Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gsh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 81.A OD2 no hydrogen 2.891 N/A LEU 4.A N GLU 34.A O no hydrogen 2.828 N/A GLY 5.A N VAL 82.A O no hydrogen 2.832 N/A ILE 6.A N HIS 36.A O no hydrogen 2.993 N/A VAL 7.A N LEU 84.A O no hydrogen 2.984 N/A MET 8.A N MET 38.A O no hydrogen 3.030 N/A ILE 11.A N TYR 37.A OH no hydrogen 3.040 N/A ASN 13.A N PRO 10.A O no hydrogen 2.989 N/A ILE 14.A N ILE 11.A O no hydrogen 3.459 N/A LYS 17.A N ASN 15.A OD1 no hydrogen 3.122 N/A LYS 17.A NZ ASN 15.A OD1 no hydrogen 2.981 N/A LYS 18.A N ASN 15.A O no hydrogen 3.073 N/A ASP 19.A N ASN 15.A O no hydrogen 2.974 N/A SER 20.A OG THR 268.A OG1 no hydrogen 3.102 N/A PHE 22.A N ASP 19.A OD2 no hydrogen 2.989 N/A ALA 23.A N ASP 19.A O no hydrogen 3.244 N/A MET 24.A N SER 20.A O no hydrogen 3.023 N/A LEU 25.A N SER 21.A O no hydrogen 2.973 N/A LEU 26.A N PHE 22.A O no hydrogen 3.021 N/A GLU 27.A N ALA 23.A O no hydrogen 3.332 N/A ALA 28.A N MET 24.A O no hydrogen 3.006 N/A GLN 29.A N LEU 25.A O no hydrogen 2.945 N/A GLN 29.A NE2 VAL 59.A O no hydrogen 2.850 N/A ARG 30.A N LEU 26.A O no hydrogen 2.897 N/A ARG 30.A NE GLU 27.A OE1 no hydrogen 3.007 N/A ARG 30.A NH2 GLU 27.A OE2 no hydrogen 2.961 N/A ARG 31.A N GLU 27.A O no hydrogen 3.044 N/A ARG 31.A N ALA 28.A O no hydrogen 3.254 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 2.825 N/A ARG 31.A NH1 ASP 287.A OD1 no hydrogen 3.038 N/A ARG 31.A NH1 GLU 290.A OE2 no hydrogen 3.281 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.387 N/A ARG 31.A NH2 ASP 287.A OD1 no hydrogen 3.059 N/A GLY 32.A N GLN 29.A O no hydrogen 2.927 N/A TYR 33.A N ALA 28.A O no hydrogen 2.992 N/A TYR 33.A OH GLU 290.A OE2 no hydrogen 2.865 N/A GLU 34.A N ILE 2.A O no hydrogen 2.775 N/A HIS 36.A N LEU 4.A O no hydrogen 2.702 N/A HIS 36.A ND1 THR 54.A OG1 no hydrogen 2.910 N/A HIS 36.A NE2 GLU 34.A OE1 no hydrogen 3.036 N/A TYR 37.A N ARG 55.A O no hydrogen 2.849 N/A TYR 37.A OH GLU 39.A OE2 no hydrogen 2.616 N/A MET 38.A N ILE 6.A O no hydrogen 2.899 N/A GLU 39.A N ASP 42.A OD2 no hydrogen 3.008 N/A ASP 42.A N GLU 39.A O no hydrogen 2.992 N/A LEU 43.A N MET 40.A O no hydrogen 3.245 N/A TYR 44.A N ARG 51.A O no hydrogen 2.915 N/A TYR 44.A OH ASP 74.A OD1 no hydrogen 3.063 N/A TYR 44.A OH ASP 74.A OD2 no hydrogen 2.920 N/A ILE 46.A N GLU 49.A O no hydrogen 2.993 N/A GLU 49.A N ILE 46.A O no hydrogen 2.871 N/A ARG 51.A N TYR 44.A O no hydrogen 3.079 N/A ARG 51.A NE GLU 49.A OE1 no hydrogen 3.209 N/A ARG 51.A NH1 ASP 74.A OD1 no hydrogen 2.825 N/A ARG 51.A NH2 GLU 49.A OE1 no hydrogen 3.486 N/A ALA 52.A N LEU 75.A O no hydrogen 2.949 N/A HIS 53.A N ASP 42.A O no hydrogen 3.127 N/A HIS 53.A NE2 GLU 72.A OE2 no hydrogen 2.817 N/A THR 54.A N GLN 73.A O no hydrogen 2.693 N/A THR 54.A OG1 HIS 36.A ND1 no hydrogen 2.910 N/A THR 54.A OG1 GLN 73.A OE1 no hydrogen 2.833 N/A ARG 55.A N TYR 37.A O no hydrogen 3.227 N/A THR 56.A N GLY 71.A O no hydrogen 2.935 N/A THR 56.A OG1 GLN 73.A OE1 no hydrogen 3.106 N/A LEU 57.A N LEU 35.A O no hydrogen 3.050 N/A ASN 58.A N SER 68.A O no hydrogen 2.867 N/A VAL 59.A N GLN 29.A OE1 no hydrogen 3.210 N/A LYS 60.A N TRP 66.A O no hydrogen 2.966 N/A LYS 60.A NZ GLU 65.A O no hydrogen 2.935 N/A LYS 60.A NZ GLU 65.A OE1 no hydrogen 3.090 N/A GLN 61.A NE2 ILE 16.A O no hydrogen 3.419 N/A GLN 61.A NE2 TYR 63.A OH no hydrogen 3.471 N/A ASN 62.A N LYS 60.A O no hydrogen 2.810 N/A GLU 65.A N ASN 62.A O no hydrogen 3.062 N/A TRP 66.A NE1 ILE 11.A O no hydrogen 3.035 N/A SER 68.A N ASN 58.A O no hydrogen 2.898 N/A VAL 70.A N THR 56.A O no hydrogen 2.948 N/A GLN 73.A N THR 54.A O no hydrogen 2.937 N/A LEU 75.A N ALA 52.A O no hydrogen 2.928 N/A LEU 77.A N ALA 50.A O no hydrogen 3.104 N/A ASP 79.A N PRO 76.A O no hydrogen 3.127 N/A LEU 80.A N LEU 77.A O no hydrogen 2.962 N/A ASP 81.A N LYS 3.A O no hydrogen 2.929 N/A VAL 82.A N LYS 3.A O no hydrogen 3.419 N/A ILE 83.A N LEU 111.A O no hydrogen 2.909 N/A LEU 84.A N GLY 5.A O no hydrogen 2.935 N/A MET 85.A N VAL 113.A O no hydrogen 2.891 N/A ARG 86.A N VAL 7.A O no hydrogen 2.851 N/A ARG 86.A NE SER 21.A OG no hydrogen 2.886 N/A ARG 86.A NH1 PRO 267.A O no hydrogen 2.940 N/A ARG 86.A NH2 SER 21.A OG no hydrogen 3.409 N/A ARG 86.A NH2 PRO 267.A O no hydrogen 2.979 N/A LYS 87.A NZ ASP 9.A OD1 no hydrogen 3.012 N/A LYS 87.A NZ ASP 88.A O no hydrogen 2.968 N/A ASP 88.A N ASP 9.A OD2 no hydrogen 2.868 N/A PHE 95.A N ASP 92.A OD1 no hydrogen 2.909 N/A ILE 96.A N ASP 92.A O no hydrogen 3.046 N/A TYR 97.A N THR 93.A O no hydrogen 2.805 N/A ALA 98.A N GLU 94.A O no hydrogen 2.980 N/A THR 99.A N PHE 95.A O no hydrogen 3.145 N/A THR 99.A OG1 PHE 95.A O no hydrogen 3.567 N/A TYR 100.A N TYR 97.A O no hydrogen 2.968 N/A ILE 101.A N TYR 97.A O no hydrogen 3.349 N/A LEU 102.A N ALA 98.A O no hydrogen 2.897 N/A GLU 103.A N THR 99.A O no hydrogen 2.954 N/A ARG 104.A N TYR 100.A O no hydrogen 3.162 N/A ARG 104.A N ILE 101.A O no hydrogen 3.173 N/A ARG 104.A NH1 GLY 48.A O no hydrogen 2.715 N/A ARG 104.A NH2 GLU 107.A OE1 no hydrogen 2.768 N/A ALA 105.A N LEU 102.A O no hydrogen 3.093 N/A GLU 106.A N LEU 102.A O no hydrogen 2.947 N/A GLU 107.A N GLU 103.A O no hydrogen 3.053 N/A LYS 108.A N ALA 105.A O no hydrogen 3.077 N/A GLY 109.A N GLU 106.A O no hydrogen 3.119 N/A THR 110.A N ALA 105.A O no hydrogen 3.313 N/A THR 110.A OG1 LEU 77.A O no hydrogen 3.277 N/A THR 110.A OG1 LEU 80.A O no hydrogen 3.030 N/A THR 110.A OG1 ALA 105.A O no hydrogen 3.465 N/A LEU 111.A N ASP 81.A O no hydrogen 3.055 N/A VAL 113.A N ILE 83.A O no hydrogen 2.952 N/A LYS 115.A N GLY 246.A O no hydrogen 3.239 N/A LYS 115.A NZ GLU 106.A OE2 no hydrogen 3.287 N/A SER 118.A OG LYS 245.A O no hydrogen 2.689 N/A LEU 119.A N LYS 115.A O no hydrogen 2.985 N/A ARG 120.A N PRO 116.A O no hydrogen 3.257 N/A ARG 120.A N GLN 117.A O no hydrogen 3.133 N/A ARG 120.A NH1 GLU 103.A OE1 no hydrogen 2.954 N/A ARG 120.A NH2 GLU 103.A OE1 no hydrogen 2.962 N/A ASP 121.A N GLN 117.A O no hydrogen 2.913 N/A CYS 122.A N SER 118.A O no hydrogen 2.853 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.199 N/A LYS 125.A NZ LEU 162.A O no hydrogen 3.351 N/A LEU 126.A N ASN 123.A OD1 no hydrogen 2.986 N/A PHE 127.A N ASN 123.A O no hydrogen 2.830 N/A THR 128.A OG1 LYS 125.A O no hydrogen 2.930 N/A ALA 129.A N LEU 126.A O no hydrogen 3.000 N/A TRP 130.A N PHE 127.A O no hydrogen 2.993 N/A PHE 131.A N THR 128.A O no hydrogen 3.103 N/A LEU 134.A N PHE 131.A O no hydrogen 2.890 N/A THR 135.A N SER 132.A O no hydrogen 3.354 N/A THR 135.A OG1 SER 132.A O no hydrogen 3.218 N/A THR 135.A OG1 PRO 136.A O no hydrogen 3.194 N/A GLU 137.A N ASN 195.A OD1 no hydrogen 2.829 N/A THR 138.A OG1 PRO 136.A O no hydrogen 2.904 N/A LEU 139.A N ALA 193.A O no hydrogen 2.869 N/A THR 141.A N CYS 191.A O no hydrogen 2.974 N/A THR 141.A OG1 GLN 146.A OE1 no hydrogen 2.823 N/A ASN 143.A N THR 141.A OG1 no hydrogen 3.092 N/A ASN 143.A ND2 GLN 146.A OE1 no hydrogen 2.997 N/A GLN 146.A N ASN 143.A O no hydrogen 3.081 N/A LEU 147.A N ASN 143.A O no hydrogen 3.160 N/A LYS 148.A N LYS 144.A O no hydrogen 2.902 N/A LYS 148.A NZ GLU 152.A OE2 no hydrogen 2.926 N/A ALA 149.A N ALA 145.A O no hydrogen 3.170 N/A PHE 150.A N GLN 146.A O no hydrogen 3.044 N/A TRP 151.A N LEU 147.A O no hydrogen 3.136 N/A GLU 152.A N LYS 148.A O no hydrogen 2.915 N/A LYS 153.A N ALA 149.A O no hydrogen 3.040 N/A HIS 154.A N PHE 150.A O no hydrogen 2.995 N/A SER 155.A N TRP 151.A O no hydrogen 2.772 N/A ASP 156.A N HIS 154.A O no hydrogen 2.795 N/A ILE 157.A N VAL 169.A O no hydrogen 2.905 N/A ILE 158.A N GLN 194.A O no hydrogen 2.896 N/A LEU 159.A N PHE 167.A O no hydrogen 2.888 N/A LYS 160.A N MET 192.A O no hydrogen 2.975 N/A LYS 160.A NZ GLU 261.A OE2 no hydrogen 3.112 N/A PHE 167.A N LEU 159.A O no hydrogen 2.956 N/A ARG 168.A NE ASP 156.A OD1 no hydrogen 2.964 N/A ARG 168.A NE ASP 156.A OD2 no hydrogen 3.449 N/A ARG 168.A NH2 ASP 156.A OD2 no hydrogen 2.816 N/A VAL 169.A N ILE 157.A O no hydrogen 2.795 N/A ASP 173.A N LYS 170.A O no hydrogen 3.189 N/A ASN 175.A N ASP 173.A OD1 no hydrogen 3.157 N/A ILE 179.A N ASN 175.A O no hydrogen 2.956 N/A ALA 180.A N LEU 176.A O no hydrogen 2.900 N/A GLU 181.A N GLY 177.A O no hydrogen 2.923 N/A THR 182.A N VAL 178.A O no hydrogen 2.892 N/A THR 182.A OG1 VAL 178.A O no hydrogen 2.902 N/A LEU 183.A N ILE 179.A O no hydrogen 2.938 N/A THR 184.A N ALA 180.A O no hydrogen 2.941 N/A THR 184.A OG1 ALA 180.A O no hydrogen 2.751 N/A HIS 186.A N GLU 181.A O no hydrogen 2.964 N/A GLY 187.A N THR 184.A OG1 no hydrogen 3.050 N/A THR 188.A N THR 184.A O no hydrogen 2.690 N/A THR 188.A N GLU 185.A O no hydrogen 3.361 N/A THR 188.A OG1 THR 184.A O no hydrogen 3.454 N/A THR 188.A OG1 GLU 185.A O no hydrogen 2.625 N/A ARG 189.A N THR 184.A O no hydrogen 2.779 N/A CYS 191.A N THR 141.A O no hydrogen 2.944 N/A CYS 191.A SG THR 141.A O no hydrogen 3.898 N/A MET 192.A N LYS 160.A O no hydrogen 3.074 N/A ALA 193.A N LEU 139.A O no hydrogen 2.859 N/A GLN 194.A N ILE 158.A O no hydrogen 3.072 N/A ASN 195.A N GLU 137.A O no hydrogen 3.317 N/A TYR 196.A N ASP 156.A O no hydrogen 2.919 N/A ILE 200.A N LEU 197.A O no hydrogen 3.028 N/A LYS 201.A N PRO 198.A O no hydrogen 3.130 N/A LYS 201.A NZ TYR 196.A OH no hydrogen 3.095 N/A ASP 202.A N ALA 199.A O no hydrogen 2.957 N/A GLY 203.A N ILE 200.A O no hydrogen 2.812 N/A ASP 204.A N ARG 221.A O no hydrogen 3.250 N/A LYS 205.A N ILE 254.A O no hydrogen 2.871 N/A LYS 205.A NZ ASP 231.A OD1 no hydrogen 2.848 N/A LYS 205.A NZ GLY 256.A O no hydrogen 3.142 N/A ARG 206.A N LEU 219.A O no hydrogen 2.794 N/A ARG 206.A NH2 ASP 204.A OD2 no hydrogen 3.554 N/A VAL 207.A N LEU 252.A O no hydrogen 3.090 N/A VAL 209.A N VAL 250.A O no hydrogen 3.004 N/A VAL 210.A N GLU 213.A O no hydrogen 2.910 N/A ASP 211.A N ILE 248.A O no hydrogen 2.845 N/A GLU 213.A N VAL 210.A O no hydrogen 2.997 N/A VAL 215.A N LEU 208.A O no hydrogen 2.847 N/A CYS 218.A N ARG 225.A O no hydrogen 2.774 N/A CYS 218.A SG ARG 225.A O no hydrogen 3.914 N/A LEU 219.A N ARG 206.A O no hydrogen 3.087 N/A ALA 220.A N GLU 223.A O no hydrogen 3.005 N/A ARG 221.A N ASP 204.A O no hydrogen 2.908 N/A GLU 223.A N ALA 220.A O no hydrogen 2.803 N/A ARG 225.A N CYS 218.A O no hydrogen 2.894 N/A ARG 225.A NE GLU 223.A OE1 no hydrogen 2.928 N/A ARG 225.A NH1 ASP 202.A O no hydrogen 3.221 N/A ARG 225.A NH2 ASP 202.A O no hydrogen 3.414 N/A ARG 225.A NH2 GLU 223.A OE1 no hydrogen 3.049 N/A LEU 227.A N PRO 216.A O no hydrogen 2.957 N/A THR 228.A N ASP 231.A OD2 no hydrogen 3.009 N/A THR 228.A OG1 SER 230.A OG no hydrogen 3.285 N/A SER 230.A OG THR 228.A OG1 no hydrogen 3.285 N/A ASP 231.A N THR 228.A OG1 no hydrogen 3.250 N/A TRP 232.A N THR 228.A O no hydrogen 2.966 N/A LYS 233.A N GLU 229.A O no hydrogen 3.155 N/A ILE 234.A N SER 230.A O no hydrogen 3.102 N/A ALA 235.A N ASP 231.A O no hydrogen 3.080 N/A ARG 236.A N TRP 232.A O no hydrogen 3.007 N/A ARG 236.A NH1 GLU 213.A OE1 no hydrogen 2.940 N/A ARG 236.A NH1 GLU 213.A OE2 no hydrogen 3.253 N/A ARG 236.A NH2 GLU 213.A OE2 no hydrogen 3.145 N/A GLN 237.A N LYS 233.A O no hydrogen 3.338 N/A GLN 237.A N ILE 234.A O no hydrogen 3.090 N/A ILE 238.A N ILE 234.A O no hydrogen 3.181 N/A GLY 239.A N ALA 235.A O no hydrogen 2.907 N/A THR 241.A N ILE 238.A O no hydrogen 2.872 N/A LEU 242.A N ILE 238.A O no hydrogen 3.217 N/A LYS 243.A N GLY 239.A O no hydrogen 2.984 N/A LYS 243.A NZ ASP 211.A OD1 no hydrogen 3.439 N/A LYS 243.A NZ ASP 211.A OD2 no hydrogen 3.294 N/A GLU 244.A N PRO 240.A O no hydrogen 3.112 N/A LYS 245.A N THR 241.A O no hydrogen 3.093 N/A LYS 245.A NZ ASP 121.A OD2 no hydrogen 3.249 N/A GLY 246.A N LYS 243.A O no hydrogen 3.103 N/A LEU 247.A N LEU 242.A O no hydrogen 2.853 N/A VAL 250.A N VAL 209.A O no hydrogen 3.065 N/A GLY 251.A N ASN 263.A O no hydrogen 2.982 N/A LEU 252.A N VAL 207.A O no hydrogen 2.826 N/A ASP 253.A N GLU 261.A O no hydrogen 2.958 N/A ILE 254.A N LYS 205.A O no hydrogen 2.875 N/A ILE 255.A N ARG 258.A O no hydrogen 2.919 N/A ARG 258.A N ILE 255.A O no hydrogen 3.012 N/A ARG 258.A NH1 ASP 257.A O no hydrogen 2.654 N/A ARG 258.A NH2 ASP 133.A O no hydrogen 2.761 N/A LEU 259.A N LEU 134.A O no hydrogen 2.803 N/A THR 260.A N ASP 253.A O no hydrogen 2.993 N/A THR 260.A OG1 ASP 253.A O no hydrogen 3.045 N/A ILE 262.A N GLU 124.A O no hydrogen 3.118 N/A ASN 263.A N GLY 251.A O no hydrogen 2.713 N/A VAL 264.A N GLU 124.A OE2 no hydrogen 2.957 N/A THR 265.A N GLU 124.A OE2 no hydrogen 2.974 N/A THR 265.A N ASN 263.A OD1 no hydrogen 3.271 N/A THR 265.A OG1 GLU 124.A OE2 no hydrogen 2.778 N/A THR 265.A OG1 ASN 263.A OD1 no hydrogen 3.474 N/A SER 266.A N ASN 263.A OD1 no hydrogen 3.246 N/A SER 266.A OG ARG 86.A O no hydrogen 2.692 N/A SER 266.A OG THR 265.A O no hydrogen 3.540 N/A THR 268.A OG1 SER 20.A OG no hydrogen 3.102 N/A CYS 269.A N THR 268.A OG1 no hydrogen 2.863 N/A ILE 270.A N SER 20.A OG no hydrogen 3.336 N/A ARG 271.A NH2 ILE 16.A O no hydrogen 3.034 N/A ARG 271.A NH2 GLN 61.A OE1 no hydrogen 2.764 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.786 N/A ILE 273.A N CYS 269.A O no hydrogen 3.318 N/A GLU 274.A N ILE 270.A O no hydrogen 2.952 N/A ALA 275.A N ARG 271.A O no hydrogen 3.197 N/A GLU 276.A N ILE 273.A O no hydrogen 3.371 N/A VAL 279.A N PHE 277.A O no hydrogen 2.888 N/A SER 280.A OG THR 282.A OG1 no hydrogen 3.405 N/A ILE 281.A N GLU 274.A OE2 no hydrogen 2.716 N/A THR 282.A N GLU 274.A OE2 no hydrogen 3.357 N/A THR 282.A OG1 SER 280.A OG no hydrogen 3.405 N/A GLY 283.A N SER 280.A OG no hydrogen 3.081 N/A MET 284.A N SER 280.A O no hydrogen 3.027 N/A LEU 285.A N ILE 281.A O no hydrogen 3.019 N/A MET 286.A N THR 282.A O no hydrogen 3.027 N/A ASP 287.A N GLY 283.A O no hydrogen 2.940 N/A ALA 288.A N MET 284.A O no hydrogen 3.051 N/A ILE 289.A N LEU 285.A O no hydrogen 2.879 N/A GLU 290.A N MET 286.A O no hydrogen 2.905 N/A ALA 291.A N ASP 287.A O no hydrogen 2.911 N/A ARG 292.A N ALA 288.A O no hydrogen 3.048 N/A ARG 292.A NH2 LYS 243.A O no hydrogen 3.563 N/A LEU 293.A N ILE 289.A O no hydrogen 2.901 N/A GLN 294.A N ALA 291.A O no hydrogen 3.116 N/A GLN 295.A N ARG 292.A O no hydrogen 3.238 N/A