Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ckm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ALA 54.A O no hydrogen 3.117 N/A ILE 3.A N PRO 34.A O no hydrogen 2.896 N/A GLY 4.A N THR 58.A O no hydrogen 2.871 N/A LEU 5.A N GLN 36.A O no hydrogen 2.869 N/A LEU 6.A N VAL 60.A O no hydrogen 2.784 N/A LEU 7.A N PHE 38.A O no hydrogen 3.208 N/A LEU 9.A N ASP 39.A OD1 no hydrogen 2.909 N/A SER 10.A OG ASP 39.A OD2 no hydrogen 2.667 N/A GLN 14.A N GLY 11.A O no hydrogen 3.121 N/A GLY 17.A N GLY 13.A O no hydrogen 2.940 N/A THR 18.A N GLN 14.A O no hydrogen 2.878 N/A THR 18.A OG1 GLN 14.A O no hydrogen 2.989 N/A THR 19.A N ILE 15.A O no hydrogen 3.177 N/A THR 19.A OG1 ILE 15.A O no hydrogen 2.631 N/A ILE 20.A N LEU 16.A O no hydrogen 3.027 N/A GLN 21.A N GLY 17.A O no hydrogen 2.806 N/A SER 22.A N THR 18.A O no hydrogen 3.016 N/A SER 22.A OG.B THR 18.A O no hydrogen 3.522 N/A GLY 23.A N THR 19.A O no hydrogen 3.223 N/A PHE 24.A N ILE 20.A O no hydrogen 2.884 N/A ASN 25.A N GLN 21.A O no hydrogen 2.818 N/A ASP 26.A N SER 22.A O no hydrogen 2.913 N/A ALA 27.A N GLY 23.A O no hydrogen 2.986 N/A LYS 28.A N PHE 24.A O no hydrogen 2.853 N/A GLY 29.A N ASN 25.A O no hydrogen 3.127 N/A SER 31.A N LYS 28.A O no hydrogen 2.976 N/A ILE 33.A N SER 31.A OG no hydrogen 3.044 N/A GLN 36.A N ILE 3.A O no hydrogen 2.851 N/A PHE 38.A N LEU 5.A O no hydrogen 2.790 N/A THR 40.A N LEU 7.A O no hydrogen 2.906 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.864 N/A SER 41.A OG SER 10.A O no hydrogen 2.730 N/A ASP 46.A N SER 43.A OG no hydrogen 3.013 N/A ILE 47.A N SER 43.A O no hydrogen 2.950 N/A ILE 48.A N VAL 44.A O no hydrogen 2.971 N/A ALA 49.A N GLN 45.A O no hydrogen 3.241 N/A GLN 50.A N ASP 46.A O no hydrogen 2.942 N/A GLN 50.A NE2 ASP 46.A OD1 no hydrogen 3.089 N/A ALA 51.A N ILE 47.A O no hydrogen 2.826 N/A LYS 52.A N ILE 48.A O no hydrogen 2.938 N/A LYS 52.A NZ GLN 77.A O no hydrogen 2.657 N/A GLN 53.A N ALA 49.A O no hydrogen 3.094 N/A ALA 54.A N GLN 50.A O no hydrogen 3.098 N/A ALA 54.A N ALA 51.A O no hydrogen 3.088 N/A GLY 55.A N LYS 52.A O no hydrogen 2.956 N/A ILE 56.A N ALA 51.A O no hydrogen 2.964 N/A LEU 59.A N ASP 81.A O no hydrogen 2.827 N/A VAL 60.A N GLY 4.A O no hydrogen 2.832 N/A GLY 61.A N LEU 83.A O no hydrogen 2.779 N/A GLN 66.A N GLN 66.A OE1 no hydrogen 2.809 N/A ASN 67.A N LEU 64.A O no hydrogen 2.905 N/A LEU 68.A N LEU 64.A O no hydrogen 3.061 N/A ASP 69.A N LYS 65.A O no hydrogen 2.884 N/A VAL 70.A N ASN 67.A O no hydrogen 3.178 N/A LEU 72.A N LEU 68.A O no hydrogen 2.958 N/A ALA 73.A N ASP 69.A O no hydrogen 2.859 N/A ASP 74.A N VAL 70.A O no hydrogen 3.184 N/A ASP 74.A N ILE 71.A O no hydrogen 3.245 N/A GLN 77.A N ASP 74.A O no hydrogen 3.444 N/A GLN 77.A NE2 ASP 74.A O no hydrogen 3.038 N/A ILE 78.A N PRO 75.A O no hydrogen 3.209 N/A GLN 79.A N ALA 76.A O no hydrogen 3.082 N/A ASP 81.A N LYS 57.A O no hydrogen 2.813 N/A VAL 82.A N GLN 96.A O no hydrogen 2.898 N/A LEU 83.A N LEU 59.A O no hydrogen 2.903 N/A ALA 84.A N CYS 98.A O no hydrogen 2.846 N/A LEU 85.A N PRO 62.A O no hydrogen 2.899 N/A ASN 86.A ND2.A LEU 63.A O no hydrogen 3.088 N/A ASN 86.A ND2.B LEU 63.A O no hydrogen 2.722 N/A ALA 87.A N ASN 86.A OD1.B no hydrogen 2.748 N/A SER 91.A OG THR 88.A O no hydrogen 3.183 N/A ARG 92.A NH1 LEU 72.A O no hydrogen 3.104 N/A ARG 92.A NH2 LEU 72.A O no hydrogen 2.683 N/A GLN 96.A NE2 ASP 81.A OD1 no hydrogen 2.923 N/A LEU 97.A N ILE 94.A O no hydrogen 3.080 N/A CYS 98.A N VAL 82.A O no hydrogen 2.917 N/A TYR 99.A N CYS 290.A O no hydrogen 2.887 N/A TYR 99.A OH ARG 92.A O no hydrogen 3.027 N/A TYR 100.A N ALA 84.A O no hydrogen 2.836 N/A TYR 100.A OH THR 281.A OG1 no hydrogen 2.695 N/A SER 103.A N ASP 106.A OD2 no hydrogen 3.150 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.828 N/A ASP 106.A N SER 103.A OG no hydrogen 3.134 N/A ALA 108.A N PRO 104.A O no hydrogen 2.986 N/A GLU 109.A N GLU 105.A O no hydrogen 3.022 N/A SER 110.A N.A ASP 106.A O no hydrogen 3.074 N/A SER 110.A N.B ASP 106.A O no hydrogen 3.095 N/A SER 110.A OG.A ASP 106.A O no hydrogen 3.492 N/A SER 110.A OG.A ARG 294.A O no hydrogen 3.384 N/A ALA 111.A N GLU 107.A O no hydrogen 2.933 N/A ALA 112.A N ALA 108.A O no hydrogen 3.011 N/A ASN 113.A N GLU 109.A O no hydrogen 3.083 N/A LYS 114.A N SER 110.A O.A no hydrogen 2.855 N/A LYS 114.A N SER 110.A O.B no hydrogen 2.816 N/A LYS 114.A NZ ASP 117.A OD1 no hydrogen 3.246 N/A LYS 114.A NZ ASP 117.A OD2 no hydrogen 2.721 N/A LYS 114.A NZ GLN 223.A OE1 no hydrogen 2.788 N/A ASN 116.A N ASN 113.A O no hydrogen 2.945 N/A ASP 117.A N LYS 114.A O no hydrogen 2.902 N/A GLY 118.A N TRP 115.A O no hydrogen 3.068 N/A ARG 120.A NH1 TRP 115.A O no hydrogen 3.119 N/A ARG 120.A NH1 VAL 119.A O no hydrogen 2.878 N/A LEU 123.A N ALA 174.A O no hydrogen 3.044 N/A VAL 124.A N ASN 151.A O no hydrogen 2.913 N/A ALA 125.A N TYR 176.A O no hydrogen 2.829 N/A GLN 127.A N TYR 155.A O no hydrogen 2.992 N/A ASN 128.A N PRO 126.A O no hydrogen 2.886 N/A GLY 131.A N ASN 128.A OD1 no hydrogen 2.826 N/A GLN 132.A N ASN 128.A O no hydrogen 3.040 N/A ARG 133.A N ASP 129.A O no hydrogen 3.001 N/A VAL 134.A N LEU 130.A O no hydrogen 2.854 N/A GLY 135.A N GLY 131.A O no hydrogen 2.844 N/A ASN 136.A N GLN 132.A O no hydrogen 2.957 N/A ALA 137.A N ARG 133.A O no hydrogen 3.138 N/A PHE 138.A N VAL 134.A O no hydrogen 3.054 N/A ASN 139.A N GLY 135.A O no hydrogen 2.843 N/A VAL 140.A N ASN 136.A O no hydrogen 2.848 N/A ARG 141.A N.A ALA 137.A O no hydrogen 3.272 N/A ARG 141.A N.B ALA 137.A O no hydrogen 3.274 N/A ARG 141.A NE.B ASN 113.A OD1 no hydrogen 2.604 N/A ARG 141.A NH1.A GLU 293.A OE2 no hydrogen 3.268 N/A ARG 141.A NH1.B ASN 113.A OD1 no hydrogen 3.270 N/A ARG 141.A NH2.B GLN 144.A OE1 no hydrogen 2.902 N/A TRP 142.A N PHE 138.A O no hydrogen 2.834 N/A GLN 143.A N ASN 139.A O no hydrogen 2.803 N/A GLN 144.A N VAL 140.A O no hydrogen 3.263 N/A LEU 145.A N ARG 141.A O.A no hydrogen 3.000 N/A LEU 145.A N ARG 141.A O.B no hydrogen 2.995 N/A ALA 146.A N TRP 142.A O no hydrogen 2.776 N/A GLY 147.A N GLN 143.A O no hydrogen 2.966 N/A ILE 152.A N ALA 150.A O no hydrogen 3.078 N/A ARG 153.A N VAL 124.A O no hydrogen 2.775 N/A ARG 153.A NH1 GLU 167.A OE2 no hydrogen 3.002 N/A ARG 153.A NH2 GLU 167.A OE2 no hydrogen 2.946 N/A TYR 155.A OH VAL 178.A O no hydrogen 2.594 N/A ASN 156.A N ASP 160.A OD2.A no hydrogen 2.805 N/A ASN 156.A N ASP 160.A OD2.B no hydrogen 2.970 N/A ASN 156.A ND2 GLN 127.A OE1 no hydrogen 2.840 N/A LEU 157.A N ASP 160.A OD2.A no hydrogen 2.888 N/A ASP 160.A N LEU 157.A O no hydrogen 2.895 N/A VAL 161.A N PRO 158.A O no hydrogen 3.074 N/A THR 162.A N ALA 159.A O no hydrogen 2.997 N/A THR 162.A OG1 ALA 159.A O no hydrogen 2.858 N/A TYR 163.A N ALA 159.A O no hydrogen 3.357 N/A PHE 164.A N ASP 160.A O no hydrogen 2.995 N/A VAL 165.A N VAL 161.A O no hydrogen 3.229 N/A GLN 166.A N THR 162.A O no hydrogen 3.058 N/A GLN 166.A NE2 THR 162.A O no hydrogen 3.199 N/A GLU 167.A N TYR 163.A O no hydrogen 2.860 N/A ASN 168.A N VAL 165.A O no hydrogen 3.194 N/A ASN 169.A N ASN 168.A OD1 no hydrogen 2.255 N/A LEU 175.A N ALA 198.A O no hydrogen 2.882 N/A TYR 176.A N LEU 123.A O no hydrogen 2.845 N/A ALA 177.A N TYR 200.A O no hydrogen 2.953 N/A VAL 178.A N ALA 125.A O no hydrogen 3.260 N/A SER 180.A N GLU 183.A OE1.A no hydrogen 2.930 N/A SER 180.A N GLU 183.A OE1.B no hydrogen 2.914 N/A SER 180.A OG THR 182.A OG1.A no hydrogen 3.418 N/A THR 182.A OG1.A SER 180.A OG no hydrogen 3.418 N/A GLU 183.A N SER 180.A OG no hydrogen 3.087 N/A LEU 184.A N SER 180.A O no hydrogen 2.881 N/A ALA 185.A N PRO 181.A O no hydrogen 2.982 N/A GLU 186.A N THR 182.A O.A no hydrogen 2.721 N/A GLU 186.A N THR 182.A O.B no hydrogen 2.979 N/A LYS 187.A NZ GLN 219.A O no hydrogen 2.862 N/A GLY 188.A N ALA 185.A O no hydrogen 3.029 N/A TYR 189.A N GLU 186.A O no hydrogen 3.132 N/A TYR 189.A OH GLU 186.A OE2.B no hydrogen 3.374 N/A THR 191.A N LYS 187.A O no hydrogen 3.059 N/A THR 191.A OG1 LYS 187.A O no hydrogen 2.915 N/A THR 191.A OG1 GLY 188.A O no hydrogen 3.321 N/A ILE 193.A N LEU 190.A O no hydrogen 2.960 N/A VAL 194.A N LEU 190.A O no hydrogen 2.855 N/A LEU 197.A N VAL 194.A O no hydrogen 3.139 N/A ALA 198.A N THR 173.A O no hydrogen 3.089 N/A TYR 200.A N LEU 175.A O no hydrogen 2.822 N/A TYR 200.A OH ASP 117.A OD2 no hydrogen 2.611 N/A ALA 201.A N GLN 223.A O no hydrogen 2.838 N/A SER 203.A N GLU 107.A OE2 no hydrogen 2.847 N/A SER 203.A OG GLU 107.A OE1 no hydrogen 2.589 N/A SER 203.A OG GLU 107.A OE2 no hydrogen 3.354 N/A ARG 204.A N SER 202.A OG no hydrogen 3.276 N/A ALA 205.A N SER 202.A O no hydrogen 2.936 N/A SER 206.A N SER 203.A O no hydrogen 2.948 N/A THR 210.A OG1 ALA 207.A O no hydrogen 3.465 N/A ASN 211.A N ALA 207.A O no hydrogen 2.930 N/A ASN 211.A ND2 SER 206.A OG no hydrogen 2.806 N/A ASN 211.A ND2 TYR 249.A OH no hydrogen 3.132 N/A THR 212.A N SER 208.A O no hydrogen 3.225 N/A THR 212.A OG1 SER 208.A O no hydrogen 3.129 N/A THR 212.A OG1 ALA 209.A O no hydrogen 3.421 N/A ASN 213.A N THR 210.A O no hydrogen 3.000 N/A PHE 216.A N ASN 213.A OD1 no hydrogen 2.845 N/A ILE 217.A N ASN 213.A O no hydrogen 3.038 N/A ALA 218.A N THR 214.A O no hydrogen 3.034 N/A GLN 219.A N ASP 215.A O no hydrogen 2.954 N/A GLY 221.A N TYR 300.A O no hydrogen 2.826 N/A GLN 223.A N ILE 199.A O no hydrogen 3.059 N/A PHE 224.A N TYR 298.A O no hydrogen 2.847 N/A SER 225.A N ALA 201.A O no hydrogen 3.174 N/A SER 225.A OG GLU 107.A OE2 no hydrogen 2.638 N/A ASP 226.A N THR 296.A O no hydrogen 2.870 N/A ILE 227.A N ASP 226.A OD1 no hydrogen 2.774 N/A PHE 229.A N LEU 280.A O no hydrogen 3.202 N/A PHE 230.A N ILE 227.A O no hydrogen 3.334 N/A LYS 231.A N PRO 228.A O no hydrogen 2.980 N/A SER 235.A OG GLN 237.A OE1 no hydrogen 3.529 N/A GLN 237.A N GLN 237.A OE1 no hydrogen 2.803 N/A TYR 238.A N SER 235.A OG no hydrogen 2.956 N/A GLN 239.A N SER 235.A O no hydrogen 2.913 N/A GLN 239.A NE2 ASN 234.A O no hydrogen 2.908 N/A LYS 240.A N PRO 236.A O no hydrogen 2.895 N/A LEU 241.A N GLN 237.A O no hydrogen 3.123 N/A ALA 242.A N TYR 238.A O no hydrogen 2.826 N/A LYS 243.A N GLN 239.A O no hydrogen 2.891 N/A SER 244.A N LYS 240.A O no hydrogen 2.974 N/A SER 244.A OG LYS 240.A O no hydrogen 3.428 N/A SER 244.A OG LEU 241.A O no hydrogen 2.836 N/A THR 245.A N LEU 241.A O no hydrogen 2.969 N/A THR 245.A OG1 LEU 241.A O no hydrogen 2.911 N/A THR 245.A OG1 ALA 242.A O no hydrogen 3.351 N/A GLY 246.A N LYS 243.A O no hydrogen 3.151 N/A GLY 247.A N ALA 242.A O no hydrogen 2.797 N/A GLU 248.A N THR 245.A O no hydrogen 3.079 N/A ARG 252.A NE ASP 226.A OD1 no hydrogen 2.893 N/A ARG 252.A NH1 SER 206.A O no hydrogen 3.094 N/A ARG 252.A NH1 ASP 226.A OD2 no hydrogen 2.738 N/A LEU 253.A N GLN 250.A O no hydrogen 3.263 N/A TYR 254.A N LEU 251.A O no hydrogen 2.956 N/A TYR 254.A OH ASP 26.A OD2 no hydrogen 2.525 N/A ALA 257.A N TYR 254.A O no hydrogen 3.087 N/A ASP 258.A N ALA 255.A O no hydrogen 2.927 N/A TRP 260.A N GLY 256.A O no hydrogen 3.275 N/A LEU 261.A N ALA 257.A O no hydrogen 3.229 N/A LEU 262.A N ASP 258.A O no hydrogen 2.827 N/A ILE 263.A N ALA 259.A O no hydrogen 2.929 N/A ASN 264.A N TRP 260.A O no hydrogen 3.333 N/A ASN 264.A ND2 TRP 260.A O no hydrogen 2.899 N/A GLN 265.A N LEU 262.A O no hydrogen 2.993 N/A PHE 266.A N ILE 263.A O no hydrogen 3.348 N/A GLU 268.A N GLU 268.A OE2 no hydrogen 2.825 N/A LEU 269.A N GLN 265.A O no hydrogen 2.924 N/A ARG 270.A N PHE 266.A O no hydrogen 3.166 N/A GLN 271.A N ASN 267.A O no hydrogen 2.921 N/A GLN 271.A N GLU 268.A O no hydrogen 3.288 N/A VAL 272.A N GLU 268.A O no hydrogen 2.887 N/A TYR 275.A N VAL 272.A O no hydrogen 3.157 N/A ARG 276.A NH1 ASP 295.A OD2.B no hydrogen 2.565 N/A ARG 276.A NH2 ASP 295.A OD2.B no hydrogen 2.942 N/A LEU 277.A N LEU 284.A O no hydrogen 2.918 N/A GLY 279.A N GLY 282.A O no hydrogen 2.908 N/A LEU 280.A N ASP 258.A OD1 no hydrogen 2.775 N/A THR 281.A N ASP 258.A OD2 no hydrogen 2.777 N/A THR 281.A OG1 TYR 100.A OH no hydrogen 2.695 N/A THR 281.A OG1 ASP 258.A OD2 no hydrogen 2.622 N/A ILE 283.A N ASP 295.A O.A no hydrogen 3.155 N/A ILE 283.A N ASP 295.A O.B no hydrogen 3.083 N/A LEU 284.A N LEU 277.A O no hydrogen 2.743 N/A SER 285.A N GLU 293.A O no hydrogen 3.059 N/A ASP 287.A N ASN 291.A O no hydrogen 2.954 N/A ASN 289.A N ASP 287.A OD2 no hydrogen 2.876 N/A CYS 290.A N ASP 287.A O no hydrogen 2.906 N/A ASN 291.A N ASP 287.A OD2 no hydrogen 2.965 N/A VAL 292.A N TYR 99.A O no hydrogen 2.776 N/A GLU 293.A N SER 285.A O no hydrogen 2.685 N/A ARG 294.A NE ASP 106.A OD2 no hydrogen 2.830 N/A ARG 294.A NH1 THR 281.A O no hydrogen 3.194 N/A ARG 294.A NH2 SER 103.A O no hydrogen 3.185 N/A ARG 294.A NH2 ASP 106.A OD2 no hydrogen 3.564 N/A ASP 295.A N.A ILE 283.A O no hydrogen 2.875 N/A ASP 295.A N.B ILE 283.A O no hydrogen 2.896 N/A THR 296.A N ASP 226.A O no hydrogen 3.033 N/A TRP 297.A NE1 SER 110.A OG.B no hydrogen 3.311 N/A TYR 298.A N PHE 224.A O no hydrogen 2.846 N/A TYR 298.A OH ILE 227.A O no hydrogen 2.755 N/A GLN 299.A N VAL 306.A O no hydrogen 2.823 N/A GLN 299.A NE2 GLY 221.A O no hydrogen 2.947 N/A TYR 300.A N VAL 222.A O no hydrogen 3.052 N/A TYR 300.A OH ASN 211.A OD1 no hydrogen 2.711 N/A GLN 301.A N ALA 304.A O no hydrogen 2.742 N/A ASP 302.A N ASN 220.A OD1 no hydrogen 2.919 N/A ALA 304.A N GLN 301.A O no hydrogen 3.056 N/A VAL 306.A N GLN 299.A O no hydrogen 2.960 N/A VAL 308.A N TRP 297.A O no hydrogen 2.812 N/A