Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gtt_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 3.A OD1 no hydrogen 2.696 N/A ALA 10.A N LYS 7.A O no hydrogen 3.068 N/A HIS 19.A N LEU 15.A O no hydrogen 3.311 N/A HIS 19.A N LEU 16.A O no hydrogen 2.873 N/A ALA 20.A N LEU 16.A O no hydrogen 3.118 N/A ASP 21.A N GLU 17.A O no hydrogen 3.173 N/A TYR 22.A N LYS 18.A O no hydrogen 2.919 N/A ILE 23.A N HIS 19.A O no hydrogen 2.908 N/A ALA 24.A N ALA 20.A O no hydrogen 2.826 N/A SER 25.A N ASP 21.A O no hydrogen 3.025 N/A TYR 26.A N ILE 23.A O no hydrogen 3.040 N/A SER 28.A OG SER 25.A O no hydrogen 3.163 N/A CYS 33.A SG ASP 29.A O no hydrogen 3.244 N/A MET 34.A N TYR 30.A O no hydrogen 3.246 N/A SER 35.A N TYR 32.A O no hydrogen 3.187 N/A SER 35.A OG GLU 31.A O no hydrogen 3.195 N/A SER 35.A OG TYR 32.A O no hydrogen 2.914 N/A LEU 38.A N SER 35.A O no hydrogen 2.963 N/A ARG 39.A N GLU 36.A O no hydrogen 3.051 N/A ARG 39.A NH1 SER 35.A OG no hydrogen 3.294 N/A ARG 39.A NH2 TYR 32.A O no hydrogen 2.574 N/A MET 40.A N ALA 80.A O no hydrogen 2.889 N/A SER 41.A N LEU 38.A O no hydrogen 2.942 N/A SER 41.A OG SER 93.A OG no hydrogen 2.791 N/A GLY 42.A N LEU 38.A O no hydrogen 2.922 N/A VAL 43.A N ARG 39.A O no hydrogen 2.828 N/A TYR 44.A N MET 40.A O no hydrogen 3.050 N/A TYR 44.A OH PHE 306.A O no hydrogen 3.298 N/A TYR 44.A OH CYS 307.A O no hydrogen 2.674 N/A TRP 45.A N SER 41.A O no hydrogen 2.855 N/A GLY 46.A N GLY 42.A O no hydrogen 3.170 N/A LEU 47.A N VAL 43.A O no hydrogen 2.978 N/A THR 48.A N TYR 44.A O no hydrogen 2.965 N/A THR 48.A OG1 TYR 44.A O no hydrogen 2.605 N/A VAL 49.A N TRP 45.A O no hydrogen 3.014 N/A MET 50.A N GLY 46.A O no hydrogen 3.044 N/A ASP 51.A N LEU 47.A O no hydrogen 2.919 N/A LEU 52.A N THR 48.A O no hydrogen 2.896 N/A MET 53.A N VAL 49.A O no hydrogen 3.134 N/A MET 53.A N MET 50.A O no hydrogen 3.094 N/A GLY 54.A N ASP 51.A O no hydrogen 3.218 N/A GLN 55.A N MET 50.A O no hydrogen 2.735 N/A GLN 55.A NE2 MET 53.A O no hydrogen 3.398 N/A ARG 58.A N GLN 55.A O no hydrogen 3.022 N/A ARG 58.A NH1 ASP 21.A OD2 no hydrogen 3.525 N/A ARG 58.A NH2 ASP 21.A OD2 no hydrogen 3.112 N/A MET 59.A N LEU 56.A O no hydrogen 2.932 N/A LYS 61.A NZ TYR 101.A O no hydrogen 3.266 N/A GLU 63.A N ASN 60.A OD1 no hydrogen 3.117 N/A ILE 64.A N ASN 60.A O no hydrogen 3.028 N/A LEU 65.A N LYS 61.A O no hydrogen 2.953 N/A VAL 66.A N GLU 62.A O no hydrogen 3.317 N/A PHE 67.A N GLU 63.A O no hydrogen 3.198 N/A ILE 68.A N ILE 64.A O no hydrogen 2.900 N/A LYS 69.A N LEU 65.A O no hydrogen 3.139 N/A LYS 69.A NZ VAL 106.A O no hydrogen 3.018 N/A SER 70.A N VAL 66.A O no hydrogen 3.134 N/A SER 70.A OG.A VAL 66.A O no hydrogen 3.274 N/A SER 70.A OG.A PHE 67.A O no hydrogen 2.604 N/A SER 70.A OG.B VAL 66.A O no hydrogen 2.980 N/A CYS 71.A N ILE 68.A O no hydrogen 2.892 N/A CYS 71.A SG PHE 67.A O no hydrogen 3.397 N/A GLN 72.A N LYS 69.A O no hydrogen 3.367 N/A GLN 72.A NE2 GLY 76.A O no hydrogen 2.890 N/A GLN 72.A NE2 ASN 108.A O no hydrogen 3.195 N/A HIS 73.A N GLY 77.A O no hydrogen 2.867 N/A HIS 73.A NE2 SER 79.A OG no hydrogen 3.075 N/A GLY 76.A N HIS 73.A O no hydrogen 2.988 N/A VAL 78.A N THR 91.A OG1 no hydrogen 2.972 N/A SER 79.A N CYS 71.A O no hydrogen 2.901 N/A SER 79.A OG CYS 71.A O no hydrogen 3.324 N/A SER 79.A OG HIS 73.A NE2 no hydrogen 3.075 N/A SER 79.A OG SER 81.A O no hydrogen 2.728 N/A SER 81.A OG GLU 36.A OE2 no hydrogen 3.367 N/A HIS 84.A N SER 81.A O no hydrogen 3.188 N/A HIS 87.A N VAL 78.A O no hydrogen 3.040 N/A LEU 88.A N GLY 128.A O no hydrogen 2.924 N/A THR 91.A N HIS 87.A O no hydrogen 2.985 N/A THR 91.A OG1 HIS 87.A O no hydrogen 2.898 N/A LEU 92.A N LEU 88.A O no hydrogen 2.926 N/A SER 93.A N LEU 89.A O no hydrogen 3.224 N/A SER 93.A OG SER 41.A OG no hydrogen 2.791 N/A SER 93.A OG LEU 89.A O no hydrogen 3.188 N/A ALA 94.A N TYR 90.A O no hydrogen 2.869 N/A VAL 95.A N THR 91.A O no hydrogen 3.089 N/A GLN 96.A N LEU 92.A O no hydrogen 2.801 N/A ILE 97.A N SER 93.A O no hydrogen 3.001 N/A LEU 98.A N ALA 94.A O no hydrogen 2.908 N/A THR 99.A N VAL 95.A O no hydrogen 2.911 N/A THR 99.A OG1 VAL 95.A O no hydrogen 2.636 N/A LEU 100.A N GLN 96.A O no hydrogen 2.867 N/A TYR 101.A N ILE 97.A O no hydrogen 3.019 N/A ASP 102.A N THR 99.A O no hydrogen 3.299 N/A SER 103.A N LEU 98.A O no hydrogen 2.826 N/A SER 103.A OG TYR 101.A O no hydrogen 2.698 N/A VAL 106.A N SER 103.A O no hydrogen 2.902 N/A ILE 107.A N ILE 104.A O no hydrogen 3.238 N/A ASN 108.A N GLN 72.A OE1 no hydrogen 3.035 N/A LYS 111.A N ASN 108.A O no hydrogen 3.128 N/A LYS 111.A NZ GLU 74.A O no hydrogen 2.905 N/A VAL 112.A N ASN 108.A O no hydrogen 3.106 N/A VAL 113.A N VAL 109.A O no hydrogen 3.161 N/A ALA 114.A N ASP 110.A O no hydrogen 3.143 N/A TYR 115.A N LYS 111.A O no hydrogen 2.930 N/A VAL 116.A N VAL 112.A O no hydrogen 2.925 N/A GLN 117.A N VAL 113.A O no hydrogen 2.961 N/A GLN 117.A NE2 ALA 154.A O no hydrogen 2.632 N/A SER 118.A N ALA 114.A O no hydrogen 2.955 N/A SER 118.A OG TYR 115.A O no hydrogen 2.587 N/A LEU 119.A N VAL 116.A O no hydrogen 2.998 N/A GLN 120.A N GLN 117.A O no hydrogen 3.401 N/A GLN 120.A NE2 GLY 124.A O no hydrogen 3.165 N/A GLN 120.A NE2 ASN 156.A O no hydrogen 2.879 N/A LYS 121.A N SER 125.A O no hydrogen 2.752 N/A GLY 124.A N LYS 121.A O no hydrogen 2.869 N/A SER 125.A N ASP 123.A OD1 no hydrogen 2.980 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 2.668 N/A ALA 127.A N LEU 119.A O no hydrogen 3.099 N/A GLY 128.A N GLU 133.A O no hydrogen 3.063 N/A TRP 131.A N ASP 129.A OD1 no hydrogen 2.772 N/A GLY 132.A N ASP 129.A O no hydrogen 3.189 N/A THR 136.A N CYS 176.A O no hydrogen 2.908 N/A THR 136.A OG1 GLY 175.A O no hydrogen 2.921 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 2.897 N/A ARG 137.A NE ASP 135.A OD2 no hydrogen 3.292 N/A ARG 137.A NH2 ASP 135.A OD2 no hydrogen 3.077 N/A PHE 138.A N ASP 135.A O no hydrogen 2.798 N/A PHE 140.A N THR 136.A O no hydrogen 3.145 N/A CYS 141.A N ARG 137.A O no hydrogen 2.960 N/A CYS 141.A SG ARG 137.A O no hydrogen 3.321 N/A ALA 142.A N PHE 138.A O no hydrogen 2.936 N/A VAL 143.A N SER 139.A O no hydrogen 3.142 N/A ALA 144.A N PHE 140.A O no hydrogen 2.843 N/A THR 145.A N CYS 141.A O no hydrogen 2.963 N/A THR 145.A OG1 CYS 141.A O no hydrogen 2.663 N/A LEU 146.A N ALA 142.A O no hydrogen 3.016 N/A ALA 147.A N VAL 143.A O no hydrogen 2.771 N/A LEU 148.A N ALA 144.A O no hydrogen 3.023 N/A LEU 149.A N THR 145.A O no hydrogen 3.285 N/A LEU 149.A N LEU 146.A O no hydrogen 3.138 N/A GLY 150.A N ALA 147.A O no hydrogen 3.295 N/A LYS 151.A N LEU 146.A O no hydrogen 2.769 N/A ALA 154.A N LYS 151.A O no hydrogen 3.015 N/A ILE 155.A N LEU 152.A O no hydrogen 3.327 N/A ASN 156.A N GLN 120.A OE1 no hydrogen 2.979 N/A LYS 159.A N ASN 156.A OD1 no hydrogen 3.218 N/A ALA 160.A N ASN 156.A O no hydrogen 3.040 N/A ILE 161.A N VAL 157.A O no hydrogen 2.777 N/A GLU 162.A N GLU 158.A O no hydrogen 2.956 N/A PHE 163.A N LYS 159.A O no hydrogen 3.034 N/A VAL 164.A N ALA 160.A O no hydrogen 3.232 N/A LEU 165.A N ILE 161.A O no hydrogen 2.921 N/A SER 166.A N GLU 162.A O no hydrogen 2.943 N/A SER 166.A OG PHE 163.A O no hydrogen 2.587 N/A CYS 167.A N VAL 164.A O no hydrogen 2.931 N/A CYS 167.A SG PHE 163.A O no hydrogen 3.508 N/A MET 168.A N LEU 165.A O no hydrogen 3.101 N/A ASN 169.A N GLY 173.A O no hydrogen 2.804 N/A ASN 169.A ND2 SER 180.A O no hydrogen 2.773 N/A ASN 169.A ND2 SER 182.A OG no hydrogen 2.930 N/A GLY 172.A N ASN 169.A O no hydrogen 2.964 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.106 N/A GLY 175.A N CYS 167.A O no hydrogen 3.400 N/A CYS 176.A SG ASP 135.A OD2 no hydrogen 3.293 N/A ARG 177.A N SER 180.A OG no hydrogen 3.222 N/A ARG 177.A NH1 ILE 134.A O no hydrogen 2.589 N/A SER 180.A N ARG 177.A O no hydrogen 2.929 N/A SER 180.A OG ARG 177.A O no hydrogen 3.148 N/A SER 182.A OG ASP 171.A OD1 no hydrogen 2.617 N/A SER 182.A OG ASP 171.A OD2 no hydrogen 3.311 N/A HIS 183.A N PHE 174.A O no hydrogen 3.295 N/A ALA 184.A N GLY 224.A O no hydrogen 2.904 N/A GLN 186.A NE2 ASP 135.A OD1 no hydrogen 3.470 N/A ILE 187.A N HIS 183.A O no hydrogen 2.888 N/A TYR 188.A N ALA 184.A O no hydrogen 2.855 N/A CYS 189.A N GLY 185.A O no hydrogen 3.195 N/A CYS 189.A SG.A GLY 185.A O no hydrogen 3.555 N/A CYS 189.A SG.B GLY 185.A O no hydrogen 3.706 N/A CYS 189.A SG.B GLN 186.A O no hydrogen 3.105 N/A CYS 190.A N GLN 186.A O no hydrogen 2.856 N/A CYS 190.A SG GLN 186.A O no hydrogen 3.351 N/A THR 191.A N ILE 187.A O no hydrogen 2.830 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.894 N/A THR 191.A OG1 TYR 188.A O no hydrogen 3.343 N/A GLY 192.A N TYR 188.A O no hydrogen 2.949 N/A PHE 193.A N CYS 189.A O no hydrogen 2.879 N/A LEU 194.A N CYS 190.A O no hydrogen 2.960 N/A ALA 195.A N THR 191.A O no hydrogen 2.911 N/A ILE 196.A N GLY 192.A O no hydrogen 3.129 N/A THR 197.A N PHE 193.A O no hydrogen 3.057 N/A THR 197.A OG1 PHE 193.A O no hydrogen 2.772 N/A SER 198.A N ALA 195.A O no hydrogen 3.192 N/A GLN 199.A N LEU 194.A O no hydrogen 2.682 N/A GLN 199.A NE2 THR 197.A O no hydrogen 3.521 N/A GLN 202.A N GLN 199.A O no hydrogen 2.981 N/A GLN 202.A NE2 GLN 199.A OE1 no hydrogen 2.454 N/A VAL 203.A N LEU 200.A O no hydrogen 3.032 N/A SER 205.A OG ILE 245.A O no hydrogen 3.390 N/A LEU 207.A N ASN 204.A OD1 no hydrogen 3.015 N/A LEU 208.A N ASN 204.A O no hydrogen 2.900 N/A GLY 209.A N SER 205.A O no hydrogen 2.803 N/A TRP 210.A N ASP 206.A O no hydrogen 3.199 N/A TRP 210.A NE1 GLU 214.A OE1 no hydrogen 3.055 N/A TRP 211.A N LEU 207.A O no hydrogen 3.167 N/A LEU 212.A N LEU 208.A O no hydrogen 2.868 N/A CYS 213.A N GLY 209.A O no hydrogen 2.882 N/A CYS 213.A SG TRP 210.A O no hydrogen 3.563 N/A GLU 214.A N TRP 210.A O no hydrogen 2.982 N/A ARG 215.A N LEU 212.A O no hydrogen 2.912 N/A ARG 215.A NE TRP 211.A O no hydrogen 2.921 N/A ARG 215.A NH1 ASN 223.A OD1 no hydrogen 3.397 N/A ARG 215.A NH2 TRP 211.A O no hydrogen 3.052 N/A GLN 216.A N CYS 213.A O no hydrogen 3.260 N/A GLN 216.A NE2 GLY 220.A O no hydrogen 3.006 N/A GLN 216.A NE2 ASP 252.A O no hydrogen 2.988 N/A LEU 217.A N GLY 221.A O no hydrogen 2.910 N/A SER 219.A N ASP 3.A OD2 no hydrogen 2.733 N/A SER 219.A OG ASP 3.A OD1 no hydrogen 2.626 N/A GLY 220.A N LEU 217.A O no hydrogen 2.738 N/A GLY 221.A N SER 219.A OG no hydrogen 3.350 N/A LEU 222.A N SER 235.A OG no hydrogen 3.192 N/A ASN 223.A N ARG 215.A O no hydrogen 3.007 N/A ASN 223.A ND2 LYS 228.A O no hydrogen 2.700 N/A ARG 225.A NH1 GLU 181.A OE2 no hydrogen 3.456 N/A ASP 231.A N LEU 222.A O no hydrogen 3.055 N/A VAL 232.A N ASP 273.A O no hydrogen 2.880 N/A CYS 233.A N ASP 231.A OD1 no hydrogen 2.942 N/A CYS 233.A SG ASP 231.A OD1 no hydrogen 3.064 N/A TYR 234.A N ASP 231.A OD1 no hydrogen 3.080 N/A SER 235.A N ASP 231.A O no hydrogen 2.940 N/A SER 235.A OG ASP 231.A O no hydrogen 2.907 N/A TRP 236.A N VAL 232.A O no hydrogen 3.213 N/A TRP 236.A NE1 TYR 188.A OH no hydrogen 3.263 N/A TRP 237.A N CYS 233.A O no hydrogen 2.917 N/A VAL 238.A N TYR 234.A O no hydrogen 2.941 N/A LEU 239.A N SER 235.A O no hydrogen 3.239 N/A ALA 240.A N TRP 236.A O no hydrogen 2.905 N/A SER 241.A N TRP 237.A O no hydrogen 3.167 N/A SER 241.A OG TRP 237.A O no hydrogen 2.809 N/A LEU 242.A N VAL 238.A O no hydrogen 2.904 N/A LYS 243.A N LEU 239.A O no hydrogen 2.887 N/A ILE 244.A N ALA 240.A O no hydrogen 3.003 N/A ILE 245.A N SER 241.A O no hydrogen 3.122 N/A ILE 245.A N LEU 242.A O no hydrogen 3.283 N/A GLY 246.A N LYS 243.A O no hydrogen 3.194 N/A ARG 247.A N LEU 242.A O no hydrogen 2.780 N/A ARG 247.A NE ASP 206.A OD2 no hydrogen 3.097 N/A ARG 247.A NH1 GLY 246.A O no hydrogen 3.351 N/A ARG 247.A NH2 ASP 206.A OD2 no hydrogen 2.760 N/A TRP 250.A N ARG 247.A O no hydrogen 2.916 N/A ILE 251.A N LEU 248.A O no hydrogen 3.359 N/A ASP 252.A N GLN 216.A OE1 no hydrogen 2.826 N/A LYS 255.A N ASP 252.A OD1 no hydrogen 2.989 N/A LYS 255.A NZ PRO 218.A O no hydrogen 2.552 N/A LEU 256.A N ASP 252.A O no hydrogen 3.104 N/A ARG 257.A N ARG 253.A O no hydrogen 2.901 N/A SER 258.A N GLU 254.A O no hydrogen 3.197 N/A SER 258.A OG GLU 254.A O no hydrogen 3.038 N/A PHE 259.A N LYS 255.A O no hydrogen 3.137 N/A ILE 260.A N LEU 256.A O no hydrogen 2.923 N/A LEU 261.A N ARG 257.A O no hydrogen 2.798 N/A ALA 262.A N SER 258.A O no hydrogen 2.970 N/A CYS 263.A N ILE 260.A O no hydrogen 3.012 N/A CYS 263.A SG PHE 259.A O no hydrogen 3.416 N/A CYS 263.A SG ASP 273.A O no hydrogen 3.916 N/A GLN 264.A N LEU 261.A O no hydrogen 3.091 N/A GLN 264.A NE2 HIS 19.A NE2 no hydrogen 2.730 N/A ASP 265.A N GLY 270.A O no hydrogen 3.056 N/A GLU 267.A N ASP 265.A OD2 no hydrogen 3.027 N/A THR 268.A N ASP 265.A OD2 no hydrogen 3.027 N/A THR 268.A OG1 GLY 269.A O no hydrogen 3.328 N/A GLY 269.A N ASP 265.A O no hydrogen 2.875 N/A GLY 270.A N HIS 19.A ND1 no hydrogen 2.991 N/A PHE 271.A N THR 284.A OG1 no hydrogen 2.980 N/A ALA 272.A N CYS 263.A O no hydrogen 3.054 N/A ARG 274.A NE PRO 230.A O no hydrogen 3.326 N/A ARG 274.A NH2 PRO 230.A O no hydrogen 3.444 N/A ASP 277.A N ARG 274.A O no hydrogen 3.157 N/A ASP 280.A N PHE 271.A O no hydrogen 3.092 N/A HIS 283.A N ASP 280.A OD1 no hydrogen 2.764 N/A HIS 283.A ND1 ASP 280.A OD1 no hydrogen 2.993 N/A HIS 283.A ND1 ASP 280.A OD2 no hydrogen 2.872 N/A THR 284.A N ASP 280.A O no hydrogen 3.088 N/A THR 284.A OG1 ASP 280.A O no hydrogen 2.713 N/A LEU 285.A N PRO 281.A O no hydrogen 2.927 N/A PHE 286.A N PHE 282.A O no hydrogen 3.135 N/A GLY 287.A N HIS 283.A O no hydrogen 2.908 N/A ILE 288.A N THR 284.A O no hydrogen 3.168 N/A ALA 289.A N LEU 285.A O no hydrogen 2.672 N/A GLY 290.A N PHE 286.A O no hydrogen 2.741 N/A LEU 291.A N GLY 287.A O no hydrogen 2.965 N/A SER 292.A N ILE 288.A O no hydrogen 3.061 N/A SER 292.A OG LYS 300.A O no hydrogen 2.831 N/A LEU 293.A N ALA 289.A O no hydrogen 3.145 N/A LEU 294.A N GLY 290.A O no hydrogen 3.010 N/A GLY 295.A N SER 292.A O no hydrogen 2.950 N/A GLU 296.A N LEU 291.A O no hydrogen 3.098 N/A GLN 298.A N GLU 296.A OE2 no hydrogen 2.761 N/A ILE 299.A N GLU 296.A O no hydrogen 3.300 N/A LYS 300.A N LEU 52.A O no hydrogen 2.857 N/A LYS 300.A NZ ASP 51.A O no hydrogen 2.975 N/A LYS 300.A NZ ASP 51.A OD2 no hydrogen 3.175 N/A LYS 300.A NZ GLU 311.A OE2 no hydrogen 2.915 N/A SER 303.A N MET 308.A O no hydrogen 2.843 N/A VAL 305.A N SER 303.A OG no hydrogen 3.107 N/A PHE 306.A N SER 303.A OG no hydrogen 2.985 N/A CYS 307.A N SER 303.A O no hydrogen 2.949 N/A GLU 310.A N PRO 301.A O no hydrogen 2.927 N/A LEU 313.A N PRO 309.A O no hydrogen 3.467 N/A GLN 314.A N GLU 310.A O no hydrogen 2.834 N/A ARG 315.A N GLU 311.A O no hydrogen 3.124 N/A ARG 315.A NH1 THR 99.A O no hydrogen 3.281 N/A ARG 315.A NH2 THR 99.A O no hydrogen 2.951 N/A VAL 316.A N VAL 312.A O no hydrogen 3.250 N/A ASN 317.A N GLN 314.A O no hydrogen 3.223 N/A VAL 318.A N LEU 313.A O no hydrogen 3.061 N/A VAL 323.A N ILE 244.A O no hydrogen 2.864 N/A