Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gtk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 1.A OD2 no hydrogen 3.086 N/A LEU 4.A N VAL 33.A O no hydrogen 2.935 N/A ARG 5.A N ASP 57.A OD2 no hydrogen 2.888 N/A ARG 5.A NE ASP 57.A OD2 no hydrogen 3.073 N/A ARG 5.A NH1 ASN 54.A O no hydrogen 2.817 N/A ARG 5.A NH2 ASN 54.A O no hydrogen 3.105 N/A ARG 5.A NH2 ASP 57.A OD1 no hydrogen 2.960 N/A ILE 6.A N GLU 35.A O no hydrogen 2.827 N/A ALA 7.A N ILE 58.A O no hydrogen 2.793 N/A THR 8.A N VAL 37.A O no hydrogen 3.411 N/A THR 8.A OG1 ARG 9.A O no hydrogen 2.638 N/A THR 8.A OG1 ALA 14.A O no hydrogen 3.418 N/A ARG 9.A NH2 ASN 132.A OD1 no hydrogen 3.529 N/A ALA 14.A N SER 11.A OG no hydrogen 3.030 N/A LEU 15.A N SER 11.A O no hydrogen 2.860 N/A TRP 16.A N PRO 12.A O no hydrogen 2.887 N/A GLN 17.A N LEU 13.A O no hydrogen 3.083 N/A GLN 17.A NE2 SER 62.A OG no hydrogen 2.904 N/A ALA 18.A N ALA 14.A O no hydrogen 3.029 N/A HIS 19.A N LEU 15.A O no hydrogen 2.914 N/A HIS 19.A ND1 LEU 15.A O no hydrogen 3.035 N/A TYR 20.A N TRP 16.A O no hydrogen 2.955 N/A VAL 21.A N GLN 17.A O no hydrogen 3.037 N/A LYS 22.A N ALA 18.A O no hydrogen 2.835 N/A ASP 23.A N HIS 19.A O no hydrogen 2.800 N/A LYS 24.A N TYR 20.A O no hydrogen 3.124 N/A LEU 25.A N VAL 21.A O no hydrogen 2.960 N/A MET 26.A N LYS 22.A O no hydrogen 2.943 N/A ALA 27.A N ASP 23.A O no hydrogen 3.003 N/A SER 28.A N LYS 24.A O no hydrogen 3.066 N/A SER 28.A OG LYS 24.A O no hydrogen 3.567 N/A HIS 29.A N LEU 25.A O no hydrogen 2.848 N/A LEU 32.A N HIS 29.A O no hydrogen 3.079 N/A VAL 33.A N ASN 2.A O no hydrogen 2.974 N/A GLU 35.A N LEU 4.A O no hydrogen 2.919 N/A VAL 37.A N ILE 6.A O no hydrogen 2.841 N/A MET 39.A N THR 8.A O no hydrogen 2.905 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.586 N/A GLU 48.A N VAL 44.A O no hydrogen 2.977 N/A VAL 49.A N LYS 45.A O no hydrogen 2.887 N/A ALA 50.A N GLU 46.A O no hydrogen 3.131 N/A LEU 51.A N LEU 47.A O no hydrogen 3.050 N/A LEU 52.A N GLU 48.A O no hydrogen 3.009 N/A GLU 53.A N VAL 49.A O no hydrogen 3.159 N/A ASN 54.A N LEU 51.A O no hydrogen 3.175 N/A ARG 55.A N ALA 50.A O no hydrogen 2.977 N/A ARG 55.A NH1 GLU 53.A OE2 no hydrogen 3.088 N/A ASP 57.A N ARG 5.A O no hydrogen 2.740 N/A ILE 58.A N ARG 5.A O no hydrogen 3.118 N/A ALA 59.A N GLU 185.A O no hydrogen 2.835 N/A VAL 60.A N ALA 7.A O no hydrogen 3.237 N/A HIS 61.A N GLY 183.A O no hydrogen 2.938 N/A MET 63.A N ALA 181.A O no hydrogen 2.917 N/A ASP 65.A N SER 62.A O no hydrogen 2.922 N/A VAL 66.A N MET 63.A O no hydrogen 3.018 N/A LEU 74.A N PRO 71.A O no hydrogen 3.139 N/A GLY 75.A N CYS 186.A O no hydrogen 3.212 N/A VAL 77.A N ILE 184.A O no hydrogen 2.822 N/A THR 78.A N ILE 184.A O no hydrogen 3.309 N/A ILE 79.A N ASN 201.A OD1 no hydrogen 3.057 N/A CYS 80.A N VAL 182.A O no hydrogen 2.983 N/A CYS 80.A SG LEU 200.A O no hydrogen 3.849 N/A ARG 82.A N THR 205.A OG1 no hydrogen 2.930 N/A ARG 82.A NE GLN 179.A O no hydrogen 2.830 N/A ARG 82.A NH1 GLU 212.A OE1 no hydrogen 3.433 N/A ARG 82.A NH1 GLU 212.A OE2 no hydrogen 2.689 N/A ARG 82.A NH2 GLN 179.A O no hydrogen 3.064 N/A ARG 82.A NH2 GLU 212.A OE1 no hydrogen 3.392 N/A ARG 82.A NH2 GLU 212.A OE2 no hydrogen 3.410 N/A GLU 83.A N GLY 180.A O no hydrogen 2.908 N/A ARG 86.A N ASP 84.A OD1 no hydrogen 2.939 N/A ARG 86.A NE ASP 84.A OD1 no hydrogen 2.980 N/A ARG 86.A NE ASP 84.A OD2 no hydrogen 3.407 N/A ARG 86.A NH2 ASP 84.A OD2 no hydrogen 2.759 N/A ALA 88.A N LEU 150.A O no hydrogen 2.595 N/A PHE 89.A N ALA 166.A O no hydrogen 2.800 N/A VAL 90.A N ILE 148.A O no hydrogen 3.004 N/A SER 91.A OG TYR 94.A O no hydrogen 3.518 N/A SER 91.A OG ASP 146.A O no hydrogen 2.858 N/A ASN 92.A ND2 ASP 141.A OD1 no hydrogen 2.922 N/A TYR 94.A N SER 91.A OG no hydrogen 3.120 N/A ALA 99.A N SER 96.A O no hydrogen 3.146 N/A ALA 99.A N SER 96.A OG no hydrogen 3.067 N/A LEU 100.A N LEU 97.A O no hydrogen 3.036 N/A GLY 103.A N ASP 123.A O no hydrogen 2.871 N/A SER 104.A N PRO 101.A O no hydrogen 3.086 N/A SER 104.A OG PRO 101.A O no hydrogen 2.723 N/A ILE 105.A N ASP 146.A OD2 no hydrogen 2.918 N/A VAL 106.A N ILE 125.A O no hydrogen 2.922 N/A GLY 107.A N ALA 147.A O no hydrogen 2.871 N/A THR 108.A N ARG 127.A O no hydrogen 3.011 N/A SER 109.A OG SER 128.A OG no hydrogen 2.408 N/A SER 109.A OG LEU 129.A O no hydrogen 2.951 N/A SER 110.A N THR 108.A OG1 no hydrogen 2.942 N/A ARG 112.A NH1 ASP 87.A OD2 no hydrogen 2.881 N/A ARG 112.A NH1 LEU 174.A O no hydrogen 2.877 N/A ARG 112.A NH2 ASP 87.A OD1 no hydrogen 3.285 N/A ARG 113.A N SER 110.A OG no hydrogen 2.932 N/A ARG 113.A NE ASP 87.A OD1 no hydrogen 3.013 N/A ARG 113.A NH2 ASP 87.A OD1 no hydrogen 2.924 N/A GLN 114.A N SER 110.A O no hydrogen 2.904 N/A CYS 115.A N LEU 111.A O no hydrogen 3.001 N/A CYS 115.A SG LEU 111.A O no hydrogen 3.467 N/A CYS 115.A SG ARG 112.A O no hydrogen 3.450 N/A LEU 117.A N ARG 113.A O no hydrogen 3.194 N/A ALA 118.A N GLN 114.A O no hydrogen 2.980 N/A GLU 119.A N CYS 115.A O no hydrogen 2.988 N/A ARG 120.A N GLN 116.A O no hydrogen 3.449 N/A ARG 121.A N LEU 117.A O no hydrogen 2.829 N/A ARG 121.A NE ASP 123.A OD1 no hydrogen 2.873 N/A ARG 121.A NE ASP 123.A OD2 no hydrogen 3.466 N/A ARG 121.A NH1 LEU 97.A O no hydrogen 2.913 N/A ARG 121.A NH2 LEU 100.A O no hydrogen 2.755 N/A ARG 121.A NH2 ASP 123.A OD2 no hydrogen 2.942 N/A LEU 124.A N ARG 121.A O no hydrogen 3.156 N/A ILE 125.A N SER 104.A O no hydrogen 2.942 N/A ARG 127.A N VAL 106.A O no hydrogen 2.989 N/A SER 128.A OG SER 109.A OG no hydrogen 2.408 N/A LEU 129.A N SER 109.A OG no hydrogen 2.931 N/A ARG 136.A N ASN 132.A O no hydrogen 2.957 N/A ARG 136.A NE GLY 131.A O no hydrogen 2.890 N/A LEU 137.A N VAL 133.A O no hydrogen 2.981 N/A SER 138.A N GLY 134.A O no hydrogen 3.117 N/A SER 138.A OG GLY 134.A O no hydrogen 3.520 N/A LYS 139.A N THR 135.A O no hydrogen 3.042 N/A LEU 140.A N ARG 136.A O no hydrogen 3.174 N/A ASP 141.A N LEU 137.A O no hydrogen 2.933 N/A ASN 142.A N SER 138.A O no hydrogen 2.823 N/A GLY 143.A N LEU 140.A O no hydrogen 3.026 N/A GLU 144.A N LYS 139.A O no hydrogen 2.999 N/A TYR 145.A OH SER 128.A O no hydrogen 2.674 N/A ASP 146.A N ILE 105.A O no hydrogen 2.828 N/A ALA 147.A N ILE 105.A O no hydrogen 3.198 N/A ILE 148.A N VAL 90.A O no hydrogen 3.034 N/A ILE 149.A N GLY 107.A O no hydrogen 3.283 N/A LEU 150.A N ALA 88.A O no hydrogen 3.144 N/A VAL 152.A N ARG 86.A O no hydrogen 2.976 N/A LEU 155.A N ALA 151.A O no hydrogen 3.402 N/A LYS 156.A N VAL 152.A O no hydrogen 3.040 N/A LYS 156.A NZ GLU 83.A OE1 no hydrogen 3.562 N/A LYS 156.A NZ GLU 83.A OE2 no hydrogen 2.718 N/A ARG 157.A N ALA 153.A O no hydrogen 3.075 N/A ARG 157.A NH2 GLY 180.A O no hydrogen 2.995 N/A LEU 158.A N GLY 154.A O no hydrogen 3.192 N/A GLY 159.A N LYS 156.A O no hydrogen 3.158 N/A LEU 160.A N LEU 155.A O no hydrogen 2.835 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.901 N/A ARG 163.A N LEU 160.A O no hydrogen 2.917 N/A ARG 163.A NH1 ASP 141.A OD1 no hydrogen 2.896 N/A ARG 163.A NH2 ASP 141.A OD2 no hydrogen 3.011 N/A ILE 164.A N GLU 161.A O no hydrogen 3.081 N/A ARG 165.A N PHE 89.A O no hydrogen 2.965 N/A ARG 165.A NE TYR 94.A O no hydrogen 3.005 N/A ARG 165.A NH2 TYR 94.A O no hydrogen 3.524 N/A ALA 166.A N PHE 89.A O no hydrogen 3.349 N/A LEU 168.A N ASP 87.A O no hydrogen 2.874 N/A ILE 172.A N PRO 169.A O no hydrogen 2.894 N/A SER 173.A N PRO 169.A O no hydrogen 3.133 N/A SER 173.A OG ASP 87.A OD2 no hydrogen 2.543 N/A GLY 178.A N GLU 212.A OE1 no hydrogen 2.839 N/A GLN 179.A N ALA 176.A O no hydrogen 2.978 N/A ALA 181.A N GLY 178.A O no hydrogen 2.959 N/A GLY 183.A N HIS 61.A O no hydrogen 2.831 N/A ILE 184.A N THR 78.A O no hydrogen 2.916 N/A GLU 185.A N ALA 59.A O no hydrogen 2.996 N/A CYS 186.A N GLY 75.A O no hydrogen 3.106 N/A CYS 186.A SG ARG 187.A O no hydrogen 3.461 N/A ARG 187.A NH1 LEU 51.A O no hydrogen 2.951 N/A ARG 187.A NH1 ALA 56.A O no hydrogen 2.929 N/A ARG 187.A NH2 ASP 57.A OD1 no hydrogen 3.099 N/A ARG 187.A NH2 ASP 190.A OD2 no hydrogen 3.001 N/A LEU 188.A N GLY 73.A O no hydrogen 2.773 N/A ASP 190.A N ARG 187.A O no hydrogen 3.055 N/A ARG 192.A NH1 VAL 3.A O no hydrogen 3.117 N/A ARG 192.A NH2 VAL 3.A O no hydrogen 3.191 N/A ARG 192.A NH2 THR 193.A OG1 no hydrogen 3.351 N/A THR 193.A N ASP 190.A OD1 no hydrogen 3.249 N/A THR 193.A OG1 ASP 190.A OD1 no hydrogen 3.227 N/A THR 193.A OG1 ASP 190.A OD2 no hydrogen 2.590 N/A ARG 194.A N ASP 190.A O no hydrogen 3.010 N/A ARG 194.A NH1 LEU 188.A O no hydrogen 3.017 N/A GLU 195.A N SER 191.A O no hydrogen 2.981 N/A LEU 196.A N ARG 192.A O no hydrogen 3.210 N/A LEU 197.A N THR 193.A O no hydrogen 3.061 N/A ALA 198.A N GLU 195.A O no hydrogen 3.232 N/A LEU 200.A N LEU 197.A O no hydrogen 2.845 N/A ASN 201.A N ALA 198.A O no hydrogen 3.294 N/A HIS 202.A N ILE 79.A O no hydrogen 2.943 N/A HIS 202.A ND1 THR 205.A OG1 no hydrogen 2.820 N/A THR 205.A N HIS 202.A ND1 no hydrogen 3.244 N/A THR 205.A OG1 HIS 202.A ND1 no hydrogen 2.820 N/A ALA 206.A N HIS 202.A O no hydrogen 2.859 N/A LEU 207.A N HIS 203.A O no hydrogen 2.841 N/A ARG 208.A N GLU 204.A O no hydrogen 3.140 N/A ARG 208.A NH1 ALA 231.A O no hydrogen 3.137 N/A VAL 209.A N THR 205.A O no hydrogen 2.906 N/A THR 210.A N ALA 206.A O no hydrogen 2.818 N/A THR 210.A OG1 ALA 206.A O no hydrogen 2.705 N/A ALA 211.A N LEU 207.A O no hydrogen 3.325 N/A GLU 212.A N ARG 208.A O no hydrogen 3.076 N/A ARG 213.A N VAL 209.A O no hydrogen 2.849 N/A ARG 213.A NH1 VAL 66.A O no hydrogen 2.850 N/A ARG 213.A NH1 PRO 67.A O no hydrogen 2.941 N/A ARG 213.A NH2 PRO 67.A O no hydrogen 2.773 N/A ALA 214.A N THR 210.A O no hydrogen 2.960 N/A MET 215.A N ALA 211.A O no hydrogen 3.200 N/A ASN 216.A N GLU 212.A O no hydrogen 3.164 N/A ASN 216.A ND2 GLU 212.A O no hydrogen 3.278 N/A THR 217.A N ARG 213.A O no hydrogen 2.744 N/A THR 217.A OG1 ARG 213.A O no hydrogen 2.960 N/A ARG 218.A N ALA 214.A O no hydrogen 3.101 N/A ARG 218.A NE GLU 273.A OE2 no hydrogen 2.870 N/A ARG 218.A NH1 ARG 218.A O no hydrogen 2.962 N/A LEU 219.A N MET 215.A O no hydrogen 3.136 N/A GLU 220.A N THR 217.A O no hydrogen 2.986 N/A GLY 221.A N ASN 216.A O no hydrogen 3.024 N/A CYS 223.A SG LYS 64.A O no hydrogen 3.614 N/A CYS 223.A SG ASP 65.A OD1 no hydrogen 3.712 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.576 N/A ILE 227.A N VAL 225.A O no hydrogen 2.822 N/A GLY 228.A N LEU 243.A O no hydrogen 2.840 N/A SER 229.A N PRO 175.A O no hydrogen 3.087 N/A SER 229.A OG GLU 212.A O no hydrogen 3.005 N/A TYR 230.A N ARG 241.A O no hydrogen 2.982 N/A TYR 230.A OH GLU 232.A OE2 no hydrogen 2.698 N/A ALA 231.A N GLU 212.A OE2 no hydrogen 2.762 N/A GLU 232.A N TRP 239.A O no hydrogen 2.907 N/A ILE 234.A N GLU 237.A O no hydrogen 2.846 N/A GLU 237.A N ILE 234.A O no hydrogen 3.007 N/A ILE 238.A N GLY 259.A O no hydrogen 2.883 N/A TRP 239.A N GLU 232.A O no hydrogen 2.851 N/A TRP 239.A NE1 GLU 256.A OE1 no hydrogen 2.911 N/A LEU 240.A N ARG 257.A O no hydrogen 2.934 N/A ARG 241.A N TYR 230.A O no hydrogen 2.978 N/A ARG 241.A NH1 GLU 171.A OE2 no hydrogen 3.025 N/A ALA 242.A N GLY 255.A O no hydrogen 3.124 N/A LEU 243.A N GLY 228.A O no hydrogen 2.959 N/A VAL 244.A N ILE 253.A O no hydrogen 2.869 N/A GLY 245.A N PRO 226.A O no hydrogen 3.091 N/A ALA 246.A N GLN 251.A O no hydrogen 2.952 N/A GLY 249.A N ALA 246.A O no hydrogen 2.870 N/A SER 250.A N ASP 248.A OD1 no hydrogen 2.952 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.546 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.458 N/A ILE 253.A N VAL 244.A O no hydrogen 2.785 N/A ARG 254.A NH1 GLU 119.A OE2 no hydrogen 3.029 N/A ARG 254.A NH2 GLU 119.A OE1 no hydrogen 2.773 N/A ARG 254.A NH2 GLU 119.A OE2 no hydrogen 3.487 N/A GLY 255.A N ALA 242.A O no hydrogen 3.107 N/A ARG 257.A N LEU 240.A O no hydrogen 2.812 N/A ARG 257.A NE SER 270.A OG no hydrogen 3.221 N/A ARG 257.A NH1 GLU 256.A O no hydrogen 3.163 N/A ARG 257.A NH1 GLU 274.A OE1 no hydrogen 2.661 N/A ARG 257.A NH2 SER 270.A OG no hydrogen 2.974 N/A ARG 257.A NH2 GLU 274.A OE1 no hydrogen 2.921 N/A GLY 259.A N ILE 238.A O no hydrogen 2.994 N/A GLN 262.A N GLN 262.A OE1 no hydrogen 2.874 N/A ASP 263.A N ALA 260.A O no hydrogen 2.836 N/A ALA 264.A N PRO 261.A O no hydrogen 3.100 N/A MET 267.A N ASP 263.A O no hydrogen 2.907 N/A GLY 268.A N ALA 264.A O no hydrogen 3.078 N/A ILE 269.A N GLU 265.A O no hydrogen 3.018 N/A SER 270.A N GLN 266.A O no hydrogen 2.890 N/A LEU 271.A N MET 267.A O no hydrogen 2.943 N/A ALA 272.A N GLY 268.A O no hydrogen 3.056 N/A GLU 273.A N ILE 269.A O no hydrogen 3.035 N/A GLU 274.A N SER 270.A O no hydrogen 3.025 N/A LEU 275.A N LEU 271.A O no hydrogen 3.038 N/A LEU 276.A N ALA 272.A O no hydrogen 2.901 N/A ASN 277.A N GLU 273.A O no hydrogen 3.026 N/A ASN 278.A N LEU 275.A O no hydrogen 2.997 N/A ALA 280.A N LEU 275.A O no hydrogen 2.944 N/A ARG 281.A N LEU 276.A O no hydrogen 3.361 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.853 N/A ILE 283.A N GLY 279.A O no hydrogen 3.440 N/A LEU 284.A N ALA 280.A O no hydrogen 2.972 N/A ALA 285.A N ARG 281.A O no hydrogen 3.127 N/A GLU 286.A N GLU 282.A O no hydrogen 3.287 N/A GLU 286.A N ILE 283.A O no hydrogen 3.132 N/A VAL 287.A N LEU 284.A O no hydrogen 2.672 N/A TYR 288.A N LEU 284.A O no hydrogen 2.792 N/A TYR 288.A OH LEU 219.A O no hydrogen 3.001 N/A GLY 290.A N ALA 285.A O no hydrogen 2.854 N/A ALA 294.A N GLU 220.A OE2 no hydrogen 3.111 N/A