Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ce9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLU 229.A OE2 no hydrogen 2.763 N/A LEU 8.A N ASP 143.A O no hydrogen 2.805 N/A ILE 9.A N ASP 143.A O no hydrogen 3.141 N/A GLU 11.A N ILE 145.A O no hydrogen 2.921 N/A GLY 13.A N VAL 147.A O no hydrogen 2.981 N/A ASN 14.A ND2 GLU 213.A OE2 no hydrogen 3.145 N/A LYS 16.A N ASP 148.A OD2 no hydrogen 2.927 N/A LYS 16.A NZ GLU 11.A OE1 no hydrogen 2.757 N/A ILE 17.A N ASP 148.A OD2 no hydrogen 3.164 N/A ASN 19.A N LYS 16.A O no hydrogen 3.085 N/A ASN 19.A ND2 ASN 15.A O no hydrogen 2.752 N/A ILE 20.A N ILE 17.A O no hydrogen 3.251 N/A GLY 21.A N SER 51.A OG no hydrogen 2.951 N/A ILE 23.A N ASN 19.A O no hydrogen 3.014 N/A ILE 24.A N ILE 20.A O no hydrogen 2.955 N/A GLY 27.A N ILE 24.A O no hydrogen 2.796 N/A ASN 28.A N LYS 25.A O no hydrogen 2.865 N/A LYS 30.A N ASP 85.A OD2 no hydrogen 2.744 N/A VAL 32.A N GLU 58.A O no hydrogen 2.891 N/A SER 33.A N ALA 86.A O no hydrogen 3.076 N/A LEU 34.A N ALA 61.A O no hydrogen 2.897 N/A TYR 35.A N ILE 88.A O no hydrogen 2.787 N/A PHE 36.A N GLU 63.A O no hydrogen 2.856 N/A GLY 37.A N ILE 90.A O no hydrogen 2.861 N/A ILE 40.A N GLY 37.A O no hydrogen 3.161 N/A TYR 41.A OH GLU 49.A OE2 no hydrogen 2.572 N/A LEU 43.A N ILE 40.A O no hydrogen 3.014 N/A PHE 44.A N ILE 40.A O no hydrogen 3.033 N/A GLY 45.A N TYR 41.A O no hydrogen 2.768 N/A ILE 48.A N PHE 44.A O no hydrogen 3.027 N/A GLU 49.A N GLY 45.A O no hydrogen 2.874 N/A LYS 50.A N GLU 46.A O no hydrogen 2.900 N/A SER 51.A N THR 47.A O no hydrogen 2.944 N/A SER 51.A OG TYR 18.A O no hydrogen 2.803 N/A ILE 52.A N ILE 48.A O no hydrogen 2.999 N/A LYS 53.A N GLU 49.A O no hydrogen 2.895 N/A SER 54.A N LYS 50.A O no hydrogen 2.822 N/A SER 54.A OG LYS 50.A O no hydrogen 3.061 N/A SER 54.A OG SER 51.A O no hydrogen 2.926 N/A SER 55.A N ILE 52.A O no hydrogen 3.006 N/A SER 55.A OG SER 51.A O no hydrogen 3.421 N/A ASN 56.A N LYS 53.A O no hydrogen 2.941 N/A ILE 57.A N ILE 52.A O no hydrogen 3.295 N/A GLU 58.A N LYS 30.A O no hydrogen 3.018 N/A GLU 60.A N VAL 32.A O no hydrogen 2.747 N/A GLU 63.A N LEU 34.A O no hydrogen 2.857 N/A VAL 65.A N PHE 36.A O no hydrogen 2.815 N/A ASP 69.A N ASN 67.A OD1.A no hydrogen 3.184 N/A PHE 70.A N LEU 129.A O no hydrogen 3.107 N/A ILE 73.A N ASP 69.A O no hydrogen 2.969 N/A GLY 74.A N PHE 70.A O no hydrogen 2.970 N/A THR 75.A N ASP 71.A O no hydrogen 3.038 N/A THR 75.A OG1 ASP 71.A O no hydrogen 3.081 N/A ASN 76.A N GLU 72.A O no hydrogen 2.805 N/A ALA 77.A N ILE 73.A O no hydrogen 2.701 N/A PHE 78.A N GLY 74.A O no hydrogen 3.146 N/A LYS 79.A N ASN 76.A O no hydrogen 3.066 N/A ILE 80.A N ALA 77.A O no hydrogen 3.171 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.459 N/A VAL 84.A N PRO 81.A O no hydrogen 3.208 N/A ASP 85.A N ARG 31.A O no hydrogen 2.663 N/A LEU 87.A N PRO 108.A O no hydrogen 2.938 N/A ILE 88.A N SER 33.A O no hydrogen 2.877 N/A GLY 89.A N ILE 110.A O no hydrogen 2.978 N/A ILE 90.A N TYR 35.A O no hydrogen 2.778 N/A GLY 91.A N VAL 112.A O no hydrogen 3.353 N/A ILE 96.A N GLY 92.A O no hydrogen 2.856 N/A ASP 97.A N GLY 93.A O no hydrogen 2.924 N/A ALA 98.A N LYS 94.A O no hydrogen 3.032 N/A VAL 99.A N ALA 95.A O no hydrogen 3.173 N/A LYS 100.A N ILE 96.A O no hydrogen 2.859 N/A LYS 100.A NZ ASP 97.A OD1 no hydrogen 3.480 N/A LYS 100.A NZ GLY 120.A O no hydrogen 2.550 N/A LYS 100.A NZ SER 123.A O no hydrogen 2.626 N/A LYS 100.A NZ VAL 125.A O no hydrogen 2.862 N/A TYR 101.A N ASP 97.A O no hydrogen 3.044 N/A PHE 103.A N LYS 100.A O no hydrogen 2.977 N/A LEU 104.A N TYR 101.A O no hydrogen 2.938 N/A ARG 105.A NH1 ALA 77.A O no hydrogen 2.865 N/A ARG 105.A NH1 ILE 80.A O no hydrogen 2.869 N/A ARG 105.A NH2 ILE 80.A O no hydrogen 3.557 N/A LYS 106.A N PHE 103.A O no hydrogen 3.191 N/A LEU 107.A N ALA 102.A O no hydrogen 2.827 N/A PHE 109.A N ASP 143.A OD1 no hydrogen 2.800 N/A ILE 110.A N LEU 87.A O no hydrogen 2.871 N/A SER 111.A N GLY 144.A O no hydrogen 2.796 N/A SER 111.A OG PHE 121.A O no hydrogen 2.802 N/A VAL 112.A N GLY 89.A O no hydrogen 2.864 N/A THR 114.A N GLY 91.A O no hydrogen 2.968 N/A ASP 119.A N ASP 166.A OD2 no hydrogen 2.918 N/A GLY 120.A N ASN 118.A OD1 no hydrogen 2.705 N/A SER 122.A N ASP 119.A O no hydrogen 3.086 N/A SER 122.A OG ASP 119.A O no hydrogen 3.085 N/A SER 122.A OG LEU 223.A O no hydrogen 2.869 N/A SER 122.A OG THR 224.A O no hydrogen 3.452 N/A SER 123.A OG ASP 119.A O no hydrogen 3.414 N/A SER 123.A OG VAL 125.A O no hydrogen 3.239 N/A VAL 125.A N SER 123.A OG no hydrogen 3.270 N/A ALA 126.A N VAL 137.A O no hydrogen 2.840 N/A SER 127.A N ASP 97.A OD2 no hydrogen 2.934 N/A LEU 128.A N THR 135.A O no hydrogen 2.905 N/A LEU 129.A N ILE 68.A O no hydrogen 2.841 N/A ILE 130.A N LYS 133.A O no hydrogen 2.872 N/A LYS 133.A N ILE 130.A O no hydrogen 3.280 N/A ARG 134.A NE ASP 249.A OD2 no hydrogen 2.911 N/A ARG 134.A NH1 GLN 256.A O no hydrogen 3.207 N/A ARG 134.A NH2 ASP 249.A OD1 no hydrogen 2.586 N/A ARG 134.A NH2 ASP 249.A OD2 no hydrogen 3.214 N/A ARG 134.A NH2 GLN 256.A O no hydrogen 2.934 N/A THR 135.A N LEU 128.A O no hydrogen 2.791 N/A THR 135.A OG1 LYS 133.A O no hydrogen 2.906 N/A VAL 137.A N ALA 126.A O no hydrogen 2.844 N/A ALA 139.A N PRO 124.A O no hydrogen 2.785 N/A LYS 140.A NZ ASP 143.A OD1 no hydrogen 2.659 N/A THR 141.A OG1 GLU 229.A OE1 no hydrogen 2.573 N/A ASP 143.A N PHE 109.A O no hydrogen 2.842 N/A GLY 144.A N PHE 109.A O no hydrogen 3.240 N/A ILE 145.A N ILE 9.A O no hydrogen 2.790 N/A VAL 146.A N SER 111.A O no hydrogen 2.859 N/A VAL 147.A N GLU 11.A O no hydrogen 2.755 N/A ILE 149.A N GLY 13.A O no hydrogen 2.807 N/A ASP 150.A N ASP 148.A OD1 no hydrogen 2.851 N/A VAL 151.A N ASP 148.A OD1 no hydrogen 3.242 N/A ILE 152.A N ASP 148.A O no hydrogen 3.054 N/A LYS 153.A N ILE 149.A O no hydrogen 2.823 N/A GLY 154.A N VAL 151.A O no hydrogen 2.985 N/A SER 155.A N ILE 152.A O no hydrogen 3.019 N/A SER 155.A OG ILE 152.A O no hydrogen 2.700 N/A PHE 159.A N PRO 156.A O no hydrogen 3.078 N/A TYR 161.A N GLU 157.A O no hydrogen 2.940 N/A SER 162.A N LYS 158.A O no hydrogen 3.010 N/A SER 162.A OG SER 117.A O no hydrogen 2.649 N/A GLY 163.A N PHE 159.A O no hydrogen 2.925 N/A ILE 164.A N ILE 160.A O no hydrogen 2.845 N/A GLY 165.A N TYR 161.A O no hydrogen 3.124 N/A ASP 166.A N SER 162.A O no hydrogen 3.066 N/A ASP 166.A N GLY 163.A O no hydrogen 3.137 N/A LEU 167.A N GLY 163.A O no hydrogen 2.985 N/A VAL 168.A N ILE 164.A O no hydrogen 2.995 N/A SER 169.A OG ASP 166.A O no hydrogen 2.526 N/A ASN 170.A N LEU 167.A O no hydrogen 3.092 N/A ASN 170.A ND2 SER 195.A O no hydrogen 3.506 N/A ASN 170.A ND2 ASN 225.A OD1 no hydrogen 2.377 N/A ILE 171.A N VAL 168.A O no hydrogen 3.071 N/A THR 172.A OG1 SER 169.A O no hydrogen 3.260 N/A THR 172.A OG1 GLU 241.A OE1 no hydrogen 2.801 N/A ALA 173.A N SER 169.A O no hydrogen 2.883 N/A LEU 174.A N ASN 170.A O no hydrogen 2.950 N/A TYR 175.A N ILE 171.A O no hydrogen 3.396 N/A ASP 176.A N THR 172.A O no hydrogen 2.944 N/A TRP 177.A N ALA 173.A O no hydrogen 2.867 N/A LYS 178.A N LEU 174.A O no hydrogen 2.983 N/A PHE 179.A N TYR 175.A O no hydrogen 2.989 N/A GLU 180.A N ASP 176.A O no hydrogen 2.848 N/A GLU 181.A N TRP 177.A O no hydrogen 2.983 N/A GLU 182.A N LYS 178.A O no hydrogen 2.982 N/A ASN 183.A N PHE 179.A O no hydrogen 3.214 N/A ASN 183.A N GLU 180.A O no hydrogen 3.115 N/A ASN 183.A ND2 PHE 179.A O no hydrogen 2.874 N/A HIS 184.A N GLU 181.A O no hydrogen 2.687 N/A LYS 185.A N GLU 180.A O no hydrogen 2.962 N/A SER 186.A OG GLU 180.A OE1 no hydrogen 3.172 N/A ILE 188.A N GLU 181.A OE2 no hydrogen 2.968 N/A ALA 192.A N ASP 189.A OD1 no hydrogen 2.985 N/A VAL 193.A N ASP 189.A O no hydrogen 3.018 N/A SER 195.A N ALA 192.A O no hydrogen 3.222 N/A LYS 196.A N VAL 193.A O no hydrogen 2.889 N/A SER 198.A N ILE 194.A O no hydrogen 2.839 N/A SER 198.A OG SER 195.A O no hydrogen 3.054 N/A SER 198.A OG SER 222.A O no hydrogen 3.552 N/A SER 198.A OG ASN 225.A OD1 no hydrogen 3.361 N/A VAL 199.A N SER 195.A O no hydrogen 3.119 N/A ASN 200.A N LYS 196.A O no hydrogen 3.018 N/A SER 201.A N LYS 197.A O no hydrogen 3.064 N/A SER 201.A OG GLU 218.A OE1 no hydrogen 3.084 N/A PHE 202.A N SER 198.A O no hydrogen 3.202 N/A VAL 203.A N VAL 199.A O no hydrogen 2.910 N/A ARG 204.A N ASN 200.A O no hydrogen 3.290 N/A THR 205.A N PHE 202.A O no hydrogen 2.976 N/A THR 205.A OG1 SER 201.A O no hydrogen 2.820 N/A THR 205.A OG1 PHE 202.A O no hydrogen 3.409 N/A LYS 208.A N ASP 212.A OD2 no hydrogen 3.140 N/A LYS 211.A N SER 209.A OG no hydrogen 3.217 N/A LYS 211.A NZ LYS 153.A O no hydrogen 2.796 N/A LYS 211.A NZ SER 155.A O no hydrogen 2.689 N/A ASP 212.A N SER 209.A O no hydrogen 3.147 N/A LEU 216.A N ASP 212.A O no hydrogen 2.898 N/A LYS 217.A N GLU 213.A O no hydrogen 2.878 N/A LYS 217.A NZ ASP 221.A OD1 no hydrogen 3.465 N/A LYS 217.A NZ ASP 221.A OD2 no hydrogen 2.730 N/A GLU 218.A N VAL 214.A O no hydrogen 3.076 N/A LEU 219.A N PHE 215.A O no hydrogen 2.895 N/A VAL 220.A N LEU 216.A O no hydrogen 2.863 N/A ASP 221.A N LYS 217.A O no hydrogen 2.989 N/A SER 222.A N GLU 218.A O no hydrogen 3.066 N/A SER 222.A OG SER 198.A O no hydrogen 2.752 N/A SER 222.A OG GLU 218.A O no hydrogen 3.101 N/A LEU 223.A N LEU 219.A O no hydrogen 3.058 N/A THR 224.A N VAL 220.A O no hydrogen 2.946 N/A THR 224.A OG1 VAL 220.A O no hydrogen 2.806 N/A GLY 226.A N LEU 223.A O no hydrogen 3.364 N/A ILE 227.A N THR 224.A O no hydrogen 3.236 N/A ILE 230.A N ILE 227.A O no hydrogen 2.826 N/A ALA 231.A N ALA 228.A O no hydrogen 2.885 N/A SER 235.A N ASN 233.A OD1 no hydrogen 2.813 N/A SER 235.A OG ASN 233.A OD1 no hydrogen 3.371 N/A ALA 237.A N SER 234.A O no hydrogen 2.882 N/A GLY 239.A N GLU 241.A OE2 no hydrogen 2.637 N/A ALA 240.A N ASP 176.A OD2 no hydrogen 2.933 N/A HIS 242.A ND1 GLU 241.A OE2 no hydrogen 2.710 N/A HIS 242.A NE2 ASP 166.A OD1 no hydrogen 2.943 N/A LEU 243.A N GLY 239.A O no hydrogen 3.140 N/A ILE 244.A N ALA 240.A O no hydrogen 2.866 N/A SER 245.A N GLU 241.A O no hydrogen 3.328 N/A HIS 246.A N HIS 242.A O no hydrogen 2.856 N/A ALA 247.A N LEU 243.A O no hydrogen 3.027 N/A LEU 248.A N ILE 244.A O no hydrogen 3.011 N/A ASP 249.A N SER 245.A O no hydrogen 3.027 N/A LYS 250.A N ALA 247.A O no hydrogen 3.150 N/A LYS 250.A NZ ARG 134.A O no hydrogen 3.108 N/A LYS 250.A NZ HIS 246.A O no hydrogen 2.701 N/A PHE 251.A N LEU 248.A O no hydrogen 3.198 N/A LEU 252.A N LEU 248.A O no hydrogen 2.898 N/A GLN 256.A N GLN 261.A OE1 no hydrogen 3.180 N/A GLN 261.A N LEU 257.A O no hydrogen 3.020 N/A GLN 261.A NE2 SER 245.A O no hydrogen 3.342 N/A GLN 261.A NE2 SER 245.A OG no hydrogen 2.713 N/A GLN 261.A NE2 ASP 249.A OD1 no hydrogen 3.002 N/A VAL 262.A N HIS 258.A O no hydrogen 2.798 N/A GLY 263.A N GLY 259.A O no hydrogen 2.834 N/A VAL 264.A N ILE 260.A O no hydrogen 3.246 N/A ALA 265.A N GLN 261.A O no hydrogen 2.968 N/A THR 266.A N VAL 262.A O no hydrogen 2.761 N/A THR 266.A OG1 VAL 262.A O no hydrogen 2.829 N/A TYR 267.A N GLY 263.A O no hydrogen 3.065 N/A TYR 267.A OH ASP 335.A OD1 no hydrogen 2.820 N/A TYR 267.A OH ASP 335.A OD2 no hydrogen 2.997 N/A ILE 268.A N VAL 264.A O no hydrogen 3.076 N/A SER 269.A OG TYR 267.A O no hydrogen 2.455 N/A LYS 270.A N TYR 267.A O no hydrogen 3.402 N/A LYS 270.A N ILE 268.A O no hydrogen 3.082 N/A VAL 271.A N ILE 268.A O no hydrogen 3.121 N/A HIS 272.A NE2 ASP 176.A OD1 no hydrogen 3.014 N/A HIS 274.A N SER 269.A O no hydrogen 3.207 N/A ARG 275.A NH2 ASN 200.A OD1 no hydrogen 2.596 N/A ILE 279.A N ARG 275.A O no hydrogen 3.214 N/A LYS 280.A N GLU 276.A O no hydrogen 2.921 N/A LYS 281.A N GLU 277.A O no hydrogen 2.884 N/A ILE 282.A N ARG 278.A O no hydrogen 2.974 N/A LEU 283.A N ILE 279.A O no hydrogen 3.167 N/A SER 284.A N LYS 280.A O no hydrogen 3.013 N/A SER 284.A OG LYS 280.A O no hydrogen 2.667 N/A ASP 285.A N LYS 281.A O no hydrogen 2.832 N/A THR 286.A N ILE 282.A O no hydrogen 3.157 N/A THR 286.A OG1 ILE 282.A O no hydrogen 2.680 N/A GLY 287.A N SER 284.A O no hydrogen 2.858 N/A PHE 289.A N LEU 283.A O no hydrogen 3.112 N/A TYR 291.A N GLY 287.A O no hydrogen 2.934 N/A VAL 292.A N PHE 288.A O no hydrogen 2.946 N/A LYS 293.A N PHE 289.A O no hydrogen 3.082 N/A LYS 293.A N ASN 290.A O no hydrogen 3.295 N/A GLY 294.A N TYR 291.A O no hydrogen 3.248 N/A LEU 295.A N VAL 292.A O no hydrogen 2.981 N/A ASN 296.A N LYS 293.A O no hydrogen 3.483 N/A LYS 298.A N VAL 343.A O no hydrogen 2.820 N/A PHE 301.A N LYS 297.A O no hydrogen 3.357 N/A LYS 302.A N LYS 298.A O no hydrogen 2.958 N/A ARG 303.A N SER 299.A O no hydrogen 3.158 N/A ARG 303.A NE GLU 307.A OE2 no hydrogen 3.001 N/A ALA 304.A N ASP 300.A O no hydrogen 2.891 N/A ILE 305.A N PHE 301.A O no hydrogen 2.852 N/A SER 306.A N LYS 302.A O no hydrogen 3.179 N/A SER 306.A OG LYS 302.A O no hydrogen 3.252 N/A GLU 307.A N ARG 303.A O no hydrogen 3.024 N/A GLU 307.A N ALA 304.A O no hydrogen 3.187 N/A ALA 308.A N ILE 305.A O no hydrogen 3.446 N/A LEU 310.A N GLU 307.A O no hydrogen 2.986 N/A ILE 311.A N ALA 308.A O no hydrogen 3.124 N/A ARG 315.A N LYS 312.A O no hydrogen 3.125 N/A ARG 315.A NE GLU 180.A OE2 no hydrogen 2.773 N/A ARG 315.A NH1 SER 238.A O no hydrogen 2.777 N/A ARG 315.A NH2 GLU 180.A OE1 no hydrogen 2.891 N/A ARG 315.A NH2 GLU 180.A OE2 no hydrogen 3.461 N/A TYR 316.A N GLU 180.A OE2 no hydrogen 2.865 N/A THR 317.A N HIS 320.A ND1 no hydrogen 2.967 N/A THR 317.A OG1 HIS 320.A ND1 no hydrogen 2.941 N/A TYR 318.A N ASP 176.A OD1 no hydrogen 3.023 N/A LEU 319.A N THR 317.A OG1 no hydrogen 3.044 N/A HIS 320.A N THR 317.A O no hydrogen 3.085 N/A HIS 320.A ND1 THR 317.A OG1 no hydrogen 2.941 N/A HIS 320.A NE2 LYS 312.A O no hydrogen 2.785 N/A VAL 321.A N TYR 318.A O no hydrogen 3.087 N/A ASN 324.A ND2 TYR 318.A O no hydrogen 3.024 N/A CYS 325.A N VAL 321.A O no hydrogen 3.275 N/A CYS 325.A N GLU 322.A O no hydrogen 2.895 N/A CYS 325.A SG ILE 305.A O no hydrogen 3.989 N/A CYS 325.A SG LEU 319.A O no hydrogen 3.400 N/A CYS 325.A SG VAL 321.A O no hydrogen 3.626 N/A GLU 326.A N GLU 322.A O no hydrogen 3.036 N/A THR 327.A N LYS 323.A O no hydrogen 2.995 N/A THR 327.A OG1 LYS 323.A O no hydrogen 3.161 N/A ALA 328.A N ASN 324.A O no hydrogen 2.931 N/A LYS 329.A N CYS 325.A O no hydrogen 2.930 N/A LYS 329.A NZ SER 306.A OG no hydrogen 2.867 N/A GLU 330.A N GLU 326.A O no hydrogen 2.876 N/A ILE 331.A N THR 327.A O no hydrogen 2.981 N/A ILE 331.A N ALA 328.A O no hydrogen 3.258 N/A VAL 332.A N ALA 328.A O no hydrogen 3.164 N/A ASP 333.A N LYS 329.A O no hydrogen 3.185 N/A THR 334.A N ILE 331.A O no hydrogen 3.188 N/A THR 334.A OG1 GLU 330.A O no hydrogen 2.729 N/A ASP 335.A N ILE 331.A O no hydrogen 2.848 N/A LEU 338.A N ASP 335.A OD2 no hydrogen 2.919 N/A ARG 339.A N ASP 335.A O no hydrogen 2.994 N/A ARG 339.A NH1 THR 334.A O no hydrogen 2.341 N/A ASN 340.A N GLU 336.A O no hydrogen 3.139 N/A ASN 340.A N ILE 337.A O no hydrogen 3.047 N/A ILE 341.A N ILE 337.A O no hydrogen 2.930 N/A