Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N GLU 102.A O no hydrogen 3.023 N/A ASP 3.A N ASN 27.A O no hydrogen 2.868 N/A CYS 4.A N ASN 27.A O no hydrogen 3.313 N/A ALA 5.A N SER 105.A O no hydrogen 2.986 N/A ILE 6.A N VAL 29.A O no hydrogen 2.814 N/A ILE 7.A N ILE 107.A O no hydrogen 2.821 N/A GLY 8.A N PHE 31.A O no hydrogen 2.861 N/A GLY 9.A N GLU 32.A OE1 no hydrogen 2.732 N/A LEU 14.A N GLY 10.A O no hydrogen 2.948 N/A SER 15.A N PRO 11.A O no hydrogen 2.908 N/A SER 15.A OG ALA 294.A O no hydrogen 2.710 N/A ALA 16.A N ALA 12.A O no hydrogen 2.843 N/A GLY 17.A N GLY 13.A O no hydrogen 2.836 N/A LEU 18.A N LEU 14.A O no hydrogen 2.989 N/A TYR 19.A N SER 15.A O no hydrogen 2.938 N/A ALA 20.A N ALA 16.A O no hydrogen 2.865 N/A THR 21.A N GLY 17.A O no hydrogen 3.022 N/A THR 21.A OG1 GLY 17.A O no hydrogen 2.680 N/A THR 21.A OG1 LEU 18.A O no hydrogen 3.334 N/A ARG 22.A N LEU 18.A O no hydrogen 2.905 N/A GLY 23.A N TYR 19.A O no hydrogen 2.869 N/A GLY 24.A N THR 21.A O no hydrogen 3.132 N/A VAL 25.A N ALA 20.A O no hydrogen 3.075 N/A ASN 27.A ND2 MET 1.A O no hydrogen 3.436 N/A VAL 29.A N CYS 4.A O no hydrogen 2.996 N/A LEU 30.A N LYS 75.A O no hydrogen 2.741 N/A PHE 31.A N ILE 6.A O no hydrogen 2.749 N/A GLU 32.A N GLU 77.A O no hydrogen 3.119 N/A GLY 37.A N GLY 9.A O no hydrogen 2.772 N/A THR 41.A N GLY 38.A O no hydrogen 3.213 N/A THR 41.A OG1 GLY 38.A O no hydrogen 2.888 N/A GLY 42.A N GLN 39.A O no hydrogen 3.019 N/A SER 43.A N ILE 40.A O no hydrogen 2.925 N/A SER 43.A OG GLU 45.A O no hydrogen 3.018 N/A SER 44.A N GLY 127.A O no hydrogen 2.997 N/A SER 44.A OG GLY 127.A O no hydrogen 2.629 N/A GLU 45.A N SER 43.A OG no hydrogen 3.203 N/A ILE 46.A N VAL 56.A O no hydrogen 2.842 N/A VAL 52.A N TYR 49.A O no hydrogen 3.178 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.864 N/A GLY 58.A N SER 43.A O no hydrogen 2.898 N/A ASP 60.A N SER 57.A OG no hydrogen 3.151 N/A PHE 61.A N SER 57.A O no hydrogen 2.811 N/A MET 62.A N GLY 58.A O no hydrogen 2.991 N/A GLN 63.A N ASP 60.A O no hydrogen 3.397 N/A TRP 65.A N MET 62.A O no hydrogen 3.024 N/A GLN 66.A N GLN 63.A O no hydrogen 3.233 N/A GLN 68.A N PRO 64.A O no hydrogen 3.197 N/A CYS 69.A N TRP 65.A O no hydrogen 2.777 N/A CYS 69.A SG LEU 14.A O no hydrogen 3.316 N/A PHE 70.A N GLN 66.A O no hydrogen 3.207 N/A ARG 71.A N GLN 68.A O no hydrogen 3.261 N/A ARG 71.A NE GLU 67.A OE2 no hydrogen 2.944 N/A ARG 71.A NH2 GLU 67.A OE1 no hydrogen 2.889 N/A LYS 75.A N ALA 28.A O no hydrogen 2.989 N/A LYS 75.A NZ LYS 26.A O no hydrogen 3.477 N/A GLU 77.A N LEU 30.A O no hydrogen 2.752 N/A THR 79.A OG1 ALA 80.A O no hydrogen 3.390 N/A GLN 82.A N LEU 94.A O no hydrogen 2.706 N/A ARG 83.A N LEU 94.A O no hydrogen 3.149 N/A ARG 83.A NE LYS 247.A O no hydrogen 3.045 N/A VAL 84.A N VAL 245.A O no hydrogen 2.921 N/A SER 85.A N VAL 92.A O no hydrogen 3.009 N/A SER 85.A OG GLN 248.A OE1 no hydrogen 2.660 N/A LYS 86.A NZ GLN 274.A O no hydrogen 3.028 N/A LYS 87.A N HIS 90.A O no hydrogen 2.855 N/A HIS 90.A N LYS 87.A O no hydrogen 2.989 N/A PHE 91.A N ALA 103.A O no hydrogen 2.832 N/A VAL 92.A N SER 85.A O no hydrogen 2.847 N/A ILE 93.A N PHE 101.A O no hydrogen 2.675 N/A LEU 94.A N ARG 83.A O no hydrogen 2.893 N/A ALA 95.A N LYS 99.A O no hydrogen 2.851 N/A GLU 96.A N ALA 80.A O no hydrogen 2.783 N/A GLY 98.A N ALA 95.A O no hydrogen 2.960 N/A LYS 99.A N ASP 97.A OD2 no hydrogen 3.129 N/A LYS 99.A NZ ASP 97.A OD1 no hydrogen 3.347 N/A PHE 101.A N ILE 93.A O no hydrogen 2.955 N/A ALA 103.A N PHE 91.A O no hydrogen 2.923 N/A LYS 104.A N ILE 2.A O no hydrogen 2.826 N/A SER 105.A OG ASP 3.A O no hydrogen 2.958 N/A VAL 106.A N GLY 275.A O no hydrogen 2.988 N/A ILE 107.A N ALA 5.A O no hydrogen 2.878 N/A ILE 108.A N PHE 277.A O no hydrogen 2.811 N/A ALA 109.A N ILE 7.A O no hydrogen 2.781 N/A THR 110.A OG1 ASN 242.A O no hydrogen 2.742 N/A SER 113.A N ASP 240.A O no hydrogen 2.897 N/A SER 113.A OG ASN 242.A OD1 no hydrogen 2.973 N/A LYS 115.A N GLY 238.A O no hydrogen 2.794 N/A THR 117.A N GLU 122.A OE1 no hydrogen 3.221 N/A THR 117.A N GLU 122.A OE2 no hydrogen 2.834 N/A THR 117.A OG1 GLU 122.A OE2 no hydrogen 2.699 N/A GLY 118.A N GLU 122.A OE1 no hydrogen 2.832 N/A ILE 119.A N THR 117.A OG1 no hydrogen 3.089 N/A GLU 122.A N ILE 119.A O no hydrogen 2.891 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.837 N/A TYR 125.A N GLY 121.A O no hydrogen 2.939 N/A GLY 127.A N VAL 130.A O no hydrogen 2.884 N/A LYS 128.A N TYR 125.A O no hydrogen 2.821 N/A LYS 128.A NZ GLU 124.A O no hydrogen 3.552 N/A VAL 130.A N TYR 125.A O no hydrogen 3.207 N/A SER 131.A N PHE 233.A O no hydrogen 2.989 N/A SER 131.A OG CYS 133.A O no hydrogen 3.167 N/A SER 131.A OG ASP 137.A OD2 no hydrogen 2.640 N/A CYS 133.A N SER 131.A OG no hydrogen 2.967 N/A CYS 133.A SG THR 135.A OG1 no hydrogen 3.328 N/A CYS 133.A SG GLN 289.A OE1 no hydrogen 3.836 N/A THR 135.A OG1 GLN 289.A OE1 no hydrogen 3.276 N/A CYS 136.A SG GLN 289.A OE1 no hydrogen 3.527 N/A ASP 137.A N CYS 133.A O no hydrogen 3.084 N/A GLY 138.A N ALA 134.A O no hydrogen 2.775 N/A PHE 140.A N ASP 137.A O no hydrogen 3.276 N/A TYR 141.A N GLY 138.A O no hydrogen 2.876 N/A LYS 142.A N PHE 139.A O no hydrogen 3.144 N/A ASN 143.A N ILE 165.A O no hydrogen 3.178 N/A LYS 144.A N TYR 141.A O no hydrogen 2.822 N/A LYS 144.A NZ PHE 140.A O no hydrogen 2.803 N/A VAL 146.A N LYS 168.A O no hydrogen 2.986 N/A ALA 147.A N GLY 232.A O no hydrogen 3.043 N/A VAL 148.A N TYR 170.A O no hydrogen 2.769 N/A LEU 149.A N PHE 234.A O no hydrogen 2.794 N/A GLY 150.A N ILE 172.A O no hydrogen 3.019 N/A VAL 156.A N GLY 152.A O no hydrogen 3.177 N/A GLU 157.A N ASP 153.A O no hydrogen 2.915 N/A GLU 158.A N THR 154.A O no hydrogen 2.844 N/A ALA 159.A N ALA 155.A O no hydrogen 2.926 N/A ILE 160.A N VAL 156.A O no hydrogen 3.041 N/A TYR 161.A N GLU 157.A O no hydrogen 2.966 N/A LEU 162.A N GLU 158.A O no hydrogen 2.822 N/A ALA 163.A N ALA 159.A O no hydrogen 2.971 N/A ASN 164.A N TYR 161.A O no hydrogen 3.117 N/A ILE 165.A N LEU 162.A O no hydrogen 2.999 N/A CYS 166.A N LEU 162.A O no hydrogen 2.765 N/A CYS 166.A SG TYR 141.A O no hydrogen 3.583 N/A CYS 166.A SG LEU 162.A O no hydrogen 3.499 N/A LYS 167.A N LYS 144.A O no hydrogen 2.729 N/A LYS 168.A NZ TYR 170.A OH no hydrogen 3.053 N/A LYS 168.A NZ GLU 195.A OE1 no hydrogen 2.588 N/A VAL 169.A N LYS 193.A O no hydrogen 2.866 N/A TYR 170.A N VAL 146.A O no hydrogen 2.786 N/A TYR 170.A OH GLU 145.A OE1 no hydrogen 3.365 N/A LEU 171.A N GLU 195.A O no hydrogen 2.796 N/A ILE 172.A N VAL 148.A O no hydrogen 2.805 N/A HIS 173.A N LEU 197.A O no hydrogen 3.094 N/A ARG 179.A N GLY 151.A O no hydrogen 2.747 N/A CYS 180.A SG ALA 181.A O no hydrogen 3.628 N/A ALA 181.A N ASP 153.A OD1 no hydrogen 2.773 N/A LEU 185.A N ALA 181.A O no hydrogen 3.177 N/A GLU 186.A N PRO 182.A O no hydrogen 2.973 N/A HIS 187.A N ILE 183.A O no hydrogen 2.976 N/A ALA 188.A N THR 184.A O no hydrogen 2.985 N/A LYS 189.A N LEU 185.A O no hydrogen 2.754 N/A ASN 190.A N GLU 186.A O no hydrogen 3.109 N/A ASN 190.A N HIS 187.A O no hydrogen 3.053 N/A ASN 190.A ND2 GLU 186.A O no hydrogen 2.658 N/A ASN 191.A N ALA 188.A O no hydrogen 3.194 N/A LYS 193.A N ASN 191.A OD1 no hydrogen 2.861 N/A LYS 193.A NZ ALA 163.A O no hydrogen 2.813 N/A LYS 193.A NZ CYS 166.A O no hydrogen 2.790 N/A ILE 194.A N ASN 191.A O no hydrogen 3.039 N/A GLU 195.A N VAL 169.A O no hydrogen 2.822 N/A LEU 197.A N LEU 171.A O no hydrogen 2.757 N/A THR 198.A OG1 ASP 176.A OD2 no hydrogen 2.737 N/A TYR 200.A N HIS 173.A O no hydrogen 2.843 N/A VAL 201.A N LYS 218.A O no hydrogen 2.957 N/A GLU 203.A N SER 216.A O no hydrogen 2.701 N/A GLU 204.A N SER 216.A O no hydrogen 3.419 N/A ILE 205.A N LYS 120.A O no hydrogen 2.876 N/A LYS 206.A N SER 214.A O no hydrogen 2.802 N/A LYS 206.A NZ GLU 227.A OE2 no hydrogen 3.228 N/A ASP 208.A N GLY 211.A O no hydrogen 2.847 N/A SER 210.A N ASP 208.A OD2 no hydrogen 2.777 N/A SER 210.A OG ASP 208.A OD2 no hydrogen 2.613 N/A GLY 211.A N ASP 208.A O no hydrogen 2.914 N/A GLY 211.A N ASP 208.A OD2 no hydrogen 3.267 N/A VAL 212.A N LYS 128.A O no hydrogen 3.097 N/A SER 213.A N LYS 206.A O no hydrogen 2.805 N/A SER 214.A N LYS 206.A O no hydrogen 3.179 N/A SER 214.A OG GLU 227.A OE2 no hydrogen 3.146 N/A LEU 215.A N LEU 228.A O no hydrogen 2.792 N/A SER 216.A N GLU 204.A O no hydrogen 2.906 N/A ILE 217.A N ARG 226.A O no hydrogen 2.892 N/A LYS 218.A N VAL 201.A O no hydrogen 2.826 N/A ASN 219.A N GLU 224.A O no hydrogen 2.879 N/A THR 220.A N PRO 199.A O no hydrogen 2.952 N/A THR 220.A OG1 PRO 199.A O no hydrogen 3.098 N/A ALA 221.A N ASN 219.A OD1 no hydrogen 3.231 N/A ASN 223.A N ASN 219.A O no hydrogen 2.525 N/A ARG 226.A N ILE 217.A O no hydrogen 3.078 N/A LEU 228.A N LEU 215.A O no hydrogen 2.806 N/A PHE 233.A N GLY 129.A O no hydrogen 2.765 N/A PHE 234.A N ALA 147.A O no hydrogen 2.779 N/A ILE 235.A N SER 131.A O no hydrogen 2.845 N/A PHE 236.A N LEU 149.A O no hydrogen 2.919 N/A ASP 240.A N SER 113.A O no hydrogen 2.954 N/A ASN 242.A N GLY 111.A O no hydrogen 2.977 N/A ASN 242.A ND2 THR 110.A O no hydrogen 2.790 N/A ASN 243.A ND2 GLY 261.A O no hydrogen 3.074 N/A LEU 246.A N ASN 243.A O no hydrogen 3.041 N/A LYS 247.A N ALA 244.A O no hydrogen 3.190 N/A GLN 248.A N SER 252.A O no hydrogen 2.900 N/A GLN 248.A NE2 VAL 84.A O no hydrogen 2.948 N/A GLN 248.A NE2 LEU 246.A O no hydrogen 2.846 N/A ASN 251.A N GLN 248.A O no hydrogen 2.794 N/A SER 252.A N ASP 250.A OD1 no hydrogen 2.816 N/A SER 252.A OG ASP 250.A OD1 no hydrogen 2.431 N/A SER 252.A OG ASP 250.A OD2 no hydrogen 3.334 N/A LEU 254.A N LEU 246.A O no hydrogen 2.906 N/A LYS 256.A N ASN 272.A OD1 no hydrogen 2.954 N/A CYS 257.A SG CYS 255.A O no hydrogen 3.666 N/A CYS 257.A SG GLY 261.A O no hydrogen 3.446 N/A ASP 258.A N SER 262.A O no hydrogen 2.842 N/A TYR 260.A N ASP 258.A OD1 no hydrogen 2.955 N/A GLY 261.A N ASP 258.A O no hydrogen 2.991 N/A SER 262.A N ASP 258.A OD1 no hydrogen 3.040 N/A ILE 263.A N ILE 282.A O no hydrogen 2.841 N/A VAL 264.A N LYS 256.A O no hydrogen 3.067 N/A ASP 266.A N LYS 270.A O no hydrogen 3.160 N/A SER 268.A N ASP 266.A OD1 no hydrogen 2.779 N/A MET 269.A N ASP 266.A O no hydrogen 2.843 N/A LYS 270.A N ASP 266.A OD1 no hydrogen 3.065 N/A THR 271.A N LEU 276.A O no hydrogen 3.115 N/A THR 271.A OG1 VAL 273.A O no hydrogen 3.274 N/A THR 271.A OG1 LEU 276.A O no hydrogen 2.707 N/A VAL 273.A N THR 271.A OG1 no hydrogen 3.084 N/A LEU 276.A N VAL 273.A O no hydrogen 3.195 N/A PHE 277.A N VAL 106.A O no hydrogen 2.907 N/A ALA 278.A N MET 269.A O no hydrogen 3.009 N/A ALA 279.A N ILE 108.A O no hydrogen 2.935 N/A GLY 280.A N ASP 296.A OD2 no hydrogen 2.856 N/A ARG 283.A N GLY 280.A O no hydrogen 3.116 N/A ARG 283.A NE ASP 296.A OD2 no hydrogen 2.833 N/A ARG 283.A NH1 ILE 284.A O no hydrogen 2.796 N/A ARG 283.A NH2 ASP 296.A OD1 no hydrogen 2.899 N/A ARG 283.A NH2 ASP 296.A OD2 no hydrogen 3.417 N/A ILE 284.A N ILE 263.A O no hydrogen 2.860 N/A ALA 286.A N ARG 283.A O no hydrogen 3.210 N/A ALA 293.A N GLN 289.A O no hydrogen 2.979 N/A ALA 294.A N VAL 290.A O no hydrogen 2.876 N/A SER 295.A N VAL 291.A O no hydrogen 2.958 N/A ASP 296.A N CYS 292.A O no hydrogen 2.972 N/A GLY 297.A N ALA 293.A O no hydrogen 2.974 N/A ALA 298.A N ALA 294.A O no hydrogen 3.011 N/A THR 299.A N SER 295.A O no hydrogen 2.902 N/A THR 299.A OG1 SER 295.A O no hydrogen 2.877 N/A ALA 300.A N ASP 296.A O no hydrogen 2.828 N/A ALA 301.A N GLY 297.A O no hydrogen 2.912 N/A LEU 302.A N ALA 298.A O no hydrogen 2.987 N/A SER 303.A N THR 299.A O no hydrogen 2.968 N/A SER 303.A OG SER 268.A O no hydrogen 2.663 N/A SER 303.A OG THR 299.A O no hydrogen 3.327 N/A VAL 304.A N ALA 300.A O no hydrogen 2.764 N/A ILE 305.A N ALA 301.A O no hydrogen 2.902 N/A SER 306.A N LEU 302.A O no hydrogen 3.120 N/A SER 306.A OG LEU 302.A O no hydrogen 3.459 N/A TYR 307.A N SER 303.A O no hydrogen 2.891 N/A LEU 308.A N VAL 304.A O no hydrogen 2.919 N/A GLU 309.A N ILE 305.A O no hydrogen 3.315 N/A GLU 309.A N SER 306.A O no hydrogen 3.243 N/A HIS 310.A N TYR 307.A O no hydrogen 3.316 N/A