N/A ILE 161.A N PHE 157.A O no hydrogen 3.190 N/A GLU 162.A N ALA 158.A O no hydrogen 3.028 N/A GLN 163.A N ALA 159.A O no hydrogen 3.205 N/A GLN 163.A N ALA 160.A O no hydrogen 3.050 N/A GLN 163.A NE2 PRO 32.A O no hydrogen 2.881 N/A PHE 164.A N ALA 160.A O no hydrogen 3.085 N/A GLU 165.A N ILE 161.A O no hydrogen 2.667 N/A ALA 166.A N GLU 162.A O no hydrogen 3.019 N/A THR 167.A N PHE 164.A O no hydrogen 2.885 N/A THR 167.A OG1 PHE 164.A O no hydrogen 2.674 N/A LEU 168.A N GLU 165.A O no hydrogen 2.918 N/A THR 170.A N ASN 92.A OD1 no hydrogen 2.999 N/A THR 170.A OG1 THR 170.A O no hydrogen 2.660 N/A ASN 172.A ND2 GLU 20.A OE2 no hydrogen 2.596 N/A ASN 172.A ND2 GLU 307.A OE2 no hydrogen 3.239 N/A SER 173.A OG THR 303.A O no hydrogen 3.056 N/A PHE 175.A N THR 303.A O no hydrogen 3.066 N/A ASP 176.A N SER 173.A OG no hydrogen 3.123 N/A ARG 177.A N SER 173.A O no hydrogen 2.966 N/A ARG 177.A NH1 ASN 172.A O no hydrogen 3.482 N/A PHE 178.A N ALA 174.A O no hydrogen 2.862 N/A LEU 179.A N PHE 175.A O no hydrogen 2.884 N/A ALA 180.A N ASP 176.A O no hydrogen 2.866 N/A GLY 181.A N PHE 178.A O no hydrogen 2.946 N/A ASP 182.A N ARG 177.A O no hydrogen 2.915 N/A ALA 184.A N ASP 182.A OD1 no hydrogen 3.187 N/A ALA 185.A N ASP 182.A O no hydrogen 3.173 N/A THR 187.A N GLU 190.A OE1 no hydrogen 2.596 N/A GLN 189.A NE2 GLU 295.A OE2 no hydrogen 3.375 N/A GLN 189.A NE2 ASP 296.A OD1 no hydrogen 3.063 N/A GLU 190.A N THR 187.A OG1 no hydrogen 3.117 N/A LYS 191.A N THR 187.A O no hydrogen 2.957 N/A LYS 191.A NZ ASN 4.A OD1 no hydrogen 2.785 N/A LYS 191.A NZ ASP 183.A O no hydrogen 3.198 N/A ARG 192.A N ASP 188.A O no hydrogen 2.852 N/A ARG 192.A NE ASP 296.A OD2 no hydrogen 2.791 N/A ARG 192.A NH2 ASP 296.A OD1 no hydrogen 3.167 N/A ARG 192.A NH2 ASP 296.A OD2 no hydrogen 3.560 N/A GLY 193.A N GLN 189.A O no hydrogen 2.996 N/A LEU 194.A N GLU 190.A O no hydrogen 2.899 N/A GLN 195.A N LYS 191.A O no hydrogen 2.975 N/A ALA 196.A N ARG 192.A O no hydrogen 2.939 N/A PHE 197.A N GLY 193.A O no hydrogen 2.777 N/A MET 198.A N LEU 194.A O no hydrogen 3.025 N/A GLU 199.A N GLN 195.A O no hydrogen 2.798 N/A THR 200.A N ALA 196.A O no hydrogen 2.882 N/A THR 200.A OG1 ALA 196.A O no hydrogen 2.732 N/A CYS 202.A SG THR 200.A OG1 no hydrogen 3.705 N/A ALA 204.A N GLY 201.A O no hydrogen 3.211 N/A CYS 205.A N CYS 202.A O no hydrogen 3.223 N/A HIS 206.A N CYS 202.A O no hydrogen 3.050 N/A HIS 206.A ND1 PHE 211.A O no hydrogen 3.136 N/A HIS 206.A ND1 ALA 253.A O no hydrogen 2.924 N/A TYR 207.A OH ASP 215.A OD2 no hydrogen 2.698 N/A GLY 208.A N VAL 14.A O no hydrogen 2.729 N/A ASN 210.A ND2 ASN 92.A O no hydrogen 2.890 N/A ASN 210.A ND2 ASN 96.A OD1 no hydrogen 2.813 N/A PHE 211.A N GLY 208.A O no hydrogen 3.351 N/A GLY 212.A N TYR 207.A O no hydrogen 3.308 N/A GLY 213.A N ALA 252.A O no hydrogen 2.670 N/A GLN 214.A NE2 PHE 95.A O no hydrogen 3.003 N/A GLN 214.A NE2 GLY 212.A O no hydrogen 3.466 N/A HIS 217.A N PHE 250.A O no hydrogen 2.743 N/A HIS 217.A NE2 ASP 215.A OD1 no hydrogen 2.803 N/A PHE 219.A N HIS 217.A O no hydrogen 2.790 N/A GLY 220.A N THR 241.A O no hydrogen 3.102 N/A ILE 222.A N GLU 239.A O no hydrogen 2.831 N/A LYS 224.A N ARG 237.A O no hydrogen 2.796 N/A LYS 224.A NZ GLY 236.A O no hydrogen 3.141 N/A ALA 227.A N LYS 224.A O no hydrogen 3.111 N/A VAL 229.A N GLY 226.A O no hydrogen 2.751 N/A LEU 230.A N ALA 227.A O no hydrogen 3.455 N/A ASP 234.A N PRO 231.A O no hydrogen 2.799 N/A THR 235.A OG1 GLU 275.A OE2 no hydrogen 2.775 N/A GLY 236.A N GLU 275.A OE1 no hydrogen 3.223 N/A ARG 237.A NE ALA 227.A O no hydrogen 3.100 N/A ARG 237.A NH2 ALA 227.A O no hydrogen 3.425 N/A GLU 239.A N ILE 222.A O no hydrogen 2.949 N/A THR 241.A N GLY 220.A O no hydrogen 3.037 N/A ARG 242.A N GLN 284.A OE1 no hydrogen 2.926 N/A ARG 242.A NE ASP 246.A OD1 no hydrogen 2.681 N/A ARG 242.A NE ASP 246.A OD2 no hydrogen 3.346 N/A ARG 242.A NH2 ASP 246.A OD2 no hydrogen 3.274 N/A THR 243.A N PRO 218.A O no hydrogen 2.820 N/A THR 243.A OG1 PRO 218.A O no hydrogen 3.221 N/A THR 243.A OG1 TYR 248.A O no hydrogen 2.708 N/A ASP 246.A N THR 243.A O no hydrogen 3.263 N/A TYR 248.A OH ASP 102.A OD2 no hydrogen 2.361 N/A VAL 249.A N GLY 103.A O no hydrogen 2.999 N/A PHE 250.A N HIS 217.A O no hydrogen 2.757 N/A ARG 251.A N TRP 101.A O no hydrogen 2.838 N/A ARG 251.A NH2 ALA 98.A O no hydrogen 2.754 N/A ALA 252.A N ASP 215.A O no hydrogen 3.158 N/A LEU 255.A N PHE 211.A O no hydrogen 3.105 N/A ARG 256.A NE VAL 209.A O no hydrogen 2.786 N/A ARG 256.A NH1 ASP 176.A OD1 no hydrogen 2.995 N/A ARG 256.A NH2 ASP 176.A OD1 no hydrogen 2.949 N/A ARG 256.A NH2 VAL 209.A O no hydrogen 3.169 N/A ASN 257.A N LEU 304.A O no hydrogen 3.040 N/A ASN 257.A ND2 THR 170.A OG1 no hydrogen 2.993 N/A VAL 258.A N LEU 255.A O no hydrogen 3.097 N/A LEU 260.A N ASN 257.A O no hydrogen 2.733 N/A THR 261.A N VAL 258.A O no hydrogen 3.107 N/A THR 261.A OG1 VAL 258.A O no hydrogen 3.415 N/A TYR 264.A N VAL 270.A O no hydrogen 2.719 N/A TYR 264.A OH VAL 258.A O no hydrogen 2.731 N/A GLY 268.A N PHE 265.A O no hydrogen 2.916 N/A ALA 276.A N GLU 272.A O no hydrogen 3.149 N/A VAL 277.A N LEU 273.A O no hydrogen 2.954 N/A LYS 278.A N ALA 274.A O no hydrogen 2.924 N/A ILE 279.A N GLU 275.A O no hydrogen 2.909 N/A MET 280.A N ALA 276.A O no hydrogen 3.109 N/A SER 281.A N LYS 278.A O no hydrogen 3.119 N/A SER 282.A N THR 287.A O no hydrogen 2.661 N/A GLN 284.A NE2 VAL 240.A O no hydrogen 3.521 N/A GLY 286.A N SER 282.A O no hydrogen 3.188 N/A GLY 286.A N ALA 283.A O no hydrogen 3.096 N/A THR 287.A N SER 282.A O no hydrogen 3.194 N/A THR 287.A OG1 MET 280.A O no hydrogen 2.584 N/A LEU 289.A N SER 281.A OG no hydrogen 2.912 N/A THR 290.A N GLN 293.A OE1 no hydrogen 2.860 N/A GLN 292.A NE2 GLN 292.A O no hydrogen 3.303 N/A GLN 292.A NE2 ASP 296.A OD1 no hydrogen 2.981 N/A GLN 292.A NE2 ASP 296.A OD2 no hydrogen 3.461 N/A GLN 293.A N THR 290.A OG1 no hydrogen 3.068 N/A ALA 294.A N THR 290.A O no hydrogen 2.977 N/A GLU 295.A N ASP 291.A O no hydrogen 3.058 N/A ASP 296.A N GLN 292.A O no hydrogen 2.917 N/A ILE 297.A N GLN 293.A O no hydrogen 2.826 N/A THR 298.A N ALA 294.A O no hydrogen 3.069 N/A THR 298.A OG1 ALA 294.A O no hydrogen 2.929 N/A ALA 299.A N GLU 295.A O no hydrogen 3.178 N/A PHE 300.A N ASP 296.A O no hydrogen 2.720 N/A LEU 301.A N ILE 297.A O no hydrogen 2.908 N/A GLY 302.A N ALA 299.A O no hydrogen 3.118 N/A THR 303.A N PHE 300.A O no hydrogen 2.679 N/A THR 303.A OG1 PHE 300.A O no hydrogen 2.659 N/A LEU 304.A N LEU 301.A O no hydrogen 3.119 N/A THR 305.A N GLY 302.A O no hydrogen 3.415 N/A THR 305.A OG1 GLY 302.A O no hydrogen 3.397 N/A GLY 306.A N ASN 257.A OD1 no hydrogen 3.033 N/A GLU 307.A N PRO 171.A O no hydrogen 3.037 N/A GLN 308.A NE2 ASN 257.A OD1 no hydrogen 3.222 N/A GLN 308.A NE2 GLY 306.A O no hydrogen 3.049 N/A HIS 313.A ND1 PRO 314.A O no hydrogen 2.830 N/A VAL 318.A N GLU 136.A OE2 no hydrogen 3.243 N/A ARG 319.A NH2 PRO 324.A O no hydrogen 2.851 N/A THR 320.A N THR 323.A OG1 no hydrogen 2.802 N/A THR 320.A OG1 SER 133.A O no hydrogen 2.382 N/A THR 320.A OG1 THR 323.A OG1 no hydrogen 3.430 N/A THR 323.A N THR 320.A O no hydrogen 2.944 N/A THR 323.A OG1 SER 133.A OG no hydrogen 2.765 N/A THR 323.A OG1 THR 320.A O no hydrogen 3.084 N/A THR 323.A OG1 THR 320.A OG1 no hydrogen 3.430 N/A THR 327.A N SER 52.A O no hydrogen 2.877 N/A